A5062717673- Material Dynamics and Properties
- Theoretical and Computational Physics
- High-pressure geophysics and materials
- Metallic Glasses and Amorphous Alloys
- Glass properties and applications
- nanoparticles nucleation surface interactions
- Mechanical and Optical Resonators
- Pulsed Power Technology Applications
- X-ray Diffraction in Crystallography
- Spectroscopy and Quantum Chemical Studies
- Fullerene Chemistry and Applications
- Graphene research and applications
- Liquid Crystal Research Advancements
- Particle Accelerators and Free-Electron Lasers
- Laser-Plasma Interactions and Diagnostics
- Thermal properties of materials
- Carbon Nanotubes in Composites
- Gyrotron and Vacuum Electronics Research
- Adsorption, diffusion, and thermodynamic properties of materials
- Advanced Thermodynamics and Statistical Mechanics
- Advanced Physical and Chemical Molecular Interactions
- Solid-state spectroscopy and crystallography
- Power Systems Fault Detection
- Nuclear Physics and Applications
- High-Voltage Power Transmission Systems
Technological Design Institute of Scientific Instrument Engineering
2016-2025
Stockholm International Peace Research Institute
2021-2023
Institute for High Pressure Physics
2019-2021
Russian Academy of Sciences
2019
Novosibirsk Tuberculosis Research Institute
2019
Landau Institute for Theoretical Physics
2018
University of Tennessee at Knoxville
2005-2016
Troitsk Institute for Innovation and Fusion Research
2002-2007
State Research Center of the Russian Federation
2007
South College
2005
The Green-Kubo equation relates the macroscopic stress-stress correlation function to a liquid's viscosity. concept of atomic-level stresses allows in be expressed terms space-time correlations among stresses. Molecular dynamics studies show surprisingly long spatial extension and also longitudinal transverse waves propagating liquids over ranges which could exceed system size. results reveal that range propagation shear corresponds distances relevant for Thus our viscosity is fundamentally...
In liquids, phonons have a very short lifetime and the total potential energy does not depend linearly on temperature. Thus it may appear that atomic vibrations in liquids cannot be described by harmonic-oscillator model equipartition theorem for is upheld. this paper we show description of local dynamics terms atomic-level stresses provides such description, satisfying theorem. To prove point carried out molecular-dynamics simulations with several pairwise potentials, including...
The atomic level origin of viscosity and various relaxation times is primary interest in the field supercooled liquids glass transition. Previously, by starting from Green-Kubo expression for decomposing it into correlation functions between local stresses, we showed that there a connection shear stress waves viscosity, range propagation also relevant viscosity. Here, behavior function at different temperatures discussed more detail. comparison time scales system shows long decay (τ(S))...
In discrete systems the number density, defined as of particles per unit volume, is subject to fluctuations depending on size and location sampling volume. Fluctuations in local density or pair distribution function determined from x-ray neutron diffraction experiments, die out quickly disordered materials but persist crystals. Here we show that for a single atom at origin, very large distances does not decay, even case random system; only disappearing after ensemble averaging. Therefore,...
We report a numerical technique that allows the quantum effects of zero-point motion to be incorporated into Pair Distribution Functions calculated classically for molecules using Monte Carlo or Molecular Dynamics simulations. establish basis this approximation diatomic molecule described by Morse potential. The correction should significantly improve agreement between modeled and experimental data, facilitate conclusions about inter- intra-molecular flexibility. describe similar approach...
We studied the connection between structural relaxation and viscosity for a binary model of repulsive particles in supercooled liquid regime. The used approach is based on decomposition macroscopic Green-Kubo stress correlation function into functions atomic level stresses. Previously we to study an iron-like single component system particles. role vibrational motion has been addressed through demonstration relationship shear waves propagating over large distances. In our previous...
The ideas related to potential-energy landscape and cooperativity of atomic rearrangements are widely discussed in the research field glass transition. crossover transition from high-temperature regime potential-energy-landscape-influenced was extensively studied using concept inherent structure. However, interpretation this behavior terms microscopic changes real structures is still lacking. In paper we present several observations on structures. We compare fluctuations global properties...
The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number different densities. We found that many densities, as temperature systems decreases, crystallize into complex structures whose formation have not anticipated previous studies on potential. In particular, certain densities crystallization structure $Ia\bar{3}d$ (space group $\#230$) with 16 unit cell occupying Wyckoff special...
How atoms move in metallic glasses and liquids is an important question discussing atomic transport, glass formation, structural relaxation other properties of glasses. While the concept free-volume has long been used describing computer simulations isotope measurements have shown that transport occurs by a much more collective process than assumed theory. We introduce new approach to describe dynamics glasses, terms local energy landscapes related fluctuations topology connectivity. This...
The temperature expansion coefficient of a single-component harmonic-repulsive model system exhibits water-like anomalies at certain pressures.
In order to gain insight into the connection between vibrational dynamics and atomic-level Green-Kubo stress correlation function in liquids, we consider this a model crystal instead. Of course, liquids crystals are quite different it is not expected that results obtained on should be valid for liquids. However, these considerations provide benchmark which of previous molecular simulations can compared. Thus, assuming vibrations plane waves, derive analytical expressions functions classical...
In this work, we generalize a many-body extension of pairwise interatomic potentials originally proposed by Baskes [Phys. Rev. Lett. 83, 2592 (1991)], in particular, showing how pair potential interacting with multiple near neighbor shells may be extended to an embedded atom form without changing the cohesive energy or lattice constant. This is important for parametric studies potentials, particularly elastic constants affect other properties. Specifically, apply modified Johnson potential,...
We report on a further investigation of new method that can be used to address vibrational dynamics and propagation stress waves in liquids. The is based the decomposition macroscopic Green-Kubo correlation function into atomic level functions. This decomposition, as was demonstrated previously for model liquid studied molecular simulations, reveals presence propagating over large distances structure resembles pair density function. In this paper, by performing Fourier transforms functions,...
The scheme of a multi-objective installation ‘Baikal’, multi-megajoule source X-ray emission with temperature 250–300 eV and power 500–1000 TW, is described in this article. Project the ‘Baikal’ based on an inductive energy store, which process step-by-step transmission increasing generates electric pulse parameters required for compression liners. Electric are: current −50 MA, voltage 8–10 MV, duration −150 ns, 30 MJ. An ‘MOL’ intended testing one modules. It consists store IN-1 accumulated...
Considerations of local atomic level stresses associated with each atom represent a particular approach to address structures disordered materials at the level. We studied structural correlations in two-dimensional model liquid using molecular dynamics simulations following way. diagonalized stress tensors every and investigated between eigenvalues orientations eigenvectors different atoms as function distance them. It is demonstrated that suggested can be used characterize materials. In...
It is possible to associate with every atom or molecule in a liquid its own atomic stress tensor. These tensors can be used describe liquids’ structures and investigate the connection between structural dynamic properties. In particular, stresses allow address scale correlations relevant Green-Kubo expression for viscosity. Previously of different atoms were studied using Cartesian representation based on spherical harmonics. this paper we 3D model binary eigenvalues eigenvectors tensors....
Abstract In our molecular dynamics simulations of the system identical particles interacting through harmonic-repulsive pair potential, we observed formation a cubic crystal structure that belongs to Ia 3̅ d (#230) crystallographic space group. This has not been previously seen either in experiments or computer simulations, though its framework topology known from theoretical considerations. Its unit cell contains 16 atoms, occupying only ( 16b ) Wyckoff site, and arranged as two mutually...
Recent work has shown that many metallic glass properties correlate with the Poisson ratio of glass. We have developed a new model for simulating atomistic behavior liquids and glasses allows us to change ratio, while keeping crystalline phase cohesive energy, lattice constant, bulk modulus fixed. A number liquid are be directly affected by ratio. An increasing stabilizes structure relative crystal phase, as indicated significantly lower melting temperature enthalpy phase. The clearly...
Recently there have been several considerations by different authors of viscosity and the Green-Kubo stress correlation function from microscopic perspective. In most these earlier works atomic level is minimal element stress. It also possible to consider, for pairwise interaction potentials, as elements stress, tensors associated with pairs interacting particles. From this perspective, not element, but a sum all pair in which involved selected particle. paper, we consider perspective using...