ЕИ

Е. И. Головнева

Institute of Theoretical and Applied Mechanics

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ИФ

И. Ф. Головнев

Institute of Theoretical and Applied Mechanics

ВМ

В. М. Фомин

Institute of Theoretical and Applied Mechanics

ВМ

В. М. Фомин

Institute of Theoretical and Applied Mechanics

АВ

А. В. Уткин

Institute of Theoretical and Applied Mechanics

L. A. Merzhievsky

Lavrentyev Institute of Hydrodynamics

АМ

А. М. Игошкин

Institute of Semiconductor Physics

A. M. Demianenko

Institute of Theoretical and Applied Mechanics

ВЕ

В. Е. Панин

National Research Tomsk State University

ИК

И. К. Игуменов

Vasily Fomi

Institute of Theoretical and Applied Mechanics

Cooperative Institutions

Russian Academy of Sciences

Institute of Theoretical and Applied Mechanics

Novosibirsk State University

Siberian Branch of the Russian Academy of Sciences

Novosibirsk State Technical University

Lavrentyev Institute of Hydrodynamics

Czech Academy of Sciences, Institute of Hydrodynamics

Novosibirsk Tuberculosis Research Institute

Nikolaev Institute of Inorganic Chemistry

Budker Institute of Nuclear Physics

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Молекулярно-динамический анализ динамического разрушения наноструктур

Физическая мезомеханика (2003)

Е. И. Головнева И. Ф. Головнев В. М. Фомин

In this paper by a molecular dynamics method the dynamic fracture of copper nanoclusters was investigated at the constant free-boundary velocity varying within a wide range. Qualitative characteristics of fracture were obtained, and the criteria of nanostructure dynamic fracture were proposed based on dynamic fracture regularities revealed.

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Расчет термодинамических свойств наноструктур методом молекулярной динамики

Физическая мезомеханика (2007)

И. Ф. Головнев Е. И. Головнева В. М. Фомин

The molecular dynamics method is applied to study the thermodynamic characteristics of a metal nanocluster for the isobaric and isochoric processes. It is shown that the nanostructure properties differ from the macrobody properties due to the influence of surface atoms in nanostructures. The proposed technique allows the thermomechanical properties to be also calculated for macrobodies. To do this, the nanosystem size should be enlarged to the scale when the influence of surface atoms could be neglected.

Isochoric process

Isobaric process

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Molecular-dynamic simulation of nanocrystal structure evolution under dynamic loading

AIP conference proceedings (2016)

L. A. Merzhievsky И. Ф. Головнев Е. И. Головнева

The paper presents results of molecular-dynamic simulation and investigation of the process of the uniaxial dynamic compression of copper nano-crystals. The micro-structural mechanisms of irreversible lattice transformations are analyzed, and the presence of the critical load is shown; at this load, the energy absorption mechanism changes. It has been found that the structure takes place in the elastic wave; along with it, the rotary strain member occurs. The effect of a nanocrystal size on the peculiarities of the microstructural mechanisms of the dynamic compression process has been studied.

Dynamic range compression

Lattice (music)

10.1063/1.4967018

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Numerical modeling of interface diffusion during heating of spherical metal heterostructure

Journal of Physics Conference Series (2019)

Е. И. Головнева И. Ф. Головнев А. М. Игошкин

Abstract This work is a pilot one and addresses to the development of a physical and mathematical model of alloy formation; this model permits conducting a micro-level detailed study of the influence imposed by the ratio of the thermophysical parameters of the matrix and nanoclusters materials, as well as external controlled parameters on the physical properties of the alloys. The article presents the developed methodological approaches for the numerical simulation of alloys formation with the help of molecular dynamics method (MDM).

Nanoclusters

Interface (matter)

Physical modelling

Matrix (chemical analysis)

10.1088/1742-6596/1369/1/012023

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The influence of a nanocrystal size on the results of molecular-dynamics modeling

Computational Materials Science (2005)

И. Ф. Головнев Е. И. Головнева В. М. Фомин

10.1016/j.commatsci.2004.12.082

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Citations (16)

Molecular Dynamics Study of the Interface Effect on the Fracture of a Heterostructure under Uniaxial Tension

Physical Mesomechanics (2021)

И. Ф. Головнев Е. И. Головнева В. М. Фомин

Uniaxial tension

Tension (geology)

Solid-state physics

10.1134/s1029959921010033

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Investigation of thermal instability in nano-dimensional systems by molecular dynamics method

AIP conference proceedings (2018)

И. Ф. Головнев Е. И. Головнева В. М. Фомин

Analysis of the temperature effect on the mechanical characteristics by the molecular dynamics method has received much consideration in the world science. Though many authors investigate the mechanical properties and fracture of copper nanowires at different temperatures, the meso-analysis and analysis of surface and volume atom sub-systems are missing, which radically disables to study the temperature effect on the fracture stages, whereas this is a key feature of this paper. In this paper, the entire system was first cooled, which led it into the thermodynamically equilibrium state. Then, this equilibrium system was heated up to the desired temperature, and necessary characteristics of the system were analyzed.

Feature (linguistics)

Dynamics

10.1063/1.5065237

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Molecular-dynamic analysis of the strength change through absorption for metal nano-structures during the interaction with a metal melt

Journal of Physics Conference Series (2020)

И. Ф. Головнев Е. И. Головнева В. М. Фомин

Abstract The present work is addressed to the development of the technique of calculation of the strength change for the metal samples under external loadings by the molecular-dynamics method. Such a strength change results from the absorption interaction with a metal melt on the nano-structure surface (a kind of the Rebinder effect). The timeliness of this problem is associated with the creation of the optimal technology of formation and processing of structural materials for up-to-date equipment. The paper presents the developed approaches to the Rebinder effect simulation by the molecular-dynamics method. The influence of a melted silver drop on a copper surface on mechanical characteristics and general geometry of the system under the action of the tension stress is studied by means of comparison with the copper sample under the action of the same tension stress.

Tension (geology)

10.1088/1742-6596/1666/1/012011

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Molecular-dynamic modeling of gas dynamic flow of methane in nanochannel

AIP conference proceedings (2018)

И. Ф. Головнев Е. И. Головнева A. M. Demianenko

The present paper is devoted to the analysis and the methane flow in the channel, with taking into account the gas heat exchange with the surface and molecule absorption on channel walls. For this purposes it is applied a hybrid model basing on the minimal number of phenomenological approximations and being the combination of the molecular dynamics method (MDM) for the description of the gas motion in the space, and Monte-Carlo method (MCM) for the simulation of the inelastic interaction of precursor molecules and the surface.

Free molecular flow

Methane gas

10.1063/1.5065354

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Molecular-dynamic modeling of the fatigue fracture of metal nano-structure under the action of the external cyclic stress

AIP conference proceedings (2017)

И. Ф. Головнев Е. И. Головнева А. В. Уткин

The software complex has been developed for the molecular-dynamic analysis of fatigue processes in nanostructure. Its main advantages are: increased accuracy of calculations and involvement of surface phenomena and sample geometry. Test calculations of the reaction of metal nanorods on the periodical uniaxial compressing loading have been performed within a wide range of oscillation frequencies of various amplitudes of the external stress (from 0.01 to 1.5 GPa). The effects of resonance energy absorption are discovered within the given range of frequencies for every value of the external stress amplitude. Performed investigation enabled to conclude the following: 1. The values of frequencies (periods) of the oscillations and amplitudes of the external uniaxial stresses are found; with them, the fatigue fracture of the nanostructure occurs. 2. The methods of analysis of the energy absorption and accumulation in the crystal structure at the cyclic uniaxial fracture have been developed. It permits performing in future the calculations of the fatigue damage and fracture of nano-size samples under the cyclic loading.

Oscillation (cell signaling)

Cyclic stress

Nanorod

10.1063/1.5007468

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