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We report the first ab initio density-functional study of <111> screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to…

Materials Science · Physics 2009-10-31 Sohrab Ismail-Beigi , T. A. Arias

Intermittent plastic deformation in crystals with power-law behaviors has been reported in previous experimental studies. The power-law behavior is reminiscent of self-organized criticality, and mesoscopic models have been proposed that…

Materials Science · Physics 2015-10-01 Niiyama Tomoaki , Shimokawa Tomotsugu

The effects of dislocation climb on plastic deformation during loading and unloading are studied using a two-dimensional discrete dislocation dynamics model. Simulations are performed for polycrystalline thin films passivated on both…

Materials Science · Physics 2014-01-03 Kamyar M. Davoudi , Lucia Nicola , Joost J. Vlassak

We reformulate the theory of polycrystalline plasticity, in externally driven, nonequilibrium situations, by writing equations of motion for the flow of energy and entropy associated with dislocations. Within this general framework, and…

Materials Science · Physics 2010-01-21 J. S. Langer , Eran Bouchbinder , Turab Lookman

It is well known that under plastic deformation, dislocations are not only created but also move through the crystal, and their mobility is impeded by their interaction with the crystal structure. At high stress and temperature, this `drag'…

Materials Science · Physics 2022-01-20 Daniel N. Blaschke

Thermally-activated $\small{\nicefrac{1}{2}}<111>$ screw dislocation motion is the controlling plastic mechanism at low temperatures in body-centered cubic (bcc) crystals. Motion proceeds by the nucleation and propagation of atomic-sized…

Materials Science · Physics 2014-08-27 Alexander Stukowski , David Cereceda , Thomas D. Swinburne , Jaime Marian

The universality class of the avalanche behavior in plastically deforming crystalline and amorphous systems has been commonly discussed, despite the fact that the microscopic defect character in each of these systems is different. In…

Materials Science · Physics 2019-05-08 Hengxu Song , Dennis Dimiduk , Stefanos Papanikolaou

Fracture material is seriously problem in daily life, and it has connection with mechanical properties itself. The mechanical properties is belief depend on dislocation movement and crack propagation in the crystal. Information about this…

Computational Physics · Physics 2012-12-04 Suprijadi , Ely Aprilia , Meiqorry Yusfi

In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the…

Materials Science · Physics 2019-09-24 Xiaoyao Peng , Nithin Mathew , Irene J. Beyerlein , Kaushik Dayal , Abigail Hunter

The interplay of screw dislocations with carbon atoms is investigated in tungsten at high temperature using in situ straining experiments in a transmission electron microscope (TEM) and through ab initio calculations. When the temperature…

Materials Science · Physics 2021-11-24 Guillaume Hachet , Daniel Caillard , Lisa Ventelon , Emmanuel Clouet

We use a discrete dislocation dynamics (DDD) approach to study the motion of a dislocation under strong stochastic forces that may cause bending and roughening of the dislocation line on scales that are comparable to the dislocation core…

Materials Science · Physics 2018-07-26 Jianhui Zhai , Michael Zaiser

The critical dynamics of dislocation avalanches in plastic flow is examined using a phase field crystal (PFC) model. In the model, dislocations are naturally created, without any \textit{ad hoc} creation rules, by applying a shearing force…

Materials Science · Physics 2010-06-14 Pak Yuen Chan , Georgios Tsekenis , Jonathan Dantzig , Karin A. Dahmen , Nigel Goldenfeld

This paper presents the thermodynamic dislocation theory containing several modifications over its first version which was originally proposed by Langer, Bouchbinder, and Lookman (2010). Employing a small set of physics-based material…

Materials Science · Physics 2020-07-13 Khanh Chau Le , Sa Ly Dang , Hoang Thien Luu , Nina Gunkelmann

We study strain-controlled plastic deformation of crystalline solids via two-dimensional discrete dislocation dynamics simulations. To this end, we characterize the average stress-strain curves as well as the statistical properties of…

Materials Science · Physics 2021-09-01 David Kurunczi-Papp , Lasse Laurson

The interaction between dislocations is fundamental to plastic deformation, work hardening, and defect accumulation. While extensive research has focused on the impact of solutes on individual dislocations, how solutes affect…

Materials Science · Physics 2024-09-25 Jie Hou , Ducheng Peng , Xiang-Shan Kong , Huiqiu Deng , Wangyu Hu , Cheng Chen , Jun Song

Viscoplastic flow of polycrystalline metallic materials is the result of motion and interaction of dislocations, line defects of the crystalline structure. In the microstructural (physics-based) constitutive model presented in this paper,…

Materials Science · Physics 2018-09-11 S. Amir H. Motaman , Ulrich Prahl

The plasticity transition at the yield strength of a crystal typically signifies the tendency of dislocation defects towards relatively unrestricted motion. For an isolated dislocation the motion is in the slip plane with velocity…

Materials Science · Physics 2020-01-15 Péter Dusán Ispánovity , Stefanos Papanikolaou , István Groma

Isolated kinks on thermally fluctuating (1/2)<111> screw, <100> edge and (1/2)<111> edge dislocations in bcc iron are simulated under zero stress conditions using molecular dynamics (MD). Kinks are seen to perform stochastic motion in a…

Materials Science · Physics 2013-02-26 T. D. Swinburne , S. L. Dudarev , S. P. Fitzgerald , M. R. Gilbert , A. P. Sutton

A stochastic discrete slip approach is proposed to model plastic deformation in submicron domains. The model is applied to the study of submicron pillar ($D~\leq~1\mu m$) compression experiments on tungsten (W), a prototypical metal for…

Materials Science · Physics 2024-04-17 Carlos J. Ruestes , Javier Segurado

The present paper studies non-uniform plastic deformations of crystals undergoing anti-plane constrained shear. The asymptotically exact energy density of crystals containing a moderately large density of excess dislocations is found by the…

Materials Science · Physics 2018-01-17 Khanh Chau Le , Yinguang Piao