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The mechanical behavior of nanotwinned Cu was studied through indentation creep and constant strain rate indentation tests from 25 $^\circ$C to 200 $^\circ$C. The results showed an enhanced strain rate sensitivity of nanotwinned Cu with…

Materials Science · Physics 2018-06-04 L. W. Yang , C. Y. Wang , M. A. Monclús , L. Lu , J. M. Molina-Aldareguía , J. LLorca

Dislocation nucleation is essential to our understanding of plastic deformation, ductility and mechanical strength of crystalline materials. Molecular dynamics simulation has played an important role in uncovering the fundamental mechanisms…

Materials Science · Physics 2015-05-20 Seunghwa Ryu , Keonwook Kang , Wei Cai

Thermal activation of dislocations is critical for predicting the mechanical response of materials under common experimental conditions. According to transition state theory (TST), the rate for the system to overcome free energy barriers…

Materials Science · Physics 2025-07-03 Mohammadhossein Nahavandian , Liam Myhill , Enrique Martinez

Despite the large number of experiments demonstrating that grains in a metallic material can grow at room temperature due to applied mechanical load, the mechanisms and the driving forces responsible for mechanically induced grain…

Materials Science · Physics 2019-04-08 Oleksandr Glushko , Gerhard Dehm

We study the effect of periodic, spatially uniform temperature variation on mechanical properties and structural relaxation of amorphous alloys using molecular dynamics simulations. The disordered material is modeled via a non-additive…

Soft Condensed Matter · Physics 2019-02-04 Qing-Long Liu , Nikolai V. Priezjev

The influence of thermal processing on the potential energy, atomic structure, and mechanical properties of metallic glasses is examined using molecular dynamics simulations. We study the three-dimensional binary mixture, which was first…

Soft Condensed Matter · Physics 2019-12-23 Nikolai V. Priezjev

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding (ARB) are studied at 25C and 400C. Cu/Nb NMMs with individual layer thicknesses between 7 and 63…

An analysis of the processes of plastic deformation and acoustic relaxation in a high-entropy alloy Al$_{0.5}$CoCrCuFeNi was carried out. The following have been established: dominant dislocation defects; types of barriers that prevent the…

Materials Science · Physics 2024-07-04 Vasilij Natsik , Yurii Semerenko , Viktor Zoryansky

The metallurgy and materials communities have long known and exploited fundamental links between chemical and structural ordering in metallic solids and their mechanical properties. The highest reported strength achievable through the…

The effect of temperature on two-dimensional plasmons in large-area AlGaN/GaN plasmonic crystals was studied experimentally. With the temperature increase the resonant plasmon frequency redshifts due to the strong temperature dependence of…

There has been a resurgence of interest in using origami principles--along with $2$D materials--to design a wide array of nanoscale devices. In this work, we take cognizance of the fact that small-scale devices are vulnerable to entropic…

Statistical Mechanics · Physics 2024-01-09 Matthew Grasinger , Pradeep Sharma

We investigate the role of temperature on the topological insulating state of metal dichalcogenide monolayers, 1T$^\prime$-MX$_2$ (M=W, Mo and X=S, Se). Using first principles calculations based on density functional theory, we consider…

Materials Science · Physics 2026-01-21 Siyu Chen , Isaac J. Parker , Bartomeu Monserrat

The adiabatic elastocaloric effect relates changes in the strain that a material experiences to resulting changes in its temperature. While elastocaloric materials have been utilized for cooling in room temperature applications, the use of…

Materials Science · Physics 2025-03-06 Mark P. Zic , Linda Ye , Maya H. Martinez , Ian R. Fisher

The strength of the lithosphere is typically modelled based on constitutive equations for steady-state flow. However, models of lithospheric flexure reveal differences in lithospheric strength that are difficult to reconcile based on such…

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 paper presents a new approach, based on controlled oxidation of nanoscale metallic multilayers, to produce strong and hard oxide/metal nanocomposite coatings with high strength and good thermal stability. The approach is demonstrated by…

Materials Science · Physics 2016-09-23 M. A. Monclús , M. Callisti , T. Polcar , L. W. Yang , J. LLorca , J. M. Molina-Aldareguía

We examine the structural relaxation of glassy materials at finite temperatures, considering the effect of activated rearrangements and long-range elastic interactions. Our three-dimensional mesoscopic relaxation model shows how the…

Soft Condensed Matter · Physics 2023-12-20 Gieberth Rodriguez-Lopez , Kirsten Martens , Ezequiel E. Ferrero

We use our recently proposed accelerated dynamics algorithm (Tiwary & van de Walle, 2011) to calculate temperature and stress dependence of activation free energy for surface nucleation of dislocations in pristine Gold nanopillars under…

Materials Science · Physics 2013-05-14 Pratyush Tiwary , Axel van de Walle

The mechanical properties of Mg-4wt.% Zn alloy single crystals along the [0001] orientation were measured through micropillar compression at 23C and 100C. Basal slip was dominant in the solution treated alloy, while pyramidal slip occurred…

Materials Science · Physics 2021-02-03 Reza Alizadeh , Jingya Wang , Javier LLorca

The interaction between Mg edge basal dislocations and rod-shaped $\beta_1'$-MgZn$_2$ precipitates was studied by atomistic simulations using a new interatomic potential. The atomistic model was carefully built taking into account the…

Materials Science · Physics 2020-05-21 G. Esteban-Manzanares , R. Alizadeh , I. Papadimitriou , D. Dickel , C. D. Barrett , J. LLorca
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