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The quasicontinuum method is used to simulate three-dimensional Lomer-Cottrell junctions both in the absence and in the presence of an applied stress. The simulations show that this type of junction is destroyed by an unzipping mechanism in…

材料科学 · 物理学 2016-08-31 D. Rodney , R. Phillips

This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…

材料科学 · 物理学 2025-12-01 Boyang Gu , Adrian Diaz , Yang Li , Youping Chen

We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…

材料科学 · 物理学 2020-06-24 Rajat Arora , Xiaohan Zhang , Amit Acharya

A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…

材料科学 · 物理学 2007-05-23 A. Carpio , L. L. Bonilla

Dislocation jogs have strong effects on dislocation motion that governs the strain-hardening behavior of crystalline solids, but how to properly account for their effect in mesoscale models remains poorly understood. We develop a mobility…

材料科学 · 物理学 2025-09-09 Wu-Rong Jian , Yifan Wang , Wei Cai

During the plastic deformation of crystalline materials, 3d dislocation networks form based on dislocation junctions. Particularly, immobile Lomer junctions are essential for the stability of dislocation networks. However, the formed Lomer…

材料科学 · 物理学 2022-12-09 Balduin Katzer , Kolja Zoller , Julia Bermuth , Daniel Weygand , Katrin Schulz

We simulate the dislocation core structure in bcc iron using the modified Molecular Static method. A feature of this method is the application of an iterative procedure in which the atomic structure in the vicinity of the defect and the…

材料科学 · 物理学 2021-01-05 A. A. Gusev , A. V. Nazarov

The interaction of screw dislocations with an applied stress is studied using atomistic simulations in conjunction with a continuum treatment of the role played by the far field boundary condition. A finite cell of atoms is used to consider…

材料科学 · 物理学 2009-10-28 Vijay B. Shenoy , Rob Phillips

Recently, a dislocation free deformation mechanism was proposed by Kiritani et al., based on a series of experiments where thin foils of fcc metals were deformed at very high strain rates. In the experimental study, they observed a large…

材料科学 · 物理学 2015-06-24 J. Schiøtz , T. Leffers , B. N. Singh

We report results of large-scale molecular-dynamics (MD) simulations of dynamic deformation under biaxial tensile strain of pre-strained single-crystalline nanometer-scale-thick face-centered cubic (fcc) copper films. Our results show that…

材料科学 · 物理学 2015-05-13 Kedarnath Kolluri , M. Rauf Gungor , Dimitrios Maroudas

Using atomistic simulations, dislocation dynamics modeling, and continuum elastic-plastic stress-wave theory, we present a systematic investigation on shock-induced plasticity in semi-coherent CuNi multilayers. The features of stress wave…

计算物理 · 物理学 2018-01-16 Meizhen Xianga , Yi Liao , Kun Wang , Guo Lu , Jun Chen

In small-scale metallic systems, collective dislocation activity has been correlated with size effects in strength and with a step-like plastic response under uniaxial compression and tension. Yielding and plastic flow in these samples is…

材料科学 · 物理学 2019-07-18 Xiaoyue Ni , Stefanos Papanikolaou , Gabriele Vajente , Rana X Adhikari , Julia R. Greer

When metals are plastically deformed, the total density of dislocations increases with strain as the microstructure is continuously refined, leading to the strain hardening behavior. Here we report the fundamental role played by the…

材料科学 · 物理学 2018-08-29 Ryan B. Sills , Nicolas Bertin , Amin Aghaei , Wei Cai

This work addresses differences in predicted elastic fields created by dislocations either by the Phase Field Crystal (PFC) model, or by static Field Dislocation Mechanics (FDM). The PFC order parameter describes the topological content of…

材料科学 · 物理学 2024-04-16 Manas Vijay Upadhyay , Jorge Viñals

Most of crystalline materials develop an hysteresis on their deformation curve when a mechanical loading is applied in alternating directions. This effect, also known as the Bauschinger effect, is intimately related to the reversibile part…

材料科学 · 物理学 2022-01-03 Sylvain Queyreau , Benoit Devincre

We introduce a dislocation density tensor and derive its kinematic evolution law from a phase field description of crystal deformations in three dimensions. The phase field crystal (PFC) model is used to define the lattice distortion,…

材料科学 · 物理学 2022-06-06 Vidar Skogvoll , Luiza Angheluta , Audun Skaugen , Marco Salvalaglio , Jorge Viñals

This work presents a practical finite element modeling strategy, the Crack Element Method (CEM), for simulating the dynamic crack propagation in two-dimensional structures. The method employs an element-splitting algorithm based on the…

计算工程、金融与科学 · 计算机科学 2025-08-04 Yuxi Xie , Ethan J. Wu , Lu Xu , Jimmy Perez , Shaofan Li

This paper presents a comprehensive computational framework for investigating thermo-elastic fracture in transversely isotropic materials, where classical linear elasticity fails to predict physically realistic behavior near stress…

数值分析 · 数学 2025-10-08 Saugata Ghosh , Dambaru Bhatta , S. M. Mallikarjunaiah

The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM) and molecular statics simulations. Results of atomic…

Over low and intermediate strain rates, plasticity in face centered cubic (FCC) metals is governed by the glide of dislocations, which manifest as complex networks that evolve with strain. Considering the elastic anisotropy of FCC metals,…

材料科学 · 物理学 2025-01-28 John D. Shimanek , Darshan Bamney , Laurent Capolungo , Zi-Kui Liu , Allison M. Beese
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