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A simple micromechanical model of polycrystalline materials is proposed, which enables us to swiftly produce grain-boundary-stress distributions induced by the uniform external loading (in the elastic strain regime). Such statistical…

Materials Science · Physics 2024-05-24 Timon Mede , Samir El Shawish

The grain boundary (GB) energy has a profound influence on the grain growth and properties of polycrystalline metals. Here, we show that the energy of a GB, normalized by the bulk cohesive energy, can be described purely by four geometric…

Materials Science · Physics 2022-01-31 Weike Ye , Hui Zheng , Chi Chen , Shyue Ping Ong

It is now well established, both theoretically and experimentally, that very small changes in the size of isolated nanograins lead to substantial nonmonotonic variations, and sometimes enhancement, of the mean-field spectroscopic gap of…

Superconductivity · Physics 2014-11-04 James Mayoh , Antonio M. García-García

In our recent works, we used a nearest-neighbor broken bond (NNBB) model to fit the surface energy of Pt, Pd, and Au surfaces [Adv. Theory Simul. 1800127 (2018)]. It was verified that this model could describe the surface energies of above…

Materials Science · Physics 2018-11-26 Xiao-Yan Li , Beien Zhu , Yi Gao

Stress and strain are important factors in determining the mechanical, electronic, and optical properties of materials, relating to each other by the material's elasticity or stiffness. Both are represented by second rank field tensors…

We consider a linearly thermoelastic composite medium,which consists of a homogeneous matrix containing a statistically inhomogeneous random set of inclusions, when the concentration of the inclusions is a function of the coordinates…

Materials Science · Physics 2009-12-22 Valeriy A. Buryachenko

Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…

Materials Science · Physics 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

Threshold-type counts based on multivariate occupancy models with log concave marginals admit bounded size biased couplings under weak conditions, leading to new concentration of measure results for random graphs, germ-grain models in…

Probability · Mathematics 2017-05-25 Jay Bartroff , Larry Goldstein , Ümit Işlak

We report on the spin dynamics of two Terbium-based molecular nanomagnets, Tb-SQ and Tb-Trp, investigated by means of longitudinal muon spin relaxation ($\mu$SR) measurements as a function of applied field, flanked by AC susceptibility…

The generation of high magnetic fields requires materials with high electric conductivity and good strength properties. Cu/Nb composites are considered to be good candidates for this purpose. In this work we aim to predict, from theory, the…

The structure and energy of grain boundaries (GBs) are essential for predicting the properties of polycrystalline materials. In this work, we use high-throughput density functional theory calculations workflow to construct the Grain…

We report direct measurements of spatially resolved surface stresses over the entire surface of a dense suspension during discontinuous shear thickening (DST) using Boundary Stress Microscopy (BSM) in a parallel-plate rheometer. We find…

Soft Condensed Matter · Physics 2020-04-22 Vikram Rathee , Daniel L. Blair , Jeffrey S. Urbach

The intrinsic stress in nanomultilayers (NMLs) is typically dominated by interface stress, which is particularly high in immiscible Cu/W NMLs. Here, atomistic simulations with a chemically-accurate neural network potential reveal the role…

Pressure effects on the charge and spin states and the relation between the ferromagnetic and metallic states were explored on the small bandwidth manganite Pr$_{1-x}$Ca$_{x}$MnO$_{3}$ (x = 0.25, 0.3, 0.35). Under pressure, the charge…

Condensed Matter · Physics 2007-05-23 Congwu Cui , Trevor A. Tyson

The density of the transmission eigenvalues of Pb nano-contacts has been estimated recently in mechanically controllable break-junction experiments. Motivated by these experimental analyses, here we study the evolution of the density of the…

Mesoscale and Nanoscale Physics · Physics 2008-04-26 Victor A. Gopar

A laser-ultrasonic approach was used to measure elastic properties of a superelastic nickel-titanium wire with the aim to evaluate their evolution with stress and temperature in stress-induced martensite. It was observed that this evolution…

Materials Science · Physics 2025-09-05 Petr Sedlák , Miroslav Frost , Martin Ševčík , Lukáš Kadeřávek , Hanuš Seiner

Interfacial segregation and chemical short-range ordering influence the behavior of grain boundaries in complex concentrated alloys. In this study, we use atomistic modeling of a NbMoTaW refractory complex concentrated alloy to provide…

The effect of self-generated tension in the backbone of a bottle-brush (BB) macromolecule, adsorbed on an attractive surface, is studied by means of Molecular Dynamics simulations of a coarse-grained bead-spring model in the good solvent…

Soft Condensed Matter · Physics 2015-06-03 J. Paturej , L. Kuban , A. Milchev , T. A. Vilgis

In stiff fiber-reinforced material, the high shear stress concentration occurs in the narrow region between fibers. With the addition of a small geometric change in cross-section, such as a thin fiber or a overhanging part of fiber, the…

Analysis of PDEs · Mathematics 2008-10-30 MiKyoung Lim , KiHyun Yun

Micro-Raman spectroscopy was employed to study the near-surface stress distributions and origins in Si around through silicon vias (TSVs) at both room temperature and elevated temperatures for Cu-filled and CNT-filled TSV samples. From the…

Materials Science · Physics 2017-08-23 Ye Zhu , Kaushik Ghosh , Hong Yu Li , Yiheng Lin , Chuan Seng Tan , Guangrui Xia