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Concurrent multiscale methods play an important role in modeling and simulating materials with defects, aiming to achieve the balance between accuracy and efficiency. Atomistic-to-continuum (a/c) coupling methods, a typical class of…

数值分析 · 数学 2025-02-27 Junfeng Lu , Hao Wang , Yangshuai Wang

We derive continuum limits of atomistic models in the realm of nonlinear elasticity theory rigorously as the interatomic distances tend to zero. In particular we obtain an integral functional acting on the deformation gradient in the…

偏微分方程分析 · 数学 2012-05-31 Julian Braun , Bernd Schmidt

We prove long-time existence of solutions for the equations of atomistic elastodynamics on a bounded domain with time-dependent boundary values as well as their convergence to a solution of continuum nonlinear elastodynamics as the…

偏微分方程分析 · 数学 2017-10-25 Julian Braun

We show that the Cauchy--Born model of a single-species 2-lattice is second order if the atomistic and continuum kinematics are connected in a novel way. Our proof uses a generalization to 2-lattices of the point symmetry of Bravais…

数值分析 · 数学 2012-03-28 Brian Van Koten , Christoph Ortner

This paper studies the Cauchy problem for a one-dimensional nonlinear peridynamic model describing the dynamic response of an infinitely long elastic bar. The issues of local well-posedness and smoothness of the solutions are discussed. The…

偏微分方程分析 · 数学 2020-08-04 H. A. Erbay , A. Erkip , G. M. Muslu

Strain-based theory on elastic instabilities is being widely employed for studying onset of plasticity, phase transition or melting in crystals. And size effects, observed in nano-materials or solids under dynamic loadings, needs to account…

材料科学 · 物理学 2017-07-20 Kun Wang , Jun Chen , Wenjun Zhu , Meizhen Xiang

Despite of some progresses in investigating the roles of the higher-order strain gradients on elastic stabilities of solids, the physical nature on the higher-order elastic instabilities of crystals, especially under extreme strain rates,…

介观与纳米尺度物理 · 物理学 2018-06-05 Kun Wang , Jun Chen , Wenjun Zhu , Meizhen Xiang

A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density functional theory approach to calculate the Cauchy stress tensor,…

材料科学 · 物理学 2025-10-08 Ruvini Attanayake , Umesh C. Roy , Abhiyan Pandit , Angelo Bongiorno

Nonlinear contraction theory is a comparatively recent dynamic control system design tool based on an exact differential analysis of convergence, in essence converting a nonlinear stability problem into a linear time-varying stability…

斑图形成与孤子 · 物理学 2007-05-23 Winfried Lohmiller , Jean-Jacques E. Slotine

We derive the atomistic representations of the elastic tensors appearing in the linearized theory of first strain-gradient elasticity for an arbitrary multi-lattice. In addition to the classical (2nd-Piola) stress and elastic moduli…

材料科学 · 物理学 2016-12-21 Nikhil Chandra Admal , Jaime Marian , Giacomo Po

We show existence of solutions for the equations of static atomistic nonlinear elasticity theory on a bounded domain with prescribed boundary values. We also show their convergence to the solutions of continuum nonlinear elasticity theory,…

偏微分方程分析 · 数学 2016-06-30 Julian Braun , Bernd Schmidt

The accurate and efficient computation of the deformation of crystalline solids requires the coupling of atomistic models near lattice defects such as cracks and dislocations with coarse-grained models away from the defects. Quasicontinuum…

数值分析 · 数学 2010-10-15 Xingjie Helen Li , Mitchell Luskin

A general nonlinear theory for the elasticity of pre-stressed single crystals is presented. Various types of elastic moduli are defined, their importance is determined, and relationships between them are presented. In particular, B moduli…

材料科学 · 物理学 2022-01-05 Valery I. Levitas

The problem of heterogeneous nucleation of second-phase in alloys in the vicinity of elastic defects is considered. The defect can be a dislocation line or a crack tip residing in a crystalline solid. We use the Ginzburg-Landau equation to…

材料科学 · 物理学 2011-10-07 Christina Bjerkén , Ali R. Massih

We give an analysis of the stability and displacement error for linear and circular atomistic chains in the plane when the atomistic energy is approximated by the Cauchy-Born continuum energy and by the quasi-nonlocal atomistic-to-continuum…

数值分析 · 数学 2011-05-24 Pavel Belik , Mitchell Luskin

A first-principles method is presented to calculate elastic constants up to the fourth order of crystals with the cubic and hexagonal symmetries. The method relies on the numerical differentiation of the second Piola-Kirchhoff stress tensor…

材料科学 · 物理学 2023-05-03 Abhiyan Pandit , Angelo Bongiorno

In this work we propose and analyze a novel Hybrid High-Order discretization of a class of (linear and) nonlinear elasticity models in the small deformation regime which are of common use in solid mechanics. The proposed method is valid in…

数值分析 · 数学 2017-07-10 Michele Botti , Daniele Di Pietro , Pierre Sochala

We present sharp convergence results for the Cauchy--Born approximation of general classical atomistic interactions, for both static and dynamic problems, for small data.

偏微分方程分析 · 数学 2012-04-09 C. Ortner , F. Theil

In recent years, higher-order topological phases have attracted great interest in various fields of physics. These phases have protected boundary states at lower-dimensional boundaries than the conventional first-order topological phases…

介观与纳米尺度物理 · 物理学 2024-04-19 Yan-Bin Yang , Jiong-Hao Wang , Kai Li , Yong Xu

We investigate non-linear elastic deformations in the phase field crystal model and derived amplitude equations formulations. Two sources of non-linearity are found, one of them based on geometric non-linearity expressed through a finite…

材料科学 · 物理学 2016-06-15 C. Hüter , M. Friák , M. Weikamp , J. Neugebauer , N. Goldenfeld , B. Svendsen , R. Spatschek
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