The influence of periodic shear deformation on nonaffine atomic displacements in an amorphous solid is examined via molecular dynamics simulations. We study the three-dimensional Kob-Andersen binary mixture model at a finite temperature. It is found that when the material is periodically strained, most of the atoms undergo repetitive nonaffine displacements with amplitudes that are broadly distributed. We show that particles with large amplitudes of nonaffine displacements are organized into compact clusters. With increasing strain amplitude, spatial correlations of nonaffine displacements become increasingly long-ranged, although they remain present even in a quiescent system due to thermal fluctuations.
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http://dx.doi.org/10.1103/PhysRevE.94.023004 | DOI Listing |
PNAS Nexus
October 2024
Department of Physics, University of Fribourg, Fribourg, Switzerland.
Cessation of flow in yield stress fluids results in a stress relaxation process that eventually leads to a finite residual stress. Both the rate of stress relaxation and the magnitude of the residual stresses systematically depend on the preceding flow conditions. To assess the microscopic origin of this memory effect, we combine experiments with large-scale computer simulations, exploring the behavior of jammed suspensions of soft repulsive particles.
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September 2024
Department of Physics "A. Pontremoli", University of Milan, Milan 20133, Italy.
The deformation mechanism in amorphous solids subjected to external shear remains poorly understood because of the absence of well-defined topological defects mediating the plastic deformation. The notion of soft spots has emerged as a useful tool to characterize the onset of irreversible rearrangements and plastic flow, but these entities are not clearly defined in terms of geometry and topology. In this study, we unveil the phenomenology of recently discovered, precisely defined topological defects governing the microscopic mechanical and yielding behavior of a model 3D glass under shear deformation.
View Article and Find Full Text PDFChaos
May 2024
Department of Chemical Physics, The Weizmann Institute of Science, Rehovot 7610001, Israel and Sino-Europe Complexity Science Center, School of Mathematics, North University of China, Taiyuan, Shanxi 030051, China.
The response of amorphous solids to mechanical loads is accompanied by plasticity that is generically associated with "non-affine" quadrupolar events seen in the resulting displacement field. To develop a continuum theory, one needs to assess when these quadrupolar events have a finite density, allowing the development of a field theory. Is there a transition, as a function of the material parameters and the nature of the loads, from isolated plastic events whose density is zero to a regime governed by a finite density? And if so, what is the nature of this transition? The aim of the paper is to explore this issue.
View Article and Find Full Text PDFJ Chem Phys
December 2023
Institute for Theoretical Physics, Georg-August-Universität Göttingen, 37077 Göttingen, Germany.
We present a method for computing locally varying nonlinear mechanical properties in particle simulations of amorphous solids. Plastic rearrangements outside a probed region are suppressed by introducing an external field that directly penalizes large nonaffine displacements. With increasing strength of the field, plastic deformation can be localized.
View Article and Find Full Text PDFJ Chem Phys
November 2022
Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Osaka 560-8531, Japan.
We explore anisotropic properties in the thermal expansivities of hydrogen-ordered ice IX and its hydrogen-disordered counterpart, ice III. The free energies of these ice forms are calculated to obtain the lattice constants for the tetragonal unit cell and the thermal expansivities at various thermodynamic conditions in the framework of quasi-harmonic approximation, taking account of their anisotropic nature. The thermal expansivities are also examined by applying a thermodynamic relation that connects them with the Grüneisen parameters and the elastic compliances.
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