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We present the results of large scale molecular dynamics simulations aimed at understanding the origins of high friction coefficients in pure metals, and their concomitant reduction in alloys and composites. We utilize a series of targeted…

Materials Science · Physics 2021-05-10 Shengfeng Cheng , Michael Chandross

The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…

Materials Science · Physics 2017-09-06 Zhiliang Pan , Timothy J. Rupert

While friction stems from the fundamental interactions between atoms at a contact interface, its best descriptions at the macroscopic scale remain phenomenological. The so called "rate-and-state" models, which specify the friction response…

Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…

Materials Science · Physics 2015-06-22 Jason F. Panzarino , Jesus J. Ramos , Timothy J. Rupert

Advanced nanodevices require high-precision machining of thin films using ultrafast lasers. However, thin-film fabrications cause variations in microstructure, crystallographic orientation, and residual stresses owing to coating conditions…

Materials Science · Physics 2026-05-22 Hariprasath Ganesan , Stefan Sandfeld

A clear understanding of the dynamic behavior of metals is critical for developing superior structural materials as well as for improving material processing techniques such as cold spray and shot peening. Using a high velocity (from 120…

Materials Science · Physics 2023-02-22 Jizhe Cai , Claire Griesbach , Savannah G. Ahnen , Ramathasan Thevamaran

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

A continuum plasticity model for metals is presented from considerations of non-equilibrium thermodynamics. Of specific interest is the application of a fluctuation relation that subsumes the second law of thermodynamics en route to…

Materials Science · Physics 2016-03-31 S Roy Chowdhury , D Roy , J N Reddy

Friction in static and sliding contact of rough surfaces is important in numerous physical phenomena. We seek to understand macroscopically observed static and sliding contact behavior as the collective response of a large number of…

Soft Condensed Matter · Physics 2018-11-12 Srivatsan Hulikal , Nadia Lapusta , Kaushik Bhattacharya

With decreasing system sizes, the mechanical properties and dominant deformation mechanisms of metals change. For larger scales, bulk behavior is observed that is characterized by a preservation and significant increase of dislocation…

Materials Science · Physics 2021-12-21 Kolja Zoller , Szilvia Kalácska , Péter Dusán Ispánovity , Katrin Schulz

The transition between shear-flowing and shear-arrested states of frictional granular matter is studied using constant-stress discrete element simulations. By subjecting a dilute system of frictional grains to a constant external shear…

Soft Condensed Matter · Physics 2019-01-31 Ishan Srivastava , Leonardo E. Silbert , Gary S. Grest , Jeremy B. Lechman

Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…

Materials Science · Physics 2009-10-31 J. Schiøtz , T. Vegge , K. W. Jacobsen

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 mechanical response of elastic porous media confined within rigid geometries is central to a wide range of industrial, geological, and biomedical systems. However, current models for these problems typically overlook the role of wall…

Soft Condensed Matter · Physics 2026-03-12 Térence Desclaux , Callum Cuttle , Chris W. MacMinn , Olivier Liot

The transition from elastic to plastic deformation in crystalline metals shares history dependence and scale-invariant avalanche signature with other non-equilibrium systems under external loading: dilute colloidal suspensions,…

The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…

Soft Condensed Matter · Physics 2012-06-12 Nikolai V. Priezjev

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…

We present an original approach for predicting the static recrystallization texture development during annealing of deformed crystalline materials. The microstructure is considered as a population of subgrains and grains whose sizes and…

Materials Science · Physics 2021-02-22 Arthur Després , Jean-Denis Mithieux , Chad. W. Sinclair

Polycrystalline diamond films with systematic change in microstructure that varies from microcrystalline to nanocrystalline structure are synthesized on Si by hot filament chemical vapor deposition. The morphology and structural properties…

Materials Science · Physics 2019-01-10 P. K. Ajikumar , K. Ganesan , N. Kumar , T. R. Ravindran , S. Kalavathi , M. Kamruddin

Frictional motion is harder to initiate than to sustain, as evident when pushing a heavy object. This disparity between static and kinetic friction drives instabilities and stick-slip dynamics in systems ranging from nanodevices and MEMS to…

Soft Condensed Matter · Physics 2025-10-17 Kasra Farain , Daniel Bonn
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