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Atomic level defects such as dislocations play key roles in determining the macroscopic properties of crystalline materials. Their effects are important and wide-reaching, and range from increased chemical reactivity to enhanced mechanical…

Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms remain however to be unraveled. Crystal nucleation, the early…

Materials Science · Physics 2022-02-09 Sébastien Becker , Emilie Devijver , Rémi Molinier , Noël Jakse

Intermetallics, which encompass a wide range of compounds, often exhibit similar or closely related crystal structures, resulting in various intermetallic systems with structurally derivative phases. This study examines the hypothesis that…

During plastic deformation, metals change shape while continuously becoming stronger. The microscopic origin of these processes lies in the proliferation and movement of line defects, dislocations, and the subsequent self-organisation and…

The existence of a well defined yield stress, where a macroscopic piece of crystal begins to plastically flow, has been one of the basic observations of materials science. In contrast to macroscopic samples, in micro- and nanocrystals the…

The continuum dislocation dynamics framework for mesoscale plasticity is intended to capture the dislocation density evolution and the deformation of crystals when subjected to mechanical loading. It does so by solving a set of transport…

Materials Science · Physics 2021-02-24 Vignesh Vivekanandan , Peng Lin , Grethe Winther , Anter El-Azab

Nanoindentation was carried out on pure tungsten carbide (WC) on the basal (0001) and prismatic (1010) planes, using Berkovich and spherical indenters, in both single load and multi-load testing. The work focuses on correlating the…

Materials Science · Physics 2022-01-10 Hannah Zhang , Francois De Luca , Haibin Wang , Ken Mingard , Mark Gee

Crystal plasticity is mediated through dislocations, which form knotted configurations in a complex energy landscape. Once they disentangle and move, they may also be impeded by permanent obstacles with finite energy barriers or frustrating…

Materials Science · Physics 2018-01-17 Stefanos Papanikolaou , Yinan Cui , Nasr Ghoniem

The thermodynamic dislocation theory developed for non-uniform plastic deformations is used here in an analysis of a bar subjected to torsion. Employing a small set of physics-based parameters, which we expect to be approximately…

Soft Condensed Matter · Physics 2019-01-02 K. C. Le , Y. Piao , T. M. Tran

Tension-compression asymmetry is a notable feature of plasticity in bcc single crystals. Recent experiments reveal striking differences in the plasticity of bcc nanopillars for tension and compression. Here we present results from molecular…

Materials Science · Physics 2016-05-23 Con Healy , Graeme Ackland

Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

When submitted to large stresses at high temperature, usual crystals may irreversibly deform. This phenomenon is known as plasticity and it is due to the motion of crystal defects such as dislocations. We have discovered that, in the…

Materials Science · Physics 2015-06-12 Ariel Haziot , Xavier Rojas , Andrew D. Fefferman , John R. Beamish , Sébastien Balibar

The process of fracture in ductile metals involves the nucleation, growth, and linking of voids. This process takes place both at the low rates involved in typical engineering applications and at the high rates associated with dynamic…

Materials Science · Physics 2015-05-13 Robert E. Rudd

Dislocation assemblies exhibit a jamming or yielding transition at a critical external shear stress value $\sigma=\sigma_c$. Nevertheless the nature of this transition has not been ascertained. Here we study the heterogeneous and collective…

Statistical Mechanics · Physics 2015-05-18 Lasse Laurson , M. -Carmen Miguel , Mikko J. Alava

The competition between deformation twinning and dislocation slip underpins the evolution of mesoscale plasticity in face-centered cubic materials. While competition between these mechanisms is known to be related to the critical features…

Materials Science · Physics 2025-09-18 Ritesh Jagatramka , Matthew Daly

Deformation twinning is a form of permanent deformation that is commonly observed in low symmetry crystals such as hexagonal close-packed (hcp) metals. With recent increased interest in using hcp metals, such as magnesium, in structural,…

Materials Science · Physics 2022-02-08 Eric Ocegueda , Kaushik Bhattacharya

A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core…

Materials Science · Physics 2023-12-22 Anwen Liu , Tongqi Wen , Jian Han , David J. Srolovitz

Micro-plasticity theories and models are suitable to explain and predict mechanical response of devices on length scales where the influence of the carrier of plastic deformation - the dislocations - cannot be neglected or completely…

Materials Science · Physics 2015-06-10 Stefan Sandfeld , Ekkachai Thawinan , Christian Wieners

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,…

Disordered Systems and Neural Networks · Physics 2020-01-31 Henri Salmenjoki , Mikko J. Alava , Lasse Laurson

The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…

Materials Science · Physics 2007-05-23 L. S. Metlov