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We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Niccolò R. C. Corsini , Andrea Greco , Nicholas D. M. Hine , Carla Molteni , Peter D. Haynes

In the Cu Cr system, the formation of supersaturated solid solutions can be obtained by severe plastic deformation. Energy dispersive synchrotron diffraction measurements on as deformed Cu Cr samples as a function of the applied strain…

Spin-dependent transport is investigated in ballistic regime through the interface between a ferromagnet and a spin spiral. We show that spin-dependent interferences lead to a new type of diffraction called "spin-diffraction". It is shown…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Aurélien Manchon , Natalya Ryzhanova , A. Vedyayev , Bernard Dieny

In this paper, we present a comprehensive analysis of the contact mechanics associated with a micron-sized sliding asperity, which plays a crucial role in the abrasive wear processes. Utilising nanoscratch testing, we experimentally…

Materials Science · Physics 2024-11-26 Anna Kareer , Eralp Demir , Edmund Tarleton , Christopher Hardie

Free-electron laser hard X-ray light sources can provide high fluence, femtosecond pulses, enabling the time-resolved probing of structural dynamics and elementary relaxation processes in molecules. Traditional X-ray elastic scattering from…

Chemical Physics · Physics 2016-11-23 Kochise Bennett , Markus Kowalewski , Shaul Mukamel

Strain-engineering of materials encompasses significant elastic deformation and leads to breaking of the lattice symmetry and as a consequence to the emergence of optical anisotropy. However, the capability to image and map local strain…

Optics · Physics 2024-07-26 Joan Sendra , Fabian Haake , Micha Calvo , Henning Galinski , Ralph Spolenak

Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…

Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that…

Soft Condensed Matter · Physics 2020-11-21 P. M. Derlet , R. Maass

This work describes a methodology for producing high quality metallic surfaces from uranium primarily for characterisation and investigations involving electron backscatter diffraction. Electrochemical measurements have been conducted to…

Materials Science · Physics 2018-03-16 JE Sutcliffe , JR Petherbridge , T Cartwright , R Springell , TB Scott , JE Darnbrough

The dynamics of the release of stored energy during annealing along two different crystallographic planes i.e.{111} and {220} in deformed copper have been investigated using in-situ X-ray diffraction measurements at 458K and 473K…

Materials Science · Physics 2016-10-12 S. Dey , N. Gayathri , M. Bhattacharya , P. Mukherjee

Conventional polycrystalline materials acquire high levels of intrinsic mechanical stress (ranging from MPa to a few GPa) during preparation and use, but this stress decays quickly (~minutes) to small residual values (~kPa) under standard…

Materials Science · Physics 2025-08-29 Enrique Vasco , María J. Ramírez-Peral , Alfredo Jacas-Rodríguez , Celia Polop

In a recent experiment, the out-of-plane surface susceptibility of a single-layer two-dimensional atom crystal in the visible spectrum has been measured. This susceptibility gives a measurable contribution to the reflectivity of…

Optics · Physics 2022-05-26 Luca Dell'Anna , Yu He , Michele Merano

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 rigorous methodology is developed for computing elastic fields generated by experimentally observed defect structures within grains in a polycrystal that has undergone tensile extension. An example application is made using a near-field…

Materials Science · Physics 2023-10-10 Siddharth Singh , He Liu , Rajat Arora , Robert M. Suter , Amit Acharya

It has been claimed that quasistatic granular materials, as well as nanoscale materials, exhibit departures from elasticity even at small loadings. It is demonstrated, using 2D and 3D models with interparticle harmonic interactions, that…

Statistical Mechanics · Physics 2007-05-23 C. Goldenberg , I. Goldhirsch

We present an automatic measurement platform that enables the characterization of nanodevices by electrical transport and optical spectroscopy as a function of uniaxial stress. We provide insights into and detailed descriptions of the…

Mesoscale and Nanoscale Physics · Physics 2017-06-07 G. Signorello , M. Schraff , P. Zellekens , U. Drechsler , M. Buerge , H. R. Steinauer , R. Heller , M. Tschudy , H. Riel

Mechanical deformation of amorphous solids can be described as consisting of an elastic part in which the stress increases linearly with strain, up to a yield point at which the solid either fractures or starts deforming plastically. It is…

Disordered Systems and Neural Networks · Physics 2020-03-25 Baoshuang Shang , Pengfei Guan , Jean-Louis Barrat

The paper shows that silicon-based 2D photonic crystal can be a promising material for acoustooptical devices. Isotropic and anisotropic Bragg diffraction of light in photonic crystal is considered. The computational method for calculation…

Other Condensed Matter · Physics 2008-09-01 Z. A. Pyatakova

Identifying the three-dimensional (3D) crystal-plane and strain-field distributions of nanocrystals is essential for optical, catalytic, and electronic applications. Here, we developed a methodology for visualizing the 3D information of…

Crystalline microporous materials are solids formed by interconnected pores of less than 2 nm in size. Typically, they possess large surface areas desirable for versatile applications such as catalysis, gas adsorption, and energy storage.…

Materials Science · Physics 2023-04-26 R. M. Tromer , M. L. Pereira Junior , L. A. Ribeiro Junior , D. S. Galvão