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High entropy alloys gained significant scientific interest in recent years due to their enhanced mechanical properties including high yield strength combined with outstanding ductility. The strength of these materials originates from their…

Materials Science · Physics 2025-07-29 Dénes Berta , Péter Dusán Ispánovity

We investigate theoretically the effects of elastic and plastic deformations on heterogeneous nucleation and nanowire formation. In the first case, the influence of the confinement of the critical nucleus between two parallel misfitting…

Mesoscale and Nanoscale Physics · Physics 2014-08-05 G. Boussinot , R. Schulz , C. Hüter , E. A. Brener , R. Spatschek

Dislocation nucleation in homogeneous crystals initially unfolds as a linear symmetry-breaking elastic instability. In the absence of explicit nucleation centers, such instability develops simultaneously all over the crystal and due to the…

Materials Science · Physics 2023-02-24 R. Baggio , O. U. Salman , L. Truskinovsky

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…

In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…

Materials Science · Physics 2018-04-20 Marco Patriarca , Antti Kuronen , Kimmo Kaski

The concept of entropy has been pivotal in the formulation of thermodynamics. For systems driven away from thermal equilibrium, a comparable role is played by entropy production and dissipation. Here we provide a comprehensive picture how…

Soft Condensed Matter · Physics 2025-05-15 Robin Bebon , Joshua F. Robinson , Thomas Speck

The viscoplastic deformation (creep) of crystalline materials under constant stress involves the motion of a large number of interacting dislocations. Analytical methods and sophisticated `dislocation-dynamics' simulations have proved very…

Statistical Mechanics · Physics 2009-11-07 M. -Carmen Miguel , Alessandro Vespignani , Stefano Zapperi , Jerome Weiss , Jean-Robert Grasso

Low-energy excitations play a key role in all condensed-matter systems, yet there is limited understanding of their nature in glasses, where they correspond to local rearrangements of groups of particles. Here we introduce an algorithm to…

Soft Condensed Matter · Physics 2024-08-27 Wencheng Ji , Massimo Pica Ciamarra , Matthieu Wyart

Dynamics of nucleosomes, the building blocks of the chromatin, has crucial effects on expression, replication and repair of genomes in eukaryotes. Beside constant movements of nucleosomes by thermal fluctuations, ATP-dependent chromatin…

Biomolecules · Quantitative Biology 2020-01-28 Fatemeh Khodabandeh , Hashem Fatemi , Farshid Mohammad-Rafiee1

Kinetics of dislocations is studied by means of computer simulation during intensive plastic deformation. The dynamical effect in the form of soliton-like wave of sharply disrupted interparticle bonds is observed. Along with it, micropores…

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

The thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain rate sensitivity and strength are…

Computational Physics · Physics 2018-07-27 Zhijie Xu , Catalin Picu

This paper discusses the free energy of complex dislocation microstructures, which is a fundamental property of continuum plasticity. In the past, multiple models of the self energy of dislocations have been proposed in the literature that…

Materials Science · Physics 2015-12-10 Christoph Begau , Godehard Sutmann , Alexander Hartmaier

Dynamic loadings produce high stress waves leading to the spallation of ductile materials such as aluminum, copper, magnesium or tantalum. The main mechanism used herein to explain the change of the number of cavities with the stress rate…

Materials Science · Physics 2009-10-28 Herve Trumel , Francois Hild , Gilles Roy , Yves-Patrick Pellegrini , Christophe Denoual

This paper aims to elucidate the role of interface energy anisotropy in orientation selection during nucleation of new grains in a polycrystalline film growth. An assessment of (heterogeneous) nucleation probability as function of…

Materials Science · Physics 2023-10-11 Martin Minar , Nele Moelans

We conduct dislocation dynamics (DD) simulations of Fe periodic single crystals under tensile load at several high strain rates and temperatures. The simulations are enabled by the recent development of temperature-dependent dislocation…

Materials Science · Physics 2013-11-26 Meijie Tang , Jaime Marian

The yield surface in crystal plasticity can be approached from various directions during mechanical loading. We consider the competition between nanoindentation and tensile loading towards plastic yielding. For this purpose, we develop a…

Materials Science · Physics 2017-07-14 Hengxu Song , Hakan Yavas , Erik Van der Giessen , Stefanos Papanikolaou

We propose a theoretical approach to quantitatively account for the role of entanglement in the nucleation of polymer melts, which is the unique feature of polymer differentiated from small molecules. By performing molecular dynamics…

Soft Condensed Matter · Physics 2022-03-07 Fan Peng , Cui Nie , Tingyu Xu , Wei Chen , Wancheng Yu , Junfang Sheng , Liangbin Li

Dislocations are the primary carriers of plasticity in metallic material. Understanding the basic mechanisms for dislocation movement is paramount to predicting the material mechanical response. Relying on atomistic simulations, we observe…

A model is described, in which electrical breakdown in high-voltage systems is caused by stochastic fluctuations of the mobile dislocation population in the cathode. In this model, the mobile dislocation density normally fluctuates, with a…

Accelerator Physics · Physics 2019-09-05 Eliyahu Zvi Engelberg , Ayelet Badichi Yashar , Yinon Ashkenazy , Michael Assaf , Inna Popov

This work investigates the mechanisms of crystal nucleation in metal melts, in dependence on the influence of their shape and volume. Investigations were conducted on both thin flat and bulk samples prepared of low-temperature Wood's metal…

Materials Science · Physics 2025-07-08 A. S. Nuradinov , K. A. Sirenko , I. A. Nuradinov , O. V. Chystiakov , D. O. Derecha