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In this study, we use discrete dislocation dynamics (DDD) simulation to investigate the effect of heterogeneous dislocation density on the transition between quasi-elastic deformation and plastic flow in face-centered cubic single crystals.…

Materials Science · Physics 2019-07-24 Xu Zhang , Jian Xiong , Haidong Fan , Michael Zaiser

Hydrogen embrittlement (HE) poses a significant challenge to the durability of materials used in hydrogen production and utilization. Disentangling the competing nanoscale mechanisms driving HE often relies on simulations and…

Dipolar dislocation loops, prevalent in fcc metals, are widely recognized as controlling many physical aspects of plastic deformation. We present results of 3D dislocation dynamics simulations that shed light on the mechanisms of their…

Materials Science · Physics 2017-01-02 Can Erel , Giacomo Po , Tamer Crosby , Nasr Ghoniem

Whereas disclination defects are energetically prohibitive in two-dimensional flat crystals, their existence is necessary in crystals with spherical topology, such as viral capsids, colloidosomes or fullerenes. Such a geometrical…

Soft Condensed Matter · Physics 2020-07-01 Ireth García-Aguilar , Piermarco Fonda , Luca Giomi

The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…

Pattern Formation and Solitons · Physics 2007-05-23 B. V. Petukhov

The dynamics of dislocations confined to grain boundaries in a striped system are studied using electroconvection in the nematic liquid crystal N4. In electroconvection, a striped pattern of convection rolls forms for sufficiently high…

Soft Condensed Matter · Physics 2009-11-10 Carina Kamaga , Fatima Ibrahim , Michael Dennin

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…

Materials Science · Physics 2019-07-18 Xiaoyue Ni , Stefanos Papanikolaou , Gabriele Vajente , Rana X Adhikari , Julia R. Greer

Pinning of dislocations at nanosized obstacles like precipitates, voids and bubbles, is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often explored…

Materials Science · Physics 2014-10-22 A. Dutta , M. Bhattacharya , P. Barat

Topological defects play a critical role across many fields, mediating phase transitions and macroscopic behaviors as they move through space. Their role as robust information carriers has also generated much attention. However, controlling…

Layered transition metal dichalcogenides (TMDs) offer many attractive features for next-generation low-dimensional device geometries. Due to the practical and fabrication challenges related to in situ methods, the atomistic dynamics that…

Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which cannot be modeled using a single approach. We present a variety of new results…

Materials Science · Physics 2015-06-19 Joel Berry , Nikolas Provatas , Jörg Rottler , Chad W. Sinclair

Conventional discrete-to-continuum approaches have seen their limitation in describing the collective behaviour of the multi-polar configurations of dislocations, which are widely observed in crystalline materials. The reason is that…

Materials Science · Physics 2016-04-12 Stephen Jonathan Chapman , Yang Xiang , Yichao Zhu

Theoretical calculations of the structure, formation and migration of kinks on a non-dissociated screw dislocation in silicon have been carried out using density functional theory calculations as well as calculations based on interatomic…

Materials Science · Physics 2008-12-18 Laurent Pizzagalli , Andreas Pedersen , Andri Arnaldsson , Hannes Jónsson , Pierre Beauchamp

Most of crystalline materials exhibit a hysteresis on their deformation curve when mechanically loaded in alternating directions. This Bauschinger effect is the signature of mechanisms existing at the atomic scale and controlling the…

Materials Science · Physics 2021-01-01 Sylvain Queyreau , Benoit Devincre

Dislocations in ceramics at room temperature are attracting increasing research interest. Dislocations may bring a new perspective for tuning physical and mechanical properties in advanced ceramics. Here, we investigate the dislocation…

Materials Science · Physics 2025-04-09 Jiawen Zhang , Xufei Fang , Wenjun Lu

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 investigate the physics of the core reconstruction and associated structural excitations (reconstruction defects and kinks) of dislocations in silicon, using a linear-scaling density-matrix technique. The two predominant dislocations…

Materials Science · Physics 2009-10-30 R. W. Nunes , J. Bennetto , David Vanderbilt

Dislocations are topological defects known to be crucial in the onset of plasticity and in many properties of crystals. Classical Elasticity still fails to fully explain their dynamics under extreme conditions of high strain gradients and…

Soft Condensed Matter · Physics 2021-01-05 P. C. N. Pereira , S. W. S. Apolinario

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

Electroplasticity is defined as the reduction in flow stress of a material undergoing deformation on passing an electrical pulse through it. The lowering of flow stress during electrical pulsing has been attributed to a combination of three…

Materials Science · Physics 2020-01-08 Arka Lahiri , Pratheek Shanthraj , Franz Roters
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