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Predicting the behaviour of complex systems is one of the main goals of science. An important example is plastic deformation of micron-scale crystals, a process mediated by collective dynamics of dislocations, manifested as broadly…

Materials Science · Physics 2022-06-03 Marcin Mińkowski , David Kurunczi-Papp , Lasse Laurson

Molecular dynamics (MD) simulations were performed to investigate the influence of mechanical strain on irradiation-induced defect and dislocation evolution in nickel single crystals subjected to cumulative overlapping 5 keV collision…

High-entropy alloys (HEAs) are complex alloys containing multiple elements in high concentrations. Plasticity in HEAs is carried by dislocations, but the random nature of their composition pins dislocations, effectively hindering their…

Materials Science · Physics 2024-10-30 Hoa Thi Le , Wolfram G. Nöhring , Lars Pastewka

In this work, we investigate the dislocation-impurity interaction energies and their profiles for various \textit{3d} elements \textemdash V, Cr, Mn, Cu, Ni, and Co \textemdash in and around $1/2\langle111\rangle$ screw dislocations in…

Materials Science · Physics 2025-05-16 Franco Moitzi , Lorenz Romaner , Andrei V. Ruban , Swarnava Ghosh , Markus Eisenbach , Oleg E. Peil

Challenges associated with in-service mechanical degradation of Li-ion battery cathodes has prompted a transition from polycrystalline to single crystal cathode materials. Whilst for single crystal materials, dislocation-assisted crack…

Materials Science · Physics 2023-08-15 Siyang Wang , Zonghao Shen , Aigerim Omirkhan , Oriol Gavalda-Diaz , Mary P. Ryan , Finn Giuliani

Plastic flow in body-centered cubic (BCC) metals and dilute/concentrated alloys is governed by the motion of <111> screw dislocations, whose glide is often impeded by cross-kinks (jogs). While existing strengthening models typically treat…

Materials Science · Physics 2026-02-20 Subhendu Chakraborty , Liang Qi

Correlated electron systems, particularly iron-based superconductors, are extremely sensitive to strain, which inevitably occurs in the crystal growth process. Built-in strain of this type has been proposed as a possible explanation for…

Strongly Correlated Electrons · Physics 2021-07-16 Mainak Pal , Laetitia Bettmann , Andreas Kreisel , P. J. Hirschfeld

The interaction of crystalline defects leads to strain hardening in bulk metals. Metals with high stacking fault energy (SFE), such as aluminum, tend to have low strain hardening rates due to an inability to form stacking faults and…

Materials Science · Physics 2022-06-10 Mehrdad T. Kiani , Zachary H. Aitken , Abhinav Parakh , Yong-Wei Zhang , X. Wendy Gu

Patterning of precipitates along dislocation lines arising from nonequilibrium segregation during ion irradiation is investigated in model binary alloys. Lattice kinetic Monte Carlo simulations reveal that the competition between solute…

Materials Science · Physics 2026-03-24 N. Saunders , R. S. Averback , P. Bellon

A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior -- low and converging or high and…

Materials Science · Physics 2018-05-23 Nicolas Argibay , Michael E. Chandross , Shengfeng Cheng , Joseph R. Michael

The self-interaction force of dislocation curves in metals depends on the local arrangement of the atoms and on the nonlocal interaction between dislocation curve segments. While these nonlocal segment-segment interactions can be accurately…

Analysis of PDEs · Mathematics 2021-08-24 Patrick van Meurs

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

A novel model based on the Peierls framework of dislocations is developed. The new theory can deal with a dislocation spreading at more than one slip planes. As an example, we study dislocation cross-slip and constriction process of two fcc…

Materials Science · Physics 2009-11-07 Gang Lu , Vasily V. Bulatov , Nicholas Kioussis

Dislocations in single-phase concentrated random alloys, including high- entropy alloys (HEAs), repeatedly encounter pinning during glide, resulting in jerky dislocation motion. While solute-dislocation interaction is well understood in…

Dislocation pinning plays a vital role in the plastic behaviour of a crystalline solid. Here we report the first observation of the damped oscillations of a mobile dislocation after it gets pinned at an obstacle in the presence of a…

Materials Science · Physics 2010-12-24 M. Bhattacharya , A. Dutta , P. Mukherjee , N. Gayathri , P. Barat

Deformation twinning, which occurs in fcc metals only under particular conditions of intrinsic material properties, microstructure, and loading conditions, occupies an indispensable place in their deformation mechanism maps. Nonetheless,…

Materials Science · Physics 2020-10-12 Sweta Kumari , Amlan Dutta

The influence of an applied shear field on the dynamics of an aging colloidal suspension has been investigated by the dynamic light scattering determination of the density autocorrelation function. Though a stationary state is never…

Soft Condensed Matter · Physics 2009-11-10 R. Di Leonardo , F. Ianni , G. Ruocco

We analyse the equilibrium pile-up configurations of infinite periodic walls of edge dislocations which are forced against an impenetrable obstacle by a constant applied shear stress. Numerically generated density distributions exhibit two…

Materials Science · Physics 2016-04-12 T. W. J. de Geus , R. H. J. Peerlings , C. B. Hirschberger

The classical motion of gliding dislocation lines in slip planes of crystalline solid helium leads to plastic deformation even at temperatures far below the Debye temperature and can affect elastic properties. In this work we argue that the…

We report evidence of Re and Mo segregation (up to 2.6 at.% and 1 at.%) along with Cr and Co to the dislocations inside of {\gamma}' precipitates in a second generation Ni-based single crystal superalloy, after creep deformation at…