• A
  • A
  • A
  • АБВ
  • АБВ
  • АБВ
  • A
  • A
  • A
  • A
  • A
Обычная версия сайта
  • RU
  • EN
  • HSE University
  • Publications
  • Articles
  • Plastic deformation of a model glass induced by a local shear transformation
  • RU
  • EN
Расширенный поиск
Высшая школа экономики
Национальный исследовательский университет
Priority areas
  • business informatics
  • economics
  • engineering science
  • humanitarian
  • IT and mathematics
  • law
  • management
  • mathematics
  • sociology
  • state and public administration
by year
  • 2027
  • 2026
  • 2025
  • 2024
  • 2023
  • 2022
  • 2021
  • 2020
  • 2019
  • 2018
  • 2017
  • 2016
  • 2015
  • 2014
  • 2013
  • 2012
  • 2011
  • 2010
  • 2009
  • 2008
  • 2007
  • 2006
  • 2005
  • 2004
  • 2003
  • 2002
  • 2001
  • 2000
  • 1999
  • 1998
  • 1997
  • 1996
  • 1995
  • 1994
  • 1993
  • 1992
  • 1991
  • 1990
  • 1989
  • 1988
  • 1987
  • 1986
  • 1985
  • 1984
  • 1983
  • 1982
  • 1981
  • 1980
  • 1979
  • 1978
  • 1977
  • 1976
  • 1975
  • 1974
  • 1973
  • 1972
  • 1971
  • 1970
  • 1969
  • 1968
  • 1967
  • 1966
  • 1965
  • 1964
  • 1963
  • 1958
  • More
Subject
News
July 13, 2026
Biologists Discover Unique Properties of MiR-93-5p MicroRNA in Prostate Cancer
Researchers at the International Laboratory of Microphysiological Systems of the HSE Faculty of Biology and Biotechnology investigated how different isoforms of the same microRNA influence gene function in prostate adenocarcinoma. The study found that in some cases, microRNAs can reinforce each other’s effects by targeting and suppressing the same genes. This finding offers a fresh perspective on the molecular mechanisms underlying tumour development and on the search for disease biomarkers. The results have been published in PeerJ.
July 13, 2026
'My Goal Is to Become a Tenured Professor'
Mikhail Samatov focuses on the theoretical study of perovskite solar cells. In this interview for the HSE Young Scientists project, he talks about working on HSE University’s supercomputer, collaborating with Peking University, and making furniture.
July 9, 2026
HSE Economists Use Search Queries to Forecast Birth Rates
Researchers from the HSE Faculty of Economic Sciences have shown that the accuracy of birth rate forecasts for Russia can be improved by almost 50% by incorporating the dynamics of online search queries related to pregnancy and childbirth into forecasting models. In the best-performing models, the forecasting error fell from 4.6% to 3.2%. The findings have been published in Populations and Economics.

 

Have you spotted a typo?
Highlight it, click Ctrl+Enter and send us a message. Thank you for your help!

Publications
  • Books
  • Articles
  • Chapters of books
  • Working papers
  • Report a publication
  • Research at HSE

?

Plastic deformation of a model glass induced by a local shear transformation

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 2015. Vol. 91. P. 032412.
Priezjev N.

The effect of a local shear transformation on plastic deformation of a three-dimensional amorphous solid is studied using molecular dynamics simulations.We consider a spherical inclusion, which is gradually transformed into an ellipsoid of the same volume and then converted back into the sphere. It is shown that at sufficiently large strain amplitudes, the deformation of the material involves localized plastic events that are identified based on the relative displacement of atoms before and after the shear transformation.We find that the density profiles of cage jumps decay away from the inclusion, which correlates well with the radial dependence of the local deformation of the material. At the same strain amplitude, the plastic deformation becomes more pronounced in the cases of weakly damped dynamics or large time scales of the shear transformation. We show that the density profiles can be characterized by the universal function of the radial distance multiplied by a dimensionless factor that depends on the friction coefficient and the time scale of the shear event.

Priority areas: engineering science
Language: English
Full text
DOI
Keywords: Molecular Dynamics Simulationsmetallic glasses
Similar publications
Perovskite nanoparticles Cs4PbBr6 and CsPbBr3: synthesis, analysis and peculiar optical properties
Гущина В. А., / Series chemrxiv-2023-vpzhz-v2 "ChemRxiv". 2023.
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are being intensively studied due to their unique properties and wide range of applications; however, however, the nature of their optical properties is not yet fully understood due to the difficulty of synthesis of singlephase nanoparticles. In this article we describe the features of the synthesis of single-phase particles ...
Added: May 14, 2026
Algorithmic overlaps as thermodynamic variables: from local to cluster Monte Carlo dynamics in critical phenomena
Pilé I., Deng Y., Shchur L., / Series arXiv "math". 2026. No. 2604.10254.
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Svendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for two models in different universality classes: the Ising model and the Potts model with three components. The overlap of two ...
Added: April 20, 2026
Experimental and computational insights into nitrogen retention and controlled release in glauconite-based nanocomposites
Tararushkin E., Ruban A., Bu H. et al., Journal of Molecular Liquids 2026 Vol. 448 Article 129359
This study investigates the molecular mechanisms governing ammonium interactions with glauconite, a potassium- and iron-rich phyllosilicate, focusing on the structure and dynamics of aqueous NH4NO3 solutions confined at mineral interfaces. Glauconite-ammonium nanocomposites (GANs) were prepared with varying ammonium concentrations and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy, scanning electron microscopy, Brunauer-Emmett-Teller method, ...
Added: February 9, 2026
Doping dependence of low-energy charge collective excitations in high-Tc cuprates
Kagan M., Silkin V. M., Efremov D. V., / Series arXiv "math". 2024. No. 2411.12836.
In this study, we analyze the dielectric function of high-Tc cuprates as a function of doping level, taking into account the full energy band dispersion within the CuO2 monolayer. In addition to the conventional two-dimensional (2D) gapless plasmon mode, our findings reveal the existence of three anomalous branches within the plasmon spectrum. Two of these branches ...
Added: November 27, 2024
Influence of anisotropy on the study of critical behavior of spin models by machine learning methods
Sukhoverkhova D., Shchur L., / Series arXiv "math". 2024. No. 2410.14523.
In this paper, we applied a deep neural network to study the issue of knowledge transferability between statistical mechanics models. The following computer experiment was conducted. A convolutional neural network was trained to solve the problem of binary classification of snapshots of the Ising model's spin configuration on a two-dimensional lattice. During testing, snapshots of ...
Added: October 21, 2024
Comparison of the microcanonical population annealing algorithm with the Wang-Landau algorithm
Mozolenko V., Fadeeva Marina, Shchur L., / Series arXiv "math". 2024. No. 2405.10865.
The development of new algorithms for simulations in physics is as important as the development of new analytical methods. In this paper we present a comparison of the recently developed microcanonical population annealing (MCPA) algorithm with the rather mature Wang-Landau algorithm. The comparison is performed on two cases of the Potts model exhibiting a first ...
Added: May 20, 2024
Majorana modes and Fano resonances in Aharonov- Bohm ring with topologically nontrivial superconducting bridge
Kagan M., Аксёнов С. В., / Series Research Square "Research Suqare". 2024. No. 1.
We study different resonances (first of all of the Fano type) in the interference device formed by the Aharonov-Bohm ring with superconducting (SC) wire in the topologically nontrivial state playing a role of a bridge between top and bottom arms. We analyze Majorana modes on the ends of the SC wire and show that the collapse of the ...
Added: April 10, 2024
High-frequency dielectric anomalies in a highly frustrated square kagome lattice nabokoite family compounds ACu7(TeO4)(SO4)5Cl (A=Na, K, Rb, Cs)
Ребров Я. В., Glazkov V., Murtazoev A. F. et al., / Series cond-mat "arxiv.org". 2023.
Nabokoite family compounds ACu7(TeO4)(SO4)5Cl (A=Na, K, Cs, Rb) are one of the candidates for the evasive spin-liquid state predicted for highly-frustrated square kagome lattice (SKL). Their magnetic subsystem includes SKL layers decorated by additional copper ions. All members of this family are characterized by quite high Curie-Weiss temperatures (∼80−200 K), but magnetic ordering was reported ...
Added: January 29, 2024
Nondestructive KPFM-assisted Quality Control in Fabrication of GaAs High-Speed Electronics
Shurakov A., Kaurova N., Belikov I. et al., / Series Physics "arxiv.org". 2022.
In this paper, we report on the method of nondestructive quality control that can be used in fabrication of GaAs high-speed electronics. The method relies on the surface potential mapping and enables rigid in vivo analysis of transport properties of an active electronic device incorporated into a complex integrated circuit. The study is inspired by ...
Added: September 15, 2023
Superconducting spin valves based on a single spiral magnetic layer
Pugach N., Safonchik M. O., Belotelov V. et al., / Series "cond-mat". 2022. No. 2110.00369.
A detailed investigation of a superconducting spin-triplet valve is presented. This spin-valve consists of a superconducting film covering a metal with an intrinsic spiral magnetic order, which could result from competing isotropic exchanges or, if the crystal lattice breaks central symmetry, from asymmetric Dzyaloshinskii-Moriya exchange. Depending on the anisotropy, such a metal may change its ...
Added: November 16, 2022
Two-temperature molecular dynamics simulations of crystal growth in a tungsten supercooled melt
Joás Grossi, Pisarev V., Journal of Physics: Condensed Matter 2022 Vol. 35 No. 1 Article 015401
In this work we use the two-temperature model coupled to molecular dynamics with sinks at the boundaries of the electronic subsystem to study crystal-growth rate in a quasi one-dimensional W crystal into a supercooled melt. The possibility of varying the extension of the electronic grid along with the sinks allows a more realistic description of ...
Added: November 1, 2022
Charge transport in the spatially correlated exponential random energy landscape: effect of the non-positive correlation function
Novikov S. V., / Series cond-mat "arxiv.org". 2022. No. 2209.14955.
Charge transport in amorphous semiconductors having spatially correlated exponential density of states (DOS) has been considered for the arbitrary behavior of the correlation function of random energies. Average carrier velocity is exactly calculated for the quasi-equilibrium (nondispersive) transport regime. For the symmetric exponential DOS with exponential tails for low and high energies and non-positive correlation ...
Added: November 1, 2022
Mechanical annealing and yielding transition in cyclically sheared binary glasses
Priezjev N., Journal of Non-Crystalline Solids 2022 Vol. 590 Article 121697
The effect of cyclic shear deformation on structural relaxation and yielding in binary glasses was examined using molecular dynamics simulations. We studied a binary mixture slowly cooled from the liquid phase to about half the glass transition temperature and then periodically deformed at small strain amplitudes during thousands of cycles. We found that the potential energy decays logarithmically upon ...
Added: May 16, 2022
Software Complex for the Numerical Solution of the Isotropic Imaginary-Axis Eliashberg Equations
Ikhsanov R., Mazur E., Kagan M., / Series "Working papers by Cornell University". 2022. No. 2202.01452.
At present, the task of searching for compounds with a high superconducting transition temperature is a very relevant scientific direction. Usually, the calculation of is carried out by numerically solving the system of Eliashberg equations. In this paper, a set of programs for solving this system written in various forms on the imaginary axis is ...
Added: February 4, 2022
Preliminary modeling as the first stage of targeted organic synthesis
Titov I., Стройлов В. С., Русина П. В. et al., Russian Chemical Reviews 2021 Vol. 90 No. 7 P. 831–867
The review aims to present a classification and applicability analysis of methods for preliminary molecular modelling for targeted organic, catalytic and biocatalytic synthesis. The following three main approaches are considered as a primary classification of the methods: modelling of the target – ligand coordination without structural information on both the target and the resulting complex; ...
Added: December 24, 2021
Theory of Ionic Liquids with Polarizable Ions on a Charged Electrode
Budkov Y., Zavarzin S., Kolesnikov A. L., Journal of Physical Chemistry C 2021 Vol. 125 No. 38 P. 21151–21159
We formulate a general mean-field theory for a flat electric double layer in ionic liquids and electrolyte solutions with ions possessing static polarizability and a permanent dipole moment on a charged electrode. We establish a new analytical expression for electric double-layer differential capacitance, determining it as an absolute value of the ratio of the local ...
Added: September 16, 2021
Synthesis, structure, and PDE inhibiting activity of the anionic DNIC with 5-(3-pyridyl)-4H-1,2,4-triazole-3-thiolyl, the nitric oxide donor.
Sanina N., Isaeva U., Utenyshev A. et al., Inorganica Chimica Acta 2021 Vol. 527 Article 120559
A new inhibitor of phosphodiesterase (PDE), i.e., nitric oxide (NO) donor, a water soluble DNIC Na[Fe(C7H5N4S)2(NO)2]⋅2.5H2O (1), has been synthesized. The structure of the new complex, its physical-chemical properties in the solid state and in solutions have been studied experimentally (X-ray analysis, IR, UV-Vis, Mossbauer spectroscopy, mass-spectrometry, and amperometry) and theoretically (quantum-chemical modeling by DFT ...
Added: September 16, 2021
Yielding transition in stable glasses periodically deformed at finite temperature
Priezjev N., Computational Materials Science 2021 Vol. 200 P. 1–8
The effect of glass stability on the yielding transition and mechanical properties of periodically deformed binary glasses is investigated using molecular dynamics simulations.   We consider a binary mixture first slowly cooled below the glass transition temperature and then mechanically annealed to deeper energy states via small-amplitude oscillatory shear deformation. We show that upon increasing glass stability, the shear modulus and ...
Added: May 23, 2021
Potassium channel blocker crafted by ɑ-hairpinin scaffold engineering
Tabakmakher V., Gigolaev A., Peigneur S. et al., Biophysical Journal 2021 Vol. 120 No. 12 P. 2471–2481
ɑ-Hairpinins are a family of plant defense peptides with a common fold presenting two short ɑ-helices stabilized by two invariant S–S-bridges. We have shown previously that substitution of just two amino acid residues in a wheat ɑ-hairpinin Tk-AMP-X2 leads to Tk-hefu-2 that features specific affinity to voltage-gated potassium channels KV1.3. Here, we utilize a combined ...
Added: May 18, 2021
Accessing a broader range of energy states in metallic glasses by variable-amplitude oscillatory shear
Priezjev N., Journal of Non-Crystalline Solids 2021 Vol. 560
The influence of variable-amplitude loading on the potential energy and mechanical properties of amorphous materials is investigated using molecular dynamics simulations. We study a binary mixture that is either rapidly or slowly cooled across the glass transition temperature and then subjected to a sequence of shear cycles with strain amplitudes above and below the yielding strain. It was found that well ...
Added: January 12, 2021
Cooling under applied stress rejuvenates amorphous alloys and enhances their ductility
Priezjev N., Metals 2021 Vol. 11 P. 67
The effect of tensile stress applied during cooling of binary glasses on the potential energy states and mechanical properties is investigated using molecular dynamics simulations. We study the three-dimensional binary mixture that was first annealed near the glass transition temperature and then rapidly cooled under tension into the glass phase. It is found that at ...
Added: December 30, 2020
Probing the high-pressure viscosity of hydrocarbon mixtures using molecular dynamics simulations
Kondratyuk N., Pisarev V., Ewen J., Journal of Chemical Physics 2020 Vol. 153 No. 15 P. 154502
Computational predictions of the high-pressure viscosity of hydrocarbon mixtures could help to accelerate the development of fuels and lubricants with improved performance. In this study, we use molecular dynamics simulations to study the viscosity and density of methylcyclohexane, 1-methylnaphthalene, and their binary mixtures at 323 K and pressures of up to 500 MPa. The simulation ...
Added: October 26, 2020
Impregnation of Poly(methyl methacrylate) with Carbamazepine in Supercritical Carbon Dioxide: Molecular Dynamics Simulation
Gurina D., Budkov Y., Kiselev M. G., Journal of Physical Chemistry B 2020 Vol. 124 No. 38 P. 8410–8417
Fully atomistic molecular dynamics simulations are employed to study impregnation of the poly(methyl methacrylate) (PMMA) matrix with carbamazepine (CBZ) in supercritical carbon dioxide. The simulation box consists of 108 macromolecules of the polymer sample with the polymerization degree of 100, 57 molecules of CBZ, and 242,522 CO2 molecules. The simulation is performed at 333 K and ...
Added: September 16, 2020
Accelerated rejuvenation in metallic glasses subjected to elastostatic compression along alternating directions
Priezjev N., Journal of Non-Crystalline Solids 2021 Vol. 556 Article 120562
The influence of static stress and alternating loading direction on the potential energy and mechanical properties of amorphous alloys is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture which is first slowly annealed well below the glass transition temperature and then subjected to elastostatic loading either along a single direction or along two and three ...
Added: August 9, 2020
  • About
  • About
  • Key Figures & Facts
  • Sustainability at HSE University
  • Faculties & Departments
  • International Partnerships
  • Faculty & Staff
  • HSE Buildings
  • HSE University for Persons with Disabilities
  • Public Enquiries
  • Studies
  • Admissions
  • Programme Catalogue
  • Undergraduate
  • Graduate
  • Exchange Programmes
  • Summer University
  • Summer Schools
  • Semester in Moscow
  • Business Internship
  • Research
  • International Laboratories
  • Research Centres
  • Research Projects
  • Monitoring Studies
  • Conferences & Seminars
  • Academic Jobs
  • Yasin (April) International Academic Conference on Economic and Social Development
  • Media & Resources
  • Publications by staff
  • HSE Journals
  • Publishing House
  • iq.hse.ru: commentary by HSE experts
  • Library
  • Economic & Social Data Archive
  • Video
  • HSE Repository of Socio-Economic Information
  • HSE1993–2026
  • Contacts
  • Copyright
  • Privacy Policy
  • Site Map
Edit