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Dr Alexander Evteev

Research Associate

School of Engineering

Career Summary

Biography

Research Expertise
Computational materials science, focusing on atomistic modelling of materials

Qualifications

  • PhD, Voronezh State Technical University

Keywords

  • Atomistic Modelling of Materials
  • Computational Materials Science
  • Condensed Matter Physics
  • Defects and Diffusion
  • Mass and Thermal Transport
  • Materials Science
  • Mechanics
  • Mechanics of Solids
  • Numerical Analysis
  • Phase Transitions
  • Probability and Statistics
  • Structure
  • Thermodynamics and Kinetics

Languages

  • Russian (Fluent)

Fields of Research

Code Description Percentage
010299 Applied Mathematics not elsewhere classified 30
020499 Condensed Matter Physics not elsewhere classified 40
091299 Materials Engineering not elsewhere classified 30

Professional Experience

UON Appointment

Title Organisation / Department
Research Associate University of Newcastle
School of Engineering
Australia

Academic appointment

Dates Title Organisation / Department
1/01/2006 -  Research Associate

Mechanical Engineering

University of Newcastle
School of Engineering
Australia
1/10/2002 - 1/01/2006 Faculty (Docent) Voronezh State Technical University
Department of Materials Science and Metal Physics
Russian Federation
1/09/2002 - 1/10/2004 Senior Lecturer in Materials Science and Engineering Voronezh State Technical University
Department of Materials Science and Metal Physics
Russian Federation
1/01/2000 - 1/09/2002 Lecturer in Materials Science and Engineering Voronezh State Technical University
Department of Materials Science and Metal Physics
Russian Federation
1/05/1999 - 1/01/2002 Faculty (Lecturer) Voronezh State Technical University
Department of Materials Science and Metal Physics
Russian Federation

Membership

Dates Title Organisation / Department
1/01/2013 -  Membership - Journal of Computational Materials Science Journal of Computational Materials Science
Australia
1/01/2011 -  Membership - American Nano Society (ANS) American Nano Society (ANS)
United States

Awards

Recognition

Year Award
2004 Young Scientist Prize
Voronezh Region Council

Research Award

Year Award
2006 Doctor of Science (Physics and Mathematics)
Higher Attestation Commission of the Ministry of Education and Science of Russian Federation (http://vak.ed.gov.ru)
2002 Young Scientist Fellowship
Voronezh Region Council

Invitations

Participant

Year Title / Rationale
2012 International Conference on Emerging Advanced Nanomaterials (ICEAN-2012), Brisbane, Australia
Organisation: Molecular Dynamics Simulation of Surface Segregation, Diffusion and Reaction Phenomena in NiAl Nanosytems Description: Invited Lecture
2011 7th International conference on Diffusion in Solids and Liquids (DSL-2011), Algarve, Portugal
Organisation: Special session on Molecular Dynamics Simulation of Diffusion and Related Processes Description: Invited by the scientific committee of the 7th International conference on Diffusion in Solids and Liquids (June 2011, Algarve, Portugal) to head the special session “Molecular dynamics simulation of diffusion and related processes” at the conference and he gave the opening talk at the special session.
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Publications

For publications that are currently unpublished or in-press, details are shown in italics.

Highlighted Publications

Year Citation Altmetrics Link
2015 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Two-fluid nature of phonon heat conduction in a monatomic lattice', Philosophical Magazine, (2015)

The thermal resistance of a crystal lattice with a monatomic unit cell due to three-phonon scattering processes is investigated in detail theoretically. A general expression for t... [more]

The thermal resistance of a crystal lattice with a monatomic unit cell due to three-phonon scattering processes is investigated in detail theoretically. A general expression for the lattice thermal conductivity is derived from a combined analysis based on: (i) the Boltzmann equation and (ii) data on the heat current autocorrelation function obtained via molecular dynamics simulations in conjunction with the Green¿Kubo formalism. It is argued that the phonon gas in a monatomic lattice conducts heat as if it consisted of two distinct parts (two ¿thermal fluids¿), so that the lattice thermal conductivity can be decomposed into contributions from these two parts. The origin of the behaviour of the phonon gas, which is explored in the present work, is due to an intrinsic interplay between Umklapp and normal three-phonon scattering processes. New insight into the nature of the lattice thermal conductivity is demonstrated and the results of the present work are in agreement with previous studies in this area.

DOI 10.1080/14786435.2015.1065020
Co-authors Elena Levchenko, Irina Belova, Graeme Murch

Book (1 outputs)

Year Citation Altmetrics Link
2005 Evteev AV, Kosilov AT, Levchenko EV, Computer Simulation in Condensed Matter Physics (translated title), Voronezh State Technical University, Voronezh, Russia, 110 (2005) [A1]

Chapter (3 outputs)

Year Citation Altmetrics Link
2013 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Computer Simulation of Diffusion and Reaction in Metallic Nanoparticles', New Frontiers of Nanoparticles and Nanocomposite Materials, Springer, New York 31-59 (2013) [B1]
DOI 10.1007/8611_2011_60
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2003 Evteev AV, 'Investigation of Structure of Liquids and Amorphous Solids', Methods for Investigation of Materials Structure and Substructure, Second Edition, Voronezh State Technical University, Voronezh, Russia (2003) [B1]
2001 Evteev AV, 'Investigation of Structure of Liquids and Amorphous Solids', Methods for Investigation of Materials Structure and Substructure, Voronezh State Technical University, Voronezh, Russia (2001) [B1]

Journal article (87 outputs)

Year Citation Altmetrics Link
2015 Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni50Al50 melt: case analysis of the influence of the process on the kinetics of solidification', PHILOSOPHICAL MAGAZINE, 95 90-111 (2015)
DOI 10.1080/14786435.2014.984006
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2015 Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni 50Al 50 melt: Case analysis of the influence of the process on the kinetics of solidification', Philosophical Magazine, 95 90-111 (2015)

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed i... [more]

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for the intermetallic alloy. The phonon-mediated contribution to the thermal conductivity of the liquid alloy is calculated at equilibrium as well as for the steady state. The relative magnitude of the thermal conductivity decrease induced by the transition to the steady state is estimated to be less than 2% below 2000 K and less than 1% at 3000 and 4000 K. It is also found that the phonon-mediated contribution to the thermal conductivity of the liquid alloy can be accurately estimated (well within 1%) on the basis of an approximation which invokes the straightforwardly accessible microscopic expression for the total heat flux without demanding calculations of the partial enthalpies needed for the precise evolution of the reduced heat flux (pure heat conduction). On the basis of these calculations, the correspondence between the experimentally observed and modelled kinetics of solidification due to a difference in thermal conductivity is discussed.

DOI 10.1080/14786435.2014.984006
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2015 Ahmed T, Belova IV, Evteev AV, Levchenko EV, Murch GE, 'Comparison of the Sauer-Freise and Hall Methods for Obtaining Interdiffusion Coefficients in Binary Alloys', Journal of Phase Equilibria and Diffusion, (2015)

In the present paper (1) the Hall method (HM) (specifically designed for determining the interdiffusion coefficient at the low and high composition limits of the corresponding int... [more]

In the present paper (1) the Hall method (HM) (specifically designed for determining the interdiffusion coefficient at the low and high composition limits of the corresponding interdiffusion composition profile) is further developed in order to be applied to the whole composition profile resulting in the Extended Hall method (EHM); (2) A comparative study of the HM, EHM, Boltzmann-Matano (BM) and Sauer and Freise (SF) methods is performed using composition profiles generated by computer simulation. The results clearly indicate that the HM/EHM technique is only applicable when the interdiffusion coefficient is constant (i.e. independent of composition) or almost constant at the low composition regions. In all other cases, the BM and SF methods give the best agreement with the input interdiffusion function even at the ends of the composition profiles.

DOI 10.1007/s11669-015-0392-4
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2015 Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni 50Al 50 melt: Case analysis of the influence of the process on the kinetics of solidification', Philosophical Magazine, 95 90-111 (2015)

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed i... [more]

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for the intermetallic alloy. The phonon-mediated contribution to the thermal conductivity of the liquid alloy is calculated at equilibrium as well as for the steady state. The relative magnitude of the thermal conductivity decrease induced by the transition to the steady state is estimated to be less than 2% below 2000 K and less than 1% at 3000 and 4000 K. It is also found that the phonon-mediated contribution to the thermal conductivity of the liquid alloy can be accurately estimated (well within 1%) on the basis of an approximation which invokes the straightforwardly accessible microscopic expression for the total heat flux without demanding calculations of the partial enthalpies needed for the precise evolution of the reduced heat flux (pure heat conduction). On the basis of these calculations, the correspondence between the experimentally observed and modelled kinetics of solidification due to a difference in thermal conductivity is discussed.

DOI 10.1080/14786435.2014.984006
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2015 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Two-fluid nature of phonon heat conduction in a monatomic lattice', Philosophical Magazine, (2015)

The thermal resistance of a crystal lattice with a monatomic unit cell due to three-phonon scattering processes is investigated in detail theoretically. A general expression for t... [more]

The thermal resistance of a crystal lattice with a monatomic unit cell due to three-phonon scattering processes is investigated in detail theoretically. A general expression for the lattice thermal conductivity is derived from a combined analysis based on: (i) the Boltzmann equation and (ii) data on the heat current autocorrelation function obtained via molecular dynamics simulations in conjunction with the Green¿Kubo formalism. It is argued that the phonon gas in a monatomic lattice conducts heat as if it consisted of two distinct parts (two ¿thermal fluids¿), so that the lattice thermal conductivity can be decomposed into contributions from these two parts. The origin of the behaviour of the phonon gas, which is explored in the present work, is due to an intrinsic interplay between Umklapp and normal three-phonon scattering processes. New insight into the nature of the lattice thermal conductivity is demonstrated and the results of the present work are in agreement with previous studies in this area.

DOI 10.1080/14786435.2015.1065020
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Vibrational contribution to thermal transport in liquid cooper: Equilibrium molecular dynamics study', Computational Materials Science, 96 229-236 (2014) [C1]

The vibrational contribution to the thermal transport properties of liquid Cu is investigated in detail in the temperature range 1300-1800 K. The calculations are performed in the... [more]

The vibrational contribution to the thermal transport properties of liquid Cu is investigated in detail in the temperature range 1300-1800 K. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for Cu. It is found that the temporal decay of the heat current autocorrelation function of the liquid Cu model can be described by a single exponential function, which is characterized in the studied temperature range by a constant value of the heat flux relaxation time of about 0.059 ps. The vibrational thermal conductivity of the liquid Cu model slightly decreases with temperature from about 1.1 W/(mK) at 1300 K to about 1 W/(mK) at 1800 K. Near the melting temperature it is about 30% lower than the vibrational thermal conductivity of the f.c.c Cu model. The calculated thermal diffusivity of the liquid Cu model is demonstrated to retain a constant value of about 2.7 × 10-7 m2/s in the studied temperature range, which is about two orders of magnitude higher than the atomic diffusivity in the model at the melting temperature. The vibrational contribution to the total thermal conductivity of liquid Cu is found to slightly decrease with temperature, being estimated as about 0.7-0.5% in the temperature range of 1400-1800 K. Furthermore, the applicability of some simple theoretical treatments of vibrational thermal transport in liquid Cu is discussed.

DOI 10.1016/j.commatsci.2014.09.028
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2014 Sowa P, Biborski A, Kozubski R, Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Semigrand Canonical and Kinetic Monte Carlo simulations of binary B2-ordered nano-films with triple defects', Intermetallics, 55 40-48 (2014) [C1]

Equilibrium atomic configurations and the kinetics of "order- order" and surface segregation processes in B2-ordering stoichiometric A-50 at.%B binary thin films are investigated ... [more]

Equilibrium atomic configurations and the kinetics of "order- order" and surface segregation processes in B2-ordering stoichiometric A-50 at.%B binary thin films are investigated by means of Semigrand Canonical Monte Carlo (SGCMC) and Kinetic Monte Carlo (KMC) simulations. The (100)-oriented films are modeled with an Ising-type Hamiltonian with previously evaluated pair-interaction energy parameters yielding the effect of "triple-defect disordering". The SGCMC simulations provide equilibrium vacancy concentration and atomic configuration in the films with B-atom termination of both free surfaces achieved at high temperatures by the generation of an antiphase boundary. Despite strong vacancy surface segregation, the thermodynamic activation energy for their formation inside the films is the same as in the bulk material. KMC simulations implemented with the SGCMC-determined equilibrium vacancy concentration reveal very slow relaxation of the films towards equilibrium configuration. The B-termination of the (100) free surfaces is produced by A-atom diffusion inwards into the films mediated by vacancies segregating on surfaces. © 2014 Elsevier Ltd. All rights reserved.

DOI 10.1016/j.intermet.2014.07.002
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics prediction of phonon-mediated thermal conductivity of f.c.c. Cu', Philosophical Magazine, 94 731-751 (2014) [C1]

The phonon-mediated thermal conductivity of f.c.c. Cu is investigated in detail in the temperature range 40-1300 K. The calculations are performed in the framework of equilibrium ... [more]

The phonon-mediated thermal conductivity of f.c.c. Cu is investigated in detail in the temperature range 40-1300 K. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for Cu. It is found that the temporal decay of the heat current autocorrelation function (HCACF) of the Cu model at low and intermediate temperatures demonstrate a more complex behaviour than the two-stage decay observed previously for the f.c.c. Ar model. After the first stage of decay, it demonstrates a peak in the temperature range 40-800 K. A decomposition model of the HCACF is introduced. In the framework of that model we demonstrate that a classical description of the phonon thermal transport in the Cu model can be used down to around one quarter of the Debye temperature (about 90 K). Also, we find that above 300 K the thermal conductivity of the Cu model varies with temperature more rapidly than, following an exponent close to -1.4 in agreement with previous calculations on the Ar model. Phonon thermal conductivity of Cu is found to be about one order of magnitude higher than Ar. The phonon contribution to the total thermal conductivity of Cu can be estimated to be about 0.5% at 1300 K and about 10% at 90 K. © 2013 © 2013 Taylor & Francis.

DOI 10.1080/14786435.2013.861090
Citations Scopus - 4Web of Science - 4
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2014 Evteev AV, Levchenko EV, Belova IV, Kozubski R, Liu Z-K, Murch GE, 'Thermotransport in binary system: Case study on Ni50Al50 melt', Philosophical Magazine, 94 3574-3602 (2014) [C1]

The formalism of thermotransport in a binary system is analysed. Focus is put on a detailed consideration of the heat of transport parameter characterizing diffusion driven by a t... [more]

The formalism of thermotransport in a binary system is analysed. Focus is put on a detailed consideration of the heat of transport parameter characterizing diffusion driven by a temperature gradient. We introduce the reduced heat of transport parameter, which characterizes part of the interdiffusion flux that is proportional to the temperature gradient. In an isothermal system represents the reduced heat flow (pure heat conduction) consequent upon unit interdiffusion flux. It is demonstrated that is independent of reference frame and is useful in a practical way for direct comparison of simulation and experimental data from different sources obtained in different reference frames. In the case study of the liquid Ni50Al50 alloy, we use equilibrium molecular dynamics simulations in conjunction with the Green-Kubo formalism to evaluate the heat transport properties of the model within the temperature range of 1500-4000 K. Our results predict that in the presence of a temperature gradient Ni tends to diffuse from the cold end to the hot end whilst Al tends to diffuse from the hot end to the cold end.

DOI 10.1080/14786435.2014.965236
Citations Scopus - 1Web of Science - 1
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Decomposition model for phonon thermal conductivity of a monatomic lattice', Philosophical Magazine, 94 3992-4014 (2014)
DOI 10.1080/14786435.2014.969351
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2014 Evteev AV, Momenzadeh L, Levchenko EV, Belova IV, Murch GE, 'Decomposition model for phonon thermal conductivity of a monatomic lattice', Philosophical Magazine, 94 3992-4014 (2014) [C1]

An analytical treatment of decomposition of the phonon thermal conductivity of a crystal with a monatomic unit cell is developed on the basis of a two-stage decay of the heat curr... [more]

An analytical treatment of decomposition of the phonon thermal conductivity of a crystal with a monatomic unit cell is developed on the basis of a two-stage decay of the heat current autocorrelation function observed in molecular dynamics simulations. It is demonstrated that the contributions from the acoustic short-and long-range phonon modes to the total phonon thermal conductivity can be presented in the form of simple kinetic formulas, consisting of products of the heat capacity and the average relaxation time of the considered phonon modes as well as the square of the average phonon velocity. On the basis of molecular dynamics calculations of the heat current autocorrelation function, this treatment allows for a self-consistent numerical evaluation of the aforementioned variables. In addition, the presented analysis allows, within the Debye approximation, for the identification of the temperature range where classical molecular dynamics simulations can be employed for the prediction of phonon thermal transport properties. As a case example, Cu is considered.

DOI 10.1080/14786435.2014.969351
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2014 Evteev AV, Levchenko EV, Momenzadeh L, Sohn Y, Belova IV, Murch GE, 'Molecular dynamics study of phonon-mediated thermal transport in a Ni50Al50 melt: case analysis of the influence of the process on the kinetics of solidification', Philosophical Magazine, (2014)

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed i... [more]

The phonon-mediated contribution to the thermal transport properties of liquid NiAl alloy is investigated in detail over a wide temperature range. The calculations are performed in the framework of equilibrium molecular dynamics making use of the Green¿Kubo formalism and one of the most reliable embedded-atom method potentials for the intermetallic alloy. The phonon-mediated contribution to the thermal conductivity of the liquid alloy is calculated at equilibrium as well as for the steady state. The relative magnitude of the thermal conductivity decrease induced by the transition to the steady state is estimated to be less than 2% below 2000¿K and less than 1% at 3000 and 4000¿K. It is also found that the phonon-mediated contribution to the thermal conductivity of the liquid alloy can be accurately estimated (well within 1%) on the basis of an approximation which invokes the straightforwardly accessible microscopic expression for the total heat flux without demanding calculations of the partial enthalpies needed for the precise evolution of the reduced heat flux (pure heat conduction). On the basis of these calculations, the correspondence between the experimentally observed and modelled kinetics of solidification due to a difference in thermal conductivity is discussed.

DOI 10.1080/14786435.2014.984006
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2014 Murch GE, Evteev AV, Levchenko EV, Belova IV, Liu Z-K, Kozubski R, 'Theoretical study of the heat of transport in a liquid Ni50Al50 alloy: Green-Kubo approach', Diffusion Foundations, 2 159-189 (2014) [C1]
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2013 Levchenko EV, Evteev AV, Lorscheider T, Belova IV, Murch GE, 'Molecular dynamics simulation of alloying in an Al-coated Ti nanoparticle', Computational Materials Science, 79 316-325 (2013) [C1]
DOI 10.1016/j.commatsci.2013.06.005
Citations Scopus - 2Web of Science - 2
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2013 Levchenko EV, Evteev AV, Yavari AR, Louzguine-Luzgin DV, Belova IV, Murch GE, 'A structural model for surface-enhanced stabilization in some metallic glass formers', PHILOSOPHICAL MAGAZINE LETTERS, 93 50-57 (2013) [C1]
DOI 10.1080/09500839.2012.729960
Citations Scopus - 1Web of Science - 1
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2013 Momenzadeh L, Evteev AV, Levchenko EV, Belova IV, Murch GE, Sohn Y, 'Phonon thermal conductivity of f.c.c. Cu by molecular dynamics simulation', Defect and Diffusion Forum, 336 169-184 (2013) [C1]
DOI 10.4028/www.scientific.net/DDF.336.169
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2013 Prizhimov AS, Ievlev VM, Evteev AV, 'Molecular dynamics simulation of the heteroepitaxial growth of Cu-Pd solid solution films on Pd(001)', Physics of the Solid State, 55 213-219 (2013) [C1]

The specific features of the heteroepitaxial growth of Cu-Pd solid solution films on the (001) surface of a Pd crystal at temperatures of 600 and 1000 K have been investigated usi... [more]

The specific features of the heteroepitaxial growth of Cu-Pd solid solution films on the (001) surface of a Pd crystal at temperatures of 600 and 1000 K have been investigated using the molecular dynamics simulation. The condensation from a two-component flow has been simulated by a sequential deposition of Cu and Pd atoms with concentrations of 60 at % Cu and 40 at % Pd by portions of 0. 1 ML, which corresponds to an effective deposition rate of ~3. 3 × 109 ML/s. It has been established that there is a coherent conjugation of the crystal lattices of the film and the substrate. The growth is accompanied by the formation of an intermediate solid solution monolayer phase: the phase is formed in the first layer of the film at a temperature of 600 K and in the upper layer of the substrate at 1000 K. © 2013 Pleiades Publishing, Ltd.

DOI 10.1134/S1063783413010265
2013 Dunaev DG, Kosilov AT, Evteev AV, Levchenko EV, 'Structure change of the Cu64Zr36 metallic glass in the conditions of uniaxial deformation', Glass Physics and Chemistry, 39 155-161 (2013) [C1]
DOI 10.1134/S1087659613020065
Co-authors Elena Levchenko
2013 Sowa P, Kozubski R, Biborski A, Levchenko EV, Evteev AV, Belova IV, et al., 'Self-diffusion and order-order kinetics in B2-ordering AB binary systems with a tendency for triple-defect formation: Monte Carlo simulation', Philosophical Magazine, 93 1987-1998 (2013) [C1]

Self-diffusion of component atoms and order-order relaxations in a B2-ordering binary system AB showing a tendency for triple-defect formation were consistently simulated by means... [more]

Self-diffusion of component atoms and order-order relaxations in a B2-ordering binary system AB showing a tendency for triple-defect formation were consistently simulated by means of two Monte Carlo techniques. In view of a strict correlation between antisite-defect and vacancy concentrations the Kinetic Monte Carlo (KMC) simulations were implemented with a temperature-dependent vacancy concentration determined by means of Semi-Grand Canonical Monte Carlo (SGCMC) simulations. The Ising model of the system was completed with local-configuration-dependent saddle-point energy parameters related to vacancy mediated atomic jumps. The simulations elucidated the atomistic origin of the experimentally observed low rate of order-order relaxations in NiAl, as well as reproduced the experimental relation between the activation energies for order-order kinetics and Ni self-diffusion in NiAl. Higher value of the deduced activation energy for atomic migration with respect to the effective energy barriers related to individual atomic jumps indicated their high correlation. © 2013 Taylor & Francis Group, LLC.

DOI 10.1080/14786435.2012.742591
Citations Scopus - 2Web of Science - 2
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2012 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems', Physics of Metals and Metallography, 113 1202-1243 (2012) [C1]
Citations Scopus - 1Web of Science - 1
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2012 Hossain MF, Evteev AV, Belova IV, Nowotny J, Murch GE, 'First-principles calculations of a corrugated anatase TiO2 surface', Computational Materials Science, 51 78-82 (2012) [C1]
Citations Scopus - 1Web of Science - 1
Co-authors Graeme Murch, Irina Belova
2012 Levchenko EV, Evteev AV, Loewisch G, Belova IV, Murch GE, 'Molecular dynamics simulation of alloying in a Ti-coated Al nanoparticle', Intermetallics, 22 193-202 (2012) [C1]
Citations Scopus - 10Web of Science - 10
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2012 Levchenko EV, Evteev AV, Hossain MF, Belova IV, Murch GE, 'Structural stability and energy of a Pd2Ni Nanofilm: Ab initio calculations', Journal of Nanoscience and Nanotechnology, 12 8205-8210 (2012) [C1]
Citations Scopus - 1Web of Science - 1
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2012 Hossain MF, Evteev AV, Belova IV, Nowotny J, Murch GE, 'Structural, electronic and optical properties of titania nanotubes', Advances in Applied Ceramics, 111 72-93 (2012) [C1]
Citations Scopus - 3Web of Science - 3
Co-authors Graeme Murch, Irina Belova
2012 Hossain FM, Evteev AV, Belova IV, Nowotny J, Murch GE, 'Structural, electronic and optical properties of titania nanotubes', Energy Materials: Materials Science and Engineering for Energy Systems, 7 72-93 (2012) [C3]

This review paper describes primarily recent theoretical calculations with some supporting experimental findings on titania nanotubes. Nanotubes with different types and sizes are... [more]

This review paper describes primarily recent theoretical calculations with some supporting experimental findings on titania nanotubes. Nanotubes with different types and sizes are discussed in detail in terms of existing theoretical and experimental achievements. Both classical and quantum mechanical simulations are focused on. The properties of these nanotubes have been treated within first principle density functional electronic structure simulation methods. In this paper, we pay particular attention to computational aspects, but when appropriate, relationships with experimental results on titania nanostructures will be mentioned. First, the structural properties of titania nanotubes are reviewed, focusing from experimental growth mechanism to possible theoretical stable structure and orientation. Second, the electronic structure of nanotubes is discussed in terms of band gap modifications of titania and photocatalytic efficiencies in photoelectrochemical devices. Finally, current computational limitations and future directions are described with respect to the performances of nanotube titania based photosensitive devices. © 2012 Institute of Materials, Minerals and Mining Published by Maney on behalf of the Institute.

Co-authors Irina Belova, Graeme Murch
2011 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics simulation of diffusion in a (110) B2-NiAl film', Intermetallics, 19 848-854 (2011) [C1]
DOI 10.1016/j.intermet.2011.01.010
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2011 Evteev AV, Levchenko EV, Hagel FA, Belova IV, Murch GE, 'Molecular dynamics study of reaction pathways in an Al-coated Ni nanoparticle', Intermetallics, 19 934-941 (2011) [C1]
DOI 10.1016/j.intermet.2011.02.012
Citations Scopus - 9Web of Science - 10
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2011 Korol AV, Kosilov AT, Milenin AV, Evteev AV, Levchenko EV, 'Structural organization in the Cu(80)Zr(20) metallic glass', Journal of Experimental and Theoretical Physics, 112 1013-1019 (2011) [C1]
Co-authors Elena Levchenko
2011 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics determination of the time-temperature-transformation diagram for crystallization of an undercooled liquid Ni50A150 alloy', Acta Materialia, 59 6412-6419 (2011) [C1]
Citations Scopus - 7Web of Science - 7
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2011 Levchenko EV, Evteev AV, Kozubski R, Belova IV, Murch GE, 'Molecular dynamics simulation of surface segregation in a (110) B2-NiAl thin film', Physical Chemistry Chemical Physics, 13 1214-1221 (2011) [C1]
DOI 10.1039/C0CP00376J
Citations Scopus - 5Web of Science - 5
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2010 Levchenko EV, Evteev AV, Vakhmin SY, Kosilov AT, Pryadil'Shchikov AY, 'Cluster model of the structural organization of amorphous iron', Physics of Metals and Metallography, 109 563-567 (2010) [C1]
DOI 10.1134/S0031918X10060013
Citations Scopus - 2Web of Science - 2
Co-authors Elena Levchenko
2010 Levchenko EV, Evteev AV, Riley DP, Belova IV, Murch GE, 'Molecular dynamics simulation of the alloying reaction in Al-coated Ni nanoparticle', Computational Materials Science, 47 712-720 (2010) [C1]
DOI 10.1016/j.commatsci.2009.10.014
Citations Scopus - 29Web of Science - 28
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2010 Levchenko EV, Evteev AV, Beck DR, Belova IV, Murch GE, 'Molecular dynamics simulation of the thermophysical properties of an undercooled liquid Ni50Al50 alloy', Computational Materials Science, 50 465-473 (2010) [C1]
DOI 10.1016/j.commatsci.2010.09.006
Citations Scopus - 12Web of Science - 12
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2010 Murch GE, Hossain MF, Evteev AV, Belova IV, Nowotny J, 'Electronic and optical properties of anatase TiO2 nanotubes', Computational Materials Science, 48 854-858 (2010) [C1]
DOI 10.1016/j.commatsci.2010.04.007
Citations Scopus - 21Web of Science - 18
Co-authors Graeme Murch, Irina Belova
2010 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics study of density, surface energy and self-diffusion in a liquid Ni50Al50 alloy', Computational Materials Science, 50 331-337 (2010) [C1]
DOI 10.1016/j.commatsci.2010.08.022
Citations Scopus - 8Web of Science - 8
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Formation of a hollow binary alloy nanosphere: A kinetic Monte Carlo study', Journal of Nano Research, 7 11-17 (2009) [C1]
DOI 10.4028/www.scientific.net/jnanor.7.11
Citations Scopus - 7Web of Science - 8
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2009 Belova IV, Evteev AV, Levchenko EV, Murch GE, 'The synthesis, stability and shrinkage of hollow nanoparticles: An overview', Journal of Nano Research, 7 19-26 (2009) [C1]
DOI 10.4028/www.scientific.net/jnanor.7.19
Citations Scopus - 3Web of Science - 3
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2009 Murch GE, Evteev AV, Levchenko EV, Belova IV, 'Recent progress in the simulation of diffusion associated with hollow and bi-metallic nanoparticles', Diffusion Fundamentals, 11 1-22 (2009) [C1]
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2009 Evteev AV, Levchenko EV, Riley DP, Belova IV, Murch GE, 'Reaction of a Ni-coated Al nanoparticle to form B2-NiAl: A molecular dynamics study', Philosophical Magazine Letters, 89 815-830 (2009) [C1]
DOI 10.1080/09500830903321384
Citations Scopus - 19Web of Science - 19
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Composition effect on shrinkage of hollow binary alloy nanospheres', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 289-292 665-672 (2009) [C1]
DOI 10.4028/www.scientific.net/ddf.289-292.665
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2009 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Surface-sandwich segregation phenomena in bimetallic Ag-Ni and Pd-Ni nanoparticles: A molecular dynamics study', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 289-292 657-664 (2009) [C1]
DOI 10.4028/www.scientific.net/ddf.289-292.657
Citations Scopus - 1Web of Science - 1
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2009 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Carbon diffusion in cementite: A molecular dynamics study', Diffusion and Defect Data: Pt A. Defect and Diffusion Forum, 283-286 24-29 (2009) [C1]
DOI 10.4028/3-908454-50-6.24
Citations Scopus - 2Web of Science - 2
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2009 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics simulation and theoretical analysis of carbon diffusion in cementite', Acta Materialia, 57 846-853 (2009) [C1]
DOI 10.1016/j.actamat.2008.10.025
Citations Scopus - 13Web of Science - 9
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Interdiffusion and surface-sandwich ordering in initial Ni-core-Pd-shell nanoparticle', Physical Chemistry Chemical Physics, 11 3233-3240 (2009) [C1]
DOI 10.1039/b822112j
Citations Scopus - 12Web of Science - 12
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2008 Pryadilshchikov AY, Kosilov AT, Evteev AV, Levchenko EV, 'Structural organization of icosahedral coordination polyhedra in a molecular dynamics model of the Ni60Ag40 metallic glass', Journal of Experimental and Theoretical Physics, 107 430-434 (2008) [C1]
DOI 10.1134/s1063776108090100
Citations Scopus - 3Web of Science - 3
Co-authors Elena Levchenko
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Shrinking kinetics by vacancy diffusion of hollow binary alloy nanospheres driven by the Gibbs-Thomson effect', Philosophical Magazine, 88 1525-1541 (2008) [C1]
DOI 10.1080/14786430802213413
Citations Scopus - 8Web of Science - 8
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Theoretical analysis and atomistic modelling of diffusion and stability of pure element hollow nanospheres and nanotubes', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 277 21-26 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.277.21
Citations Scopus - 6Web of Science - 5
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Theoretical studies of diffusion kinetics in austenite', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 273-276 455-460 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.273-276.455
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Atomic mechanism of carbon diffusion in cementite', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 277 101-106 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.277.101
Citations Scopus - 2Web of Science - 2
Co-authors Graeme Murch, Elena Levchenko, Irina Belova
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Modelling of the formation of Pd-Ni alloy nanoparticles by interdiffusion', Diffusion and Defect Data. Pt A: Defect and Diffusion Forum, 277 207-212 (2008) [C1]
DOI 10.4028/www.scientific.net/DDF.277.207
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2008 Evteev AV, Ievlev VM, Kosilov AT, Prizhimov AS, 'Regularity of self-organization of the atomic structure of the interphase boundary in a crystal-nanoparticle heterosystem', Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques, 2 127-132 (2008) [C1]
DOI 10.1134/s1027451008010199
Citations Scopus - 2Web of Science - 2
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Stability and shrinkage by diffusion of hollow nanotubes', Diffusion and Defect Data. Pt A Defect and Diffusion Forum, 266 39-47 (2007) [C1]
DOI 10.4028/www.scientific.net/DDF.266.39
Citations Scopus - 4Web of Science - 4
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2007 Pryadilshchikov AY, Kosilov AT, Evteev AV, Levchenko EV, 'Molecular-Dynamics study of the Ni60Ag40 binary alloy glass transition', JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 105 1184-1189 (2007) [C1]
DOI 10.1134/S1063776107120096
Citations Scopus - 3Web of Science - 7
Co-authors Elena Levchenko
2007 Evteev AV, Ievlev VM, Kosilov AT, Prizhimov AS, 'Relaxed atomic structure of the interphase boundary in a 'hemispherical nanoparticle-crystal' heterogeneous system', Physics of the Solid State, 49 785-790 (2007) [C1]
DOI 10.1134/s1063783407040312
Citations Scopus - 1
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of carbon diffusion in cementite', Diffusion Fundamentals, 15.1-15.2 (2007) [C1]
Co-authors Graeme Murch, Elena Levchenko, Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of diffusion in palladium hollow nanosphere and nanotubes', Diffusion Fundamentals, 19.1-19.2 (2007) [C1]
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Formation of a surface-sandwich structure in Pd-Ni nanoparticles by interdiffusion: Atomistic modelling', Diffusion Fundamentals, 18.1-18.2 (2007) [C1]
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Analytical and kinetic Monte-Carlo study shrinkage by vacancy diffusion of hollow nanospheres and nanotubes', Diffusion Fundamentals, 17.1-17.2 (2007) [C1]
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Carbon diffusion in austenite: Computer simulation and theoretical analysis', Diffusion Fundamentals, 16.1-16.2 (2007) [C1]
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Kinetic and molecular dynamics analysis of carbon diffusion in austenite', Philosophical Magazine, 87 4335-4357 (2007) [C1]
DOI 10.1080/14786430701530982
Citations Scopus - 2Web of Science - 1
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Shrinking kinetics by vacancy diffusion of a pure element hollow nanosphere', Philosophical Magazine, 87 3787-3796 (2007) [C1]
DOI 10.1080/14786430601103005
Citations Scopus - 19Web of Science - 19
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Stability of hollow nanospheres: A molecular dynamics study', Solid State Phenomena: Proceedings of the Symposium: Multiscale Kinetic Modelling of Materials, 125-130 (2007) [C1]
Citations Scopus - 5Web of Science - 6
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2006 Evteev AV, Ievlev VM, Kosilov AT, Prizhimov AS, 'Orientation dependence of the heteroepitaxial growth of Ni films on Pd', PHYSICS OF METALS AND METALLOGRAPHY, 101 577-584 (2006) [C1]
DOI 10.1134/S0031918X06060093
Citations Scopus - 1Web of Science - 1
2006 Evteev AV, Kosilov AT, Levchenko EV, Logachev OB, 'Influence of liquid-glass transition on diffusion and nucleation in computer-simulated iron', DIFFUSION IN SOLIDS - PAST, PRESENT AND FUTURE, 249 97-104 (2006) [C1]
Citations Scopus - 4Web of Science - 4
Co-authors Elena Levchenko
2006 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular Dynamics Study of Carbon Diffusion in Austenite', Defect and Diffusion Forum, 258-260 253-258 (2006) [C1]
DOI 10.4028/www.scientific.net/DDF.258-260.253
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2006 Dmitriev AA, Evteev AV, Ievlev VM, Kosilov AT, Levchenko EV, 'Simulation of the oriented crystallisation of Cu/Pd(001) amorphous film', Solid State Phenomena, 115 311-314 (2006) [C1]
DOI 10.4028/www.scientific.net/ssp.115.311
Co-authors Elena Levchenko
2006 Evteev AV, Kosilov AT, Levchenko EV, Logachev OB, 'Kinetics of isothermal nucleation in a supercooled iron melt', PHYSICS OF THE SOLID STATE, 48 815-820 (2006) [C1]
DOI 10.1134/S1063783406050015
Citations Scopus - 17Web of Science - 20
2005 Evteev AV, Kosilov AT, Levchenko EV, Logachev OB, 'The influence of the icosahedral percolation transition in supercooled liquid iron on the diffusion mobility of atoms', JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 101 521-527 (2005) [C1]
DOI 10.1134/1.2103221
Citations Scopus - 12Web of Science - 13
Co-authors Elena Levchenko
2005 Dmitriev AA, Evteev AV, Ievlev VM, Kosilov AT, 'Molecular-dynamics simulation of the oriented crystallization of an Ni amorphous film on a singular Pd(001) surface', PHYSICS OF METALS AND METALLOGRAPHY, 100 129-133 (2005) [C1]
Citations Scopus - 1Web of Science - 1
2005 Evteev AV, Ievlev VM, Kosilov AT, Prizhimov AS, 'Molecular-dynamics simulation of hydrogen diffusion in Pd', PHYSICS OF METALS AND METALLOGRAPHY, 100 179-181 (2005) [C1]
2004 Evteev AV, Kosilov AT, Levchenko EV, 'Atomic mechanisms of pure iron vitrification', Zhurnal Eksperimental'noj i Teoreticheskoj Fiziki, 126 600-608 (2004) [C1]
Citations Scopus - 6
2004 Dmitriev AA, Evteev AV, Ievlev VM, Kosilov AT, 'Structural self-organization in a metallic heterogeneous system crystal-monolayered film with large component dimensional misfit', Doklady Akademii Nauk, 396 328-331 (2004)

In the framework of molecular dynamic modeling using multiparticle potentials calculated on the basis of submerged atom method, in the system Ni monolayer on (001) Pd singular sur... [more]

In the framework of molecular dynamic modeling using multiparticle potentials calculated on the basis of submerged atom method, in the system Ni monolayer on (001) Pd singular surface it is shown that due to structural-morphologic transformations and diffusive exchange of locations between Ni and Pd atoms formed is the heterostructure: (001) Pd-monolayer of solid solution 75%Ni-25%Pd-monolayer of solid solution 79%Pd-21%Ni. Formation of two adjacent solid solutions' monolayers allows their coherent conjugation via elastic deformation and explains pseudo-metamorphism of subnanometer-thickness films at large component dimensional misfit in initial heterostructure.

2004 Dmitriev AA, Evteev AV, Ievlev VM, Kosilov AT, 'Structural self-organization in a (crystal-monolayer film) metallic heterogeneous system with large dimensional discrepancy between the components', DOKLADY PHYSICS, 49 292-295 (2004) [C1]
DOI 10.1134/1.1763619
Citations Scopus - 4Web of Science - 4
2004 Evteev AV, Kosilov AT, Levchenko EV, 'Atomic mechanisms of pure iron vitrification', JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 99 522-529 (2004) [C1]
DOI 10.1134/1.1809680
Citations Scopus - 21Web of Science - 26
Co-authors Elena Levchenko
2004 Evteev AV, Kosilov AT, Solyanik SA, 'Atomic mechanisms and kinetics of self-diffusion on the Pd(001) surface', PHYSICS OF THE SOLID STATE, 46 1781-1784 (2004) [C1]
DOI 10.1134/1.1799201
Citations Scopus - 6Web of Science - 6
2003 Evteev AV, Kosilov AT, Levtchenko EV, 'Atomic mechanisms of formation and structure relaxation of Fe83M17 (M : C, B, P) metallic glass', ACTA MATERIALIA, 51 2665-2674 (2003) [C1]
DOI 10.1016/S1359-6454(03)00076-4
Citations Scopus - 25Web of Science - 22
Co-authors Elena Levchenko
2003 Dmitriev AA, Evteev AV, Kosilov AT, 'Application of the embedded-atom method of simulation of crystallization and melting of thin copper film', Poverkhnost Rentgenovskie Sinkhronnye i Nejtronnye Issledovaniya, 91-96 (2003)
2003 Dmitriev AA, Evteev A, Kosilov AT, 'Application of the Embedded Atom Method for the Modeling of Crystallization and Melting of Copper Thin Film', Surface, 5 74-78 (2003) [C3]
2002 Evteev AV, Kosilov AT, Levchenko EV, 'Crystallization, melting, and glassification of a model metallic alloy Fe95C5 upon ultrarapid heating and quenching', Fizika Metallov i Metallovedenie, 94 5-9 (2002)

Molecular dynamics was used to study the structural and phase transformations of the model of an initially amorphous Fe95C5 alloy upon ultrarapid heating and cooling at an average... [more]

Molecular dynamics was used to study the structural and phase transformations of the model of an initially amorphous Fe95C5 alloy upon ultrarapid heating and cooling at an average rate of ¿ 6.6×1011 K/s. Upon heating from 1140 to 1200 K, the model system was found to undergo crystallization with the formation of an interstitial solid solution of carbon in a-Fe. The model system melts at T = 1800-1900 K. Upon subsequent cooling, the alloy is glassified at T =1020 K. The energy of the homogeneous formation of a crystallization center (¿0.79 eV) in the bulk of the amorphous phase of the Fe95C5 alloy was calculated by the model of the activation-energy spectrum.

2002 Evteev AV, Kosilov AT, Levchenko EV, 'Structural model for vitrification of pure metals', JETP LETTERS, 76 104-106 (2002) [C1]
DOI 10.1134/1.1510067
Citations Scopus - 11Web of Science - 14
Co-authors Elena Levchenko
2002 Evteev AV, Kosilov AT, Levchenko EV, 'Crystallization, melting, and glassification of a model metallic alloy Fe95C5 upon ultrarapid heating and quenching', PHYSICS OF METALS AND METALLOGRAPHY, 94 119-123 (2002) [C1]
Co-authors Elena Levchenko
2002 Evteev AV, Kosilov AT, Levchenko EV, 'Atomic short-range order in Fe-C amorphous metal alloys', IZVESTIYA AKADEMII NAUK SERIYA FIZICHESKAYA, 66 802-805 (2002) [C1]
Co-authors Elena Levchenko
2001 Evteev AB, Kosilov AT, 'Effect of atom dimension of metalloid on structure of metallic glasses Fe83M17 (M: C, B, P)', Rasplavy, 82-92 (2001) [C1]

An information about structure of short-range ordering the amorphous Fe-based alloys, capable to vitrification, and its dependence on atom size of metalloid is obtained via comput... [more]

An information about structure of short-range ordering the amorphous Fe-based alloys, capable to vitrification, and its dependence on atom size of metalloid is obtained via computer experiment. The latter is carried out by the example of Fe83M17 (M: C, B, P) amorphous alloy with composition close to eutectic one by using the methods of molecular dynamics of static relaxation. A local atomic structure of systems is investigated with the help of statistical-and-geometrical analysis, based on the Voronov's radical polyhedron.

Citations Scopus - 1
2001 Evteev AV, Kosilov AT, Milenin AV, 'Phase and structural transformations in a molecular dynamics model of iron under ultrafast heating and cooling', PHYSICS OF THE SOLID STATE, 43 2284-2289 (2001) [C1]
DOI 10.1134/1.1427958
Citations Scopus - 7Web of Science - 9
2000 Evteev AV, Kosilov AT, Milenin AV, 'Computer simulation of the crystallization of amorphous iron under isochronous annealing conditions', JETP LETTERS, 71 201-203 (2000) [C1]
DOI 10.1134/1.568315
Citations Scopus - 4Web of Science - 6
1998 Evteev AV, Kosilov AT, 'Simulation of liquid and amorphous iron', Rasplavy, 55-61 (1998) [C1]

Structure and thermodynamic properties of liquid and amorphous iron in the process of isochoric cooling with average rate equal to 1013 K/s are investigated by molecular dynamics ... [more]

Structure and thermodynamic properties of liquid and amorphous iron in the process of isochoric cooling with average rate equal to 1013 K/s are investigated by molecular dynamics and continuous static relaxation methods. The molecular dynamics model (MDM) contains 2000 atoms with empirical pair potential chosen from the elastic properties of a-iron. Step-by-step cooling MDM of melt under dynamic conditions with greater number of particles permits to take into account the processes of local rearrangement of amorphous iron structure under quenching.

Citations Scopus - 3
1998 Evteev A, Kosilov AT, 'A Software of Molecular Dynamics and Static Relaxation Methods for the Simulation of the Structure of Disordered Systems and Results of its Application for Fe83B17 Alloy', Seria Materialovedenie, 1 4-11 (1998) [C1]
Show 84 more journal articles

Conference (45 outputs)

Year Citation Altmetrics Link
2010 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Monte Carlo simulation of hollow sphere formation by the Kirkendall effect in a core-shell diffusion couple with an ordering tendency', 1st International Conference. Reaction Kinetics in Condensed Matter (RKCM). Book of Abstracts, Moscow, Russia (2010) [E3]
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2010 Levchenko EV, Evteev AV, Hagel FA, Belova IV, Murch GE, 'Atomistic simulation of self-heating reactions in Al-coated Ni nanoparticles', 1st International Conference. Reaction Kinetics in Condensed Matter (RKCM). Book of Abstracts, Moscow, Russia (2010) [E3]
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2010 Evteev AV, Levchenko EV, Beck DR, Belova IV, Murch GE, 'Molecular dynamics simulation of liquid Ni50Al50 alloy', European Materials Research Society: Fall Meeting, E-MRS 2010, Warsaw, Poland (2010) [E3]
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2010 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Molecular dynamics study of diffusion and surface segregation in Ni-Al nanoparticles and thin films', European Materials Research Society: Fall Meeting, E-MRS 2010, Warsaw, Poland (2010) [E3]
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2010 Evteev AV, Levchenko EV, Riley DP, Belova IV, Murch GE, 'Molecular dynamics simulation of reactions forming Ni-Al nanoparticles', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2010 Levchenko EV, Evteev AV, Belova IV, Murch GE, 'Pd2Ni surface-sandwich ordering at the nanoscale: Atomistic simulations and first-principles calculations', TMS Annual Meeting. Final Program, Washington, DC (2010) [E3]
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Monte Carlo simulation of the formation and shrinkage of hollow binary alloy nanospheres', International Conference and Exhibition on Materials and AustCeram 2009: Program and Abstracts, Surfers Paradise, QLD (2009) [E3]
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2009 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Prediction of Pd2Ni surface-sandwich ordering at the nanoscale', International Conference and Exhibition on Materials and AustCeram 2009: Program and Abstracts, Surfers Paradise, QLD (2009) [E3]
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2009 Murch GE, Evteev AV, Levchenko EV, Belova IV, 'Diffusion and reaction in nanoparticles simulation studies', International Symposium on Thermodynamics and Transport Kinetics of Nanostructured Materials (TTk), Castle Nordkirchen, Germany (2009) [E3]
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2008 Belova IV, Murch GE, Evteev AV, Levchenko EV, 'A combined molecular dynamics and Monte Carlo calculation of the chemical diffusivity in cementite (Fe3C)', Abstracts of DIMAT 2008: 7th International Conference on Diffusion in Materials, Lanzarote, Canary Islands (2008) [E3]
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Phenomenological analysis and Monte Carlo simulation of diffusion in hollow binary alloy nanospheres', Scientific Programme and Book of Abstracts E-MRS 2008 Fall Meeting, Warsaw, Poland (2008) [E3]
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2008 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of formation by interdiffusion of Pd-Ni and Ag-Ni nanoparticles', Scientific Programme and Book of Abstracts E-MRS 2008 Fall Meeting, Warsaw, Poland (2008) [E3]
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Phenomenological and atomistic study of the shrinking kinetics of hollow nanospheres and nanotubes', ARNAM 2007 Annual Workshop. Conference Booklet, Kioloa, NSW (2007) [E3]
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Effect of surface segregation on the structure of Pd-Ni alloy nanoparticles', ARNAM 2007 Annual Workshop. Conference Booklet, Kioloa, NSW (2007) [E3]
Co-authors Graeme Murch, Irina Belova, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Hollow nanospheres and nanotubes: Diffusion and stability', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
Co-authors Irina Belova, Graeme Murch, Elena Levchenko
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Surface segregation in bimetallic Pd-Ni Nanoparticles: a molecular dynamics study', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
Co-authors Elena Levchenko, Irina Belova, Graeme Murch
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Recent simulation and analytical findings on carbon diffusion processes in austenite', DIFTRANS-07. 4th International Workshop. Diffusion and Diffusional Phase Transformations in Alloys. Abstract Booklet, Sofiyivka, Ukraine (2007) [E3]
Co-authors Elena Levchenko, Graeme Murch, Irina Belova
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Hollow nanospheres and nanotubes: diffusion and stability', IX International Work shop on Diffusion and Diffusion Phase Transformations in Alloys, Cherkassy (2007) [E3]
2007 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Surface Segregation in Bimetallic Pd-Ni Nanoparticles: a Molecular Dynamics Study', IX International Work shop on Diffusion and Diffusion Phase Transformations in Alloys, Cherkassy (2007) [E3]
2007 Belova IV, Evteev AV, Levchenko EV, Murch GE, 'The formation, stability and shrinkage of hollow nanocrystalline structures', NMD-ATM 2007. 61st Annual Technical Meeting. Programme and Abstracts, Mumbai, India (2007) [E3]
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2007 Deich DB, Evteev AV, Kosilov AT, Levchenko EV, 'Structure Organization in the Model of Amorphous Alloy Fe83P17', Proceedings of V International Conference Nonlinear Processes and Problems of Self-organization in Modern Materials Science, Voronezh, Russia (2007) [E1]
2007 Mikhailov EA, Evteev AV, Kosilov AT, Levchenko EV, Milivanchuk AA, 'Equilibrium Structure of the Small Pd Clusters', Proceedings of the VII International Conference on Chemistry of Solid State and Advanced Micro- and Nanotechnology, Kislovodsk, Stavropol, Russia (2007) [E1]
2007 Mikhailov EA, Evteev AV, Kosilov AT, Levchenko EV, Boldyrev IV, Prosvirin VV, 'Structure Transformations in the Cu-Pd Bimetallic Nanoclusters', Proceedings of the VII International Conference on Chemistry of Solid State and Advanced Micro- and Nanotechnology, Kislovodsk, Stavropol, Russia (2007) [E3]
2007 Mikhailov EA, Evteev AV, Kosilov AT, Levchenko EV, Boldyrev IV, Prosvirin VV, 'Prosvirin, Structure Transformations in the Cu-Pd Bimetallic Nanoclusters', Proceedings of the VII International Conference on Chemistry of Solid State and Advanced Micro- and Nanotechnology, Kislovodsk (2007) [E3]
2006 Evteev AV, Levchenko EV, Belova IV, Murch GE, 'Molecular dynamics study of carbon diffusion in austenite', Diffusion in Solids and Liquids, Univ Aveiro, Aveiro, PORTUGAL (2006) [E1]
Co-authors Irina Belova, Elena Levchenko, Graeme Murch
2006 Dmitriev AA, Evteev AV, Ievlev VM, Kosilov AT, Levchenko EV, 'Simulation of the oriented crystallisation of Cu/Pd(001) amorphous film', MECHANICAL SPECTROSCOPY III, Cracow, POLAND (2006) [E1]
2005 Evteev AV, Kosilov AT, Levchenko EV, Logachev OB, 'Influence of the Icosahedral Percolation Transition in the Supercooled Liquid Metals on Diffusion Atomic Mobility', Diffusion in Solids: Past, Present and Future, International Conference on Diffusion in Solids (DiSo-05), Moscow, Russia (2005) [E1]
2005 Evteev AV, Kosilov AT, Levchenko EV, Solyanik SA, 'Influence of surface orientation on self-diffusion of Pd-adatoms', Diffusion in Solids: Past, Present and Future, International Conference on Diffusion in Solids (DiSo-05), Moscow, Russia (2005) [E1]
2005 Dunaev DG, Evteev AV, Kosilov AT, Levchenko EV, 'Computer simulation of uniaxial deformation of bulk amorphous alloy Cu64Zr36', Proceedings of the 11th All Russian Scientific Conference of Students in Physics and Young Scientists (VNKSF-11), Yekaterinburg, Russia (2005) [E1]
2004 Evteev AV, Kosilov AT, Levchenko EV, 'Structure Relaxation and Processes of Self Organization during Glass Transition of Metals and Metal-Metalloid Alloys', Abstracts of the XXI International Conference Relaxation Phenomena in Solids, Voronezh, Russia (2004) [E1]
2004 Evteev AV, Kosilov AT, Levchenko EV, Solyanik SA, 'Relay-Race Mechanism of the Adatoms Surface Diffusion', International conference on Crystal Growth (ICCG-14), Grenoble, France (2004) [E3]
2004 Dimitriev AA, Evteev AV, Levlev VM, Kosilov AT, Levchenko EV, 'Molecular Dynamic Study of the Oriented Crystallisation in Cu/Pd (001) System', International conference on Crystal Growth (ICCG-14), Grenoble, France (2004) [E1]
2004 Evteev AV, Kosilov AT, Levchenko EV, 'Structural transformations during glass transition in metals', Proceedings of V International Conference Nonlinear Processes and Problems of Self-organization in Modern Materials Science, Voronezh, Russia (2004) [E1]
2004 Evteev AV, Kosilov AT, Levchenko EV, Solyanik SA, 'Relay-Race Mechanism of the Adatoms Surface Diffusion', Proceedings on, International conference on Crystal Growth (ICCG-14), Grenoble (2004) [E3]
2003 Evteev AV, Kosilov AT, Levchenko EV, 'Molecular Dynamic Studies of Crystallisation in Pure Metal', Proceeding of the 7th International Symposium on Crystallization in Glasses and Liquids, Sheffield, UK (2003) [E1]
2002 Evteev AV, Kosilov AT, Levchenko EV, 'Structural Models of the Fe-M (M: C, B, P) Metallic Glasses', Proceeding of 11th international Conference on Rapidly Quenched and Metastable Materials, Oxford, UK (2002) [E1]
2002 Evteev AV, Kosilov AT, Levchenko EV, Pryadilshikov AY, 'Local Atomic Ordering in Amorphous Metallic Alloys Fe83M17 (M: C. B, P)', Proceedings of the International Symposium Phase Transitions in Solid Solutions and Alloys, Sochi, Russia (2002) [E1]
2002 Evteev AV, Kosilov AT, Levchenko EV, 'Structural Self-Organization under Glass Formation of Pure Metals', Voronezh (2002) [E1]
2002 Evteev AV, Kosilov AT, Levchenko EV, 'Analysis of Structural Transformation during Glass Transition of Pure Metals within the framework of Percolation Theory', Astrakhan (2002) [E1]
2001 Evteev AV, Kosilov AT, Levchenko EV, 'Influence of Carbon Concentration on the Atomic Structure of Fe-C Metallic Glasses, Proceedings of the 22nd Riso International Symposium on Materials Science', Science of Metastable and Nanocrystalline Alloys: Structure, Properies and Modelling, Roskilde, Denmark (2001) [E1]
2000 Evteev AV, Kosilov AT, Levchenko EV, 'Local Atomic structure of the Fe-M (M: C, B, P) Metallic Glasses According to the data of Computer Experiment', Abstracts of 5th International Conferences on Nanostructured materials (Nano-2000), Sendai (2000) [E3]
2000 Evteev AV, Kosilov AT, Levchenko EV, 'Molecular Dynamic Simulation of crystallization process in Fe95C5 aloy', Abstracts of IX National Conference on Crystal Growth, Moscow (2000) [E3]
2000 Evteev AV, Kosilov AT, Levchenko EV, 'Crystallization of Amorphous Alloy Fe95C5 under Superfast Heating (Computer Experiment)', Abstracts of International Scientific conference Kinetics and Mechanisms of Crystallisatio, Ivanovo (2000) [E3]
2000 Dmitriev AA, Evteev AV, Kosilov AT, Levchenko EV, 'Simulation of Crystallization of Amorphous Alloys of Fe-C System', Proceedings of III All-Russian Seminar Nonlinear Processes and Problems of Self-organization in Modern Materials Scienc, Voronezh (2000) [E3]
2000 Evteev AV, Kosilov AT, Levchenko EV, 'Simulation of Atomic Structure of Metallic Glasses Fe-M (M: C, B, P)', Proceedings of the Symposium on Mathematical Simulation in Hard and Human Sciences, Voronezh (2000) [E3]
Show 42 more conferences

Thesis / Dissertation (2 outputs)

Year Citation Altmetrics Link
2005 Evteev AV, Atomic mechanisms and kinetics of glass formation, and homogeneous and oriented crystallisation of metallic systems, (2005) [T4]
1999 Evteev AV, Structure and structural relaxation of Fe and Fe83M17 (M: C, B, P) metallic glasses according to the data of the computer experiment, (1999) [T3]
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Grants and Funding

Summary

Number of grants 9
Total funding $109,170

Click on a grant title below to expand the full details for that specific grant.


20141 grants / $1,500

European Materials Research Society Meeting (Symposium K Computer modelling in nanoscience and nanotechnology), Warsaw Poland, 15-19 September 2014$1,500

Funding body: University of Newcastle - Faculty of Engineering & Built Environment

Funding body University of Newcastle - Faculty of Engineering & Built Environment
Project Team Doctor Alexander Evteev
Scheme Travel Grant
Role Lead
Funding Start 2014
Funding Finish 2014
GNo G1400668
Type Of Funding Internal
Category INTE
UON Y

20122 grants / $21,700

Development of Wire Explosion Technology for the Synthesis of Nanoparticles$20,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev
Scheme Near Miss Grant
Role Investigator
Funding Start 2012
Funding Finish 2012
GNo G1200670
Type Of Funding Internal
Category INTE
UON Y

International Conference on Emerging Advanced Nanomaterials (ICEAN-2012), Brisbane, Queensland, 22 - 25 October 2012$1,700

Funding body: University of Newcastle - Faculty of Engineering & Built Environment

Funding body University of Newcastle - Faculty of Engineering & Built Environment
Project Team Doctor Alexander Evteev
Scheme Travel Grant
Role Lead
Funding Start 2012
Funding Finish 2012
GNo G1200904
Type Of Funding Internal
Category INTE
UON Y

20111 grants / $1,500

7th International Conference in Solids and Liquids (DSL - 2011), Algarve, Portugal, 26/06/11 - 30/06/11$1,500

Funding body: University of Newcastle - Faculty of Engineering & Built Environment

Funding body University of Newcastle - Faculty of Engineering & Built Environment
Project Team Doctor Alexander Evteev
Scheme Travel Grant
Role Lead
Funding Start 2011
Funding Finish 2011
GNo G1100302
Type Of Funding Internal
Category INTE
UON Y

20101 grants / $20,000

Atomic-Scale Modelling of the Paradigm-Shifting Technology for the Carburization of Austenitic Steels using Colossal Carbon Supersaturation$20,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Doctor Alexander Evteev, Doctor Elena Levchenko, Professor Andreas Oechsner
Scheme Near Miss Grant
Role Lead
Funding Start 2010
Funding Finish 2010
GNo G0900213
Type Of Funding Internal
Category INTE
UON Y

20092 grants / $61,070

2009 Near Miss Grant for DP0985268, DP0984793, DP0985799$60,000

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Professor Irina Belova, Doctor Thomas Fiedler, Professor Andreas Oechsner, Professor Graeme Murch, Doctor Elena Levchenko, Doctor Alexander Evteev
Scheme Near Miss Grant
Role Investigator
Funding Start 2009
Funding Finish 2009
GNo G0189820
Type Of Funding Internal
Category INTE
UON Y

Materials and AustCeram 2009, Surfers Paradise, QLD, 30 June - 4 July 2009.$1,070

Funding body: University of Newcastle - Faculty of Engineering & Built Environment

Funding body University of Newcastle - Faculty of Engineering & Built Environment
Project Team Doctor Alexander Evteev
Scheme Travel Grant
Role Lead
Funding Start 2009
Funding Finish 2009
GNo G0190396
Type Of Funding Internal
Category INTE
UON Y

20081 grants / $1,700

7th International Conference on Diffusion in materials (DIMAT 2008), Hotel Beatriz-Costa Teguise, Lanzarote Canary Islands, Spain, 28/10/2008 - 31/10/2008$1,700

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Doctor Alexander Evteev
Scheme Travel Grant
Role Lead
Funding Start 2008
Funding Finish 2008
GNo G0189322
Type Of Funding Internal
Category INTE
UON Y

20071 grants / $1,700

4th International workshop Diffusion and Diffusional Phase Transformations in Alloys, Ukraine, 15/7/2007 - 21/7/2007$1,700

Funding body: University of Newcastle

Funding body University of Newcastle
Project Team Doctor Alexander Evteev
Scheme Travel Grant
Role Lead
Funding Start 2007
Funding Finish 2007
GNo G0187844
Type Of Funding Internal
Category INTE
UON Y
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Research Supervision

Number of supervisions

Completed0
Current3

Total current UON EFTSL

PhD0.7

Current Supervision

Commenced Level of Study Research Title / Program / Supervisor Type
2015 PhD Modelling of Thermotransport in Engineering Materials
Mechanical Engineering, Faculty of Engineering and Built Environment, The University of Newcastle
Co-Supervisor
2014 PhD Interdiffusion and Thermotransport in Engineering Materials.
Mechanical Engineering, Faculty of Engineering and Built Environment, The University of Newcastle
Co-Supervisor
2012 PhD Prediction of Phonon Thermal Conductivity of Materials by Molecular Dynamics Simulation
Mechanical Engineering, Faculty of Engineering and Built Environment, The University of Newcastle
Co-Supervisor
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Dr Alexander Evteev

Position

Research Associate
Centre for Mass and Thermal Transport in Engineering Materials
School of Engineering
Faculty of Engineering and Built Environment

Contact Details

Email alexander.evteev@newcastle.edu.au
Phone (02) 4921 6208
Fax (02) 4921 6946

Office

Room ES431
Building ES
Location Callaghan
University Drive
Callaghan, NSW 2308
Australia
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