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The increasing number of protein-based metamaterials demands reliable and efficient theoretical and computational methods to study the physicochemical properties they may display. In this regard, we develop a simulation strategy based on…

软凝聚态物质 · 物理学 2020-06-23 J. A. Campos Gonzalez Angulo , G. Wiesehan , R. F. Ribeiro , J. Yuen-Zhou

When an amorphous solid is deformed homogeneously, the response exhibits heterogeneous plastic instabilities with localized cooperative rearrangement of cluster of particles. The heterogeneous behavior plays an important role in deciding…

软凝聚态物质 · 物理学 2022-01-31 Meenakshi L , Bhaskar Sen Gupta

We examine the dynamics of a compressible active nematic liquid crystal on a frictional substrate. When frictional damping dominates over viscous dissipation, we eliminate flow in favor of active stresses to obtain a minimal dynamical model…

软凝聚态物质 · 物理学 2016-11-07 Pragya Srivastava , Prashant Mishra , M. Cristina Marchetti

A limited mobility nonequilibrium solid-on-solid dynamical model for kinetic surface growth is introduced as a simple description for the morphological evolution of a growing interface under random vapor deposition and surface diffusion…

统计力学 · 物理学 2007-05-23 S. Das Sarma , P. Punyindu

Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…

统计力学 · 物理学 2022-06-02 Rudolf Haussmann

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…

无序系统与神经网络 · 物理学 2020-01-31 Henri Salmenjoki , Mikko J. Alava , Lasse Laurson

Nucleation of a solid in solid is initiated by the appearance of distinct dynamical heterogeneities, consisting of `active' particles whose trajectories show an abrupt transition from ballistic to diffusive, coincident with the…

材料科学 · 物理学 2010-01-21 Surajit Sengupta , Jayee Bhattacharya , Madan Rao

Plastic deformation in microscale differs from the macroscopic plasticity in two respects: (i) the flow stress of small samples depends on their size (ii) the scatter of plasticity increases significantly. In this work we focus on the…

We perform molecular dynamic (MD) simulations of frictional non-thermal particles driven by an externally applied shear stress. After the system jams following a transient flow, we probe its mechanical response in order to clarify whether…

软凝聚态物质 · 物理学 2012-02-09 Raffaele Pastore , Massimo Pica Ciamarra , Antonio Coniglio

We propose a three dimensional mechanical model of embryonic tissue dynamics. Mechanically coupled adherent cells are represented as particles interconnected with elastic beams which can exert non-central forces and torques. Tissue…

生物物理 · 物理学 2015-06-22 Andras Czirok , Dona Greta Isai

Physical experiments can characterize the elastic response of granular materials in terms of macroscopic state-variables, namely volume (packing) fraction and stress, while the microstructure is not accessible and thus neglected. Here, by…

软凝聚态物质 · 物理学 2015-06-16 Nishant Kumar , Stefan Luding , Vanessa Magnanimo

Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic…

材料科学 · 物理学 2009-02-27 Robert E. Rudd

In complex crystals close to melting or at finite temperatures, different types of defects are ubiquitous and their role becomes relevant in the mechanical response of these solids. Conventional elasticity theory fails to provide a…

Molecular dynamics simulations frequently employ periodic boundary conditions where the positions of the periodic images are manipulated in order to apply deformation to the material sample. For example, Lees-Edwards conditions use moving…

计算物理 · 物理学 2020-11-03 Nicholas M. Boffi , Chris H. Rycroft

Randomly crosslinked macromolecules undergo a liquid-to-amorphous solid phase transition at a critical crosslink concentration. This transition has two main signatures: the random localization of a fraction of the monomers and the emergence…

无序系统与神经网络 · 物理学 2009-10-31 Horacio E. Castillo , Paul M. Goldbart

In the present work, the applicability of physics-augmented neural network (PANN) constitutive models for complex electro-elastic finite element analysis is demonstrated. For the investigations, PANN models for electro-elastic material…

计算工程、金融与科学 · 计算机科学 2024-02-13 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

Shear transformations (i.e., localised rearrangements of particles resulting in the shear deformation of a small region of the sample) are the building blocks of mesoscale models for the flow of disordered solids. In order to compute the…

软凝聚态物质 · 物理学 2015-06-24 Alexandre Nicolas , Francesco Puosi , Hideyuki Mizuno , Jean-Louis Barrat

Image acquisition techniques such as micro-computed tomography are nowadays widely available. Quantitative analysis of the resulting 3D image data enables geometric characterization of the micro-structure of materials. Stochastic geometry…

数值分析 · 数学 2025-01-28 Anne Jung , Claudia Redenbach , Katja Schladitz , Sarah Staub

Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we propose an empirical formulation of accelerated MD method,…

材料科学 · 物理学 2025-12-10 Liang Wan , Qingsong Mei , Haowen Liu , Huafeng Zhang , Jun-Ping Du , Shigenobu Ogata , Wen Tong Geng

Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…

材料科学 · 物理学 2020-11-11 Kamyar M. Davoudi , Joost J. Vlassak