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There is a growing interest since the 1990s to understand the squeezing and shear behaviors of liquid films at nanometer scale by the atomic force microscope (AFM) measurement. We carry out all-atom contact-mode AFM simulations in a…

Soft Condensed Matter · Physics 2017-09-13 Rong-Guang Xu , Yuan Xiang , Yongsheng Leng

Control of frictional interactions among liquid-suspended particles has led to tunable, strikingly non-Newtonian rheology via the formation of strong flow constraints as particles come into close proximity under shear. Typically, these…

Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…

Materials Science · Physics 2023-03-23 Divya Singh , Vladyslav Turlo , Daniel S. Gianola , Timothy J. Rupert

A numerical strategy to simulate plastic deformation in Mg alloys including dislocation slip and twin propagation is presented. Dislocation slip is included through a crystal plasticity model which is solved using the finite element method…

Materials Science · Physics 2023-02-28 Meijuan Zhang , Auxin Ma , Javier LLorca

Dislocations in ceramics have recently gained renewed research interest, in contrast to the traditional belief that ceramics are inherently brittle. Understanding dislocation mechanics in representative oxides is beneficial for effective…

A yield surface of a material is a set of critical stress conditions beyond which macroscopic plastic deformation begins. For crystalline solids, plastic deformation occurs through the motion of dislocations, which can be captured by…

Materials Science · Physics 2024-02-06 Wu-Rong Jian , Mian Xiao , WaiChing Sun , Wei Cai

We deform, in pure shear, a thin sample of Cu$_{50}$Zr$_{50}$ metallic glass using a molecular dynamics simulation up to, and including, failure. The experiment is repeated ten times in order to have average values and standard deviations.…

Materials Science · Physics 2020-02-19 Matias Sepulveda-Macias , Gonzalo Gutierrez , Fernando Lund

A mesoscopic model for shear plasticity of amorphous materials in two dimensions is introduced, and studied through numerical simulations in order to elucidate the macroscopic (large scale) mechanical behavior. Plastic deformation is…

Soft Condensed Matter · Physics 2012-05-17 Mehdi Talamali , Viljo Petäjä , Damien Vandembroucq , Stéphane Roux

Dynamic shear banding under adiabatic conditions in a mesoscale polycrystalline aggregate is studied using a model of mesoscale dislocation mechanics and experiments. The model involves a length scale related to hardening induced by…

Dislocations are fundamental crystal defects whose stress fields govern a wide range of material properties. The analytical form of the stress tensor around single dislocation was established by elasticity theory more than 80 years ago and…

Materials Science · Physics 2026-01-05 Takeyuki Tsuji , Shunta Harada , Tokuyuki Teraji

This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…

Materials Science · Physics 2019-01-08 Emmanuel Clouet

We study the response to shear deformations of packings of long spherocylindrical particles that interact via frictional forces with friction coefficient $\mu$. The packings are produced and deformed with the help of molecular dynamics…

Soft Condensed Matter · Physics 2021-06-02 Claus Heussinger

This study undertakes the mathematical modelling and numerical analysis of dislocations within the framework of differential geometry. The fundamental configurations, i.e. reference, intermediate and current configurations, are expressed as…

Numerical Analysis · Mathematics 2022-05-09 Shunsuke Kobayashi , Ryuichi Tarumi

We study the shear induced fluidization of amorphous solids subjected to external loading by investigating the relaxation dynamics of the deformed states using computer simulation. A simple shear deformation is employed at constant rate to…

Soft Condensed Matter · Physics 2021-12-07 Santhosh Kumar R , Bhaskar Sen Gupta

Atomic crystals with dislocations deform plastically at low stresses via dislocation glide. Whether dislocation glide occurs in macroscopic frictional granular media has remained unknown. The discrete element method is employed to simulate…

Materials Science · Physics 2026-05-26 Fumiaki Nakai , Takashi Uneyama , Yuto Sasaki , Kiwamu Yoshii , Hiroaki Katsuragi

Molecular dynamics simulations are used to study contact between a rigid, nonadhesive, spherical tip with radius of order 30nm and a flat elastic substrate covered with a fluid monolayer of adsorbed chain molecules. Previous studies of bare…

Materials Science · Physics 2012-01-11 Shengfeng Cheng , Binquan Luan , Mark O. Robbins

Materials are often heterogeneous at various length scales, with variations in grain structure, defects, and composition which has a strong influence on the emergent macroscopic plastic behavior. In particular, heterogeneities lead to…

Materials Science · Physics 2024-06-17 Dénes Berta , David Kurunczi-Papp , Lasse Laurson , Péter Dusán Ispánovity

Plastic flow in body-centered cubic (BCC) metals and dilute/concentrated alloys is governed by the motion of <111> screw dislocations, whose glide is often impeded by cross-kinks (jogs). While existing strengthening models typically treat…

Materials Science · Physics 2026-02-20 Subhendu Chakraborty , Liang Qi

Molecular dynamics (MD) simulations were performed to investigate the influence of mechanical strain on irradiation-induced defect and dislocation evolution in nickel single crystals subjected to cumulative overlapping 5 keV collision…

Failure of amorphous materials is characterized by the emergence of dissipation. The connection between particle dynamics, dissipation, and overall material rheology, however, has still not been elucidated. Here, we take a new approach…

Soft Condensed Matter · Physics 2021-08-09 K. L. Galloway , D. J. Jerolmack , P. E. Arratia
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