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Surface strain often controls properties of the material including charge transport and chemical reactivity. Localized surface strain is measured with atomic resolution on (111) ceria nanoparticle surfaces using environmental transmission…

Materials Science · Physics 2023-05-19 Piyush Haluai , Tara M. Boland , Ethan L. Lawrence , Peter A. Crozier

Some of the materials are more affected by oxidation than others. To elucidate the oxidation-induced degradation mechanisms in transition metal chalcogenides, the chemical effects in single layer MoS$_2$ and MoTe$_2$ were studied in situ in…

Surface stresses, in nano-sized anode particles undergoing chemomechanical interactions, have a relaxing effect on the diffusion-induced stresses thus improving the mechanical endurance of the particles, whereas, the compressive effect of…

Soft Condensed Matter · Physics 2021-02-23 Amrita Sengupta , Jeevanjyoti Chakraborty

The effect of external strain on surface properties of simple metals is considered within the modified stabilized jellium model. The equations for the stabilization energy of the deformed Wigner-Seitz cells are derived as a function of the…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 V. V. Pogosov , V. P. Kurbatsky

The reduction of iron ore with carbon-carriers is one of the largest sources of greenhouse gas emissions in the industry, motivating global activities to replace the coke-based blast furnace reduction by hydrogen-based direct reduction…

We propose that stress can decrease the internal friction of amorphous solids, either by increasing the potential barriers of defects, thus reducing their tunneling and thermal activation that produce loss, or by decreasing the coupling…

Disordered Systems and Neural Networks · Physics 2011-12-22 Jiansheng Wu , Clare C. Yu

We numerically investigate the role of mechanical stress in modifying the conductivity properties of the cardiac tissue and its impact in computational models for cardiac electromechanics. We follow a theoretical framework recently proposed…

Tissues and Organs · Quantitative Biology 2019-05-02 A. Loppini , A. Gizzi , R. Ruiz Baier , C. Cherubini , F. Fenton , S. Filippi

Atomic-scale investigations of metal oxide surfaces exposed to aqueous environments are vital to understand degradation phenomena (e.g. dissolution and corrosion) as well as the performance of these materials in applications. Here, we…

Based on the two-step-switching model, the process of electromechanical poling of a ferroelectric ceramics is simulated. A difference of the remnant polarizations between two poling protocols (mechanical stress is applied before and after…

Materials Science · Physics 2007-12-07 Yin-Zhong Wu , Yong-Mei Tao

The effects of surface preparations on oxidation kinetics and oxide scale morphology for the commercially available Ni-based superalloy IN 713C have been investigated. The ground and polished samples were exposed in air at 800-1100C. The…

Materials Science · Physics 2020-11-19 Wojciech J. Nowak , Bartek Wierzba

Metals exhibit nonequilibrium electron and lattice subsystems at transient times following femtosecond laser excitation. In the past four decades, various optical spectroscopy and time-resolved diffraction methods have been used to study…

Chemical Physics · Physics 2024-05-17 Xing He , Mithun Ghosh , Ding-Shyue Yang

A numerical model able to simulate solid-state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element model (FEM) for calculating stresses on a…

Materials Science · Physics 2016-05-10 R. Bjørk , H. L. Frandsen , N. Pryds

A combination of micro-Raman spectroscopy and micro-XPS (X-ray photo-electron spectroscopy) mapping on statically deflected p-type silicon cantilevers is used to study the mechanical stress dependence of the Fermi level pinning at an…

Mesoscale and Nanoscale Physics · Physics 2019-02-05 H. Li , L. Martinelli , F. Cadiz , A. Bendounan , S. Arscott , F. Sirotti , A. C. H. Rowe

Although the notion of mechanical noise is expected to play a key role in the non-linear rheology of athermally sheared amorphous systems, its characterization has so far remained elusive. Here, we show using molecular dynamic simulations…

Soft Condensed Matter · Physics 2015-08-27 Francesco Puosi , Julien Olivier , Kirsten Martens

Chemo-mechanical coupled systems have been a subject of interest for many decades now. Previous attempts to solve such models have mainly focused on elastic materials without taking into account the plastic deformation beyond yield, thus…

Computational Engineering, Finance, and Science · Computer Science 2020-01-15 Rupesh Kumar Mahendran , Hirshikesh , Ratna Kumar Annabattula , Sundararajan Natarajan

We theoretically investigate high-pressure effects on the atomic dynamics of metallic glasses. The theory predicts compression-induced rejuvenation and the resulting strain hardening that have been recently observed in metallic glasses.…

Soft Condensed Matter · Physics 2021-01-20 Anh D. Phan , Alessio Zaccone , Vu D. Lam , Katsunori Wakabayashi

In this study the dynamic behaviour of perforated microplates oscillating under the effect of squeeze film damping is analyzed. A numerical approach is adopted to predict the effects of damping and stiffness transferred from the surrounding…

Other Computer Science · Computer Science 2008-02-22 A. Soma , G. De Pasquale

Anharmonic inter-atomic potential x to power of n, n>1, has been used in molecular dynamics (MD) simulations of stress dynamics of FCC oriented crystal. The model of the chain of masses and springs is found as a convenient and accurate…

Mesoscale and Nanoscale Physics · Physics 2024-04-30 Zbigniew Kozioł

We use computer simulations to study the behavior of atomically sharp and blunted cracks in various f.c.c. metals. The simulations use effective medium potentials which contain many-body interactions. We find that when using potentials…

Materials Science · Physics 2007-05-23 J. Schiotz , A. E. Carlsson

External stress can accelerate molecular mobility of amorphous solids by several orders of magnitude. The changes in mobility are commonly interpreted through the Eyring model, which invokes an empirical activation volume whose origin…

Soft Condensed Matter · Physics 2022-03-14 Entao Yang , Robert A. Riggleman