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Plasticity in zirconium alloys is mainly controlled by the interaction of 1/3 1210 screw dislocations with oxygen atoms in interstitial octahedral sites of the hexagonal close-packed lattice. This process is studied here using ab initio…

Materials Science · Physics 2017-05-12 Nermine Chaari , David Rodney , Emmanuel Clouet

Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…

Materials Science · Physics 2023-03-23 Divya Singh , Vladyslav Turlo , Daniel S. Gianola , Timothy J. Rupert

The interaction between dislocations and precipitates plays an important role in the mechanical behavior of alloys. To provide more insight into the physics of this interaction, this research analyzes short-range interactions of an edge…

Materials Science · Physics 2024-03-05 Amirreza Keyhani

Dislocations in ceramics have recently gained renewed research interest, in contrast to the traditional belief that ceramics are inherently brittle. Understanding dislocation mechanics in representative oxides is beneficial for effective…

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…

Crystallography typically studies collections of point particles whose interaction forces are the gradient of a potential. Lifting this assumption generically gives rise in the continuum limit to a form of elasticity with additional moduli…

Soft Condensed Matter · Physics 2021-12-30 Lara Braverman , Colin Scheibner , Bryan VanSaders , Vincenzo Vitelli

Creep mechanisms in uniaxially compressed 3D granular solids comprised of faceted frictionless grains are studied numerically using a constant pressure and constant stress simulation method. Rapid uniaxial compression followed by slow…

Soft Condensed Matter · Physics 2016-03-25 Ishan Srivastava , Timothy S. Fisher

Unlike the tensile mode, compressive deformation of a bcc metallic nanostructure is mediated by the glide of screw dislocation. Although the bcc screw dislocations are well known to possess unusual attributes, it is still unclear how these…

Materials Science · Physics 2016-08-04 Amlan Dutta

A computational approach has been developed for the analysis of the properties of 3D dislocation substructures generated by the vector density continuum dislocation dynamics (CDD), within the framework of crystal plasticity. In the CDD…

Collective motion of dislocations is governed by the obstacles they encounter. In pure crystals, dislocations form complex structures as they become jammed by their anisotropic shear stress fields. On the other hand, introducing disorder to…

Materials Science · Physics 2020-10-13 Henri Salmenjoki , Lasse Laurson , Mikko J. Alava

3D-printed digital materials whose mechanical behavior travels between those from thermoplastic to rubbery polymers have become increasingly important. However, their mechanical functionalities have not been fully exploited due to intrinsic…

Soft Condensed Matter · Physics 2026-03-18 Seunghwan Lee , Gisoo Lee , Seounghee Yun , Sumin Lee , Jeonyoon Lee , Hansohl Cho

The spontaneous emergence of heterogeneous dislocation patterns is a conspicuous feature of plastic deformation and strain hardening of crystalline solids. Despite long-standing efforts in the materials science and physics of defect…

Materials Science · Physics 2015-05-22 Stefan Sandfeld , Michael Zaiser

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

Plastic deformation is mediated by the creation and movement of dislocations, and at high stress the latter is dominated by dislocation drag from phonon wind. By simulating a 1-D shock impact problem we analyze the importance of accurately…

Materials Science · Physics 2021-06-15 Daniel N. Blaschke , Darby J. Luscher

The microscopic mechanism by which amorphous solids yield plastically under an externally applied stress or deformation has remained elusive in spite of enormous research activity in recent years. Most approaches have attempted to identify…

Soft Condensed Matter · Physics 2021-07-07 Matteo Baggioli , Ivan Kriuchevskyi , Timothy W. Sirk , Alessio Zaccone

Dislocation-mediated plastic deformation in ceramic materials has sparked renewed research interest due to the technological potential of dislocations. Despite the long research history of dislocations as one-dimensional lattice defects in…

We report two-dimensional discrete dislocation dynamics simulations of combined dislocation glide and climb leading to `power-law' creep in a model aluminum crystal. The approach fully accounts for matter transport due to vacancy diffusion…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 Shyam M. Keralavarma , Tahir Cagin , Tom Arsenlis , A. Amine Benzerga

Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium (Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$ dislocations. Above room temperature, in situ transmission electron microscopy…

Materials Science · Physics 2023-10-25 Ali Rida , Satish I. Rao , Jaafar A. El-Awady

We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular dynamics simulations on a large single crystal, we elucidate the intricate process of…

Materials Science · Physics 2023-10-20 Jintong Wu , Daniel R. Mason , Fredric Granberg

Deformation band patterning in single crystals is investigated using a finite strain crystal viscoplasticity model based on the evolution of dislocation densities. In the presence of strong latent hardening and weak rate dependence, the…

Materials Science · Physics 2025-07-02 Jean-Michel Scherer
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