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Plasticity in hexagonal close-packed zirconium is mainly controlled by the glide of dislocations with 1/3<1-210> Burgers vectors. As these dislocations cannot accommodate deformation in the [0001] direction , twinning or glide of <c+a>…

Materials Science · Physics 2020-09-07 Thomas Soyez , Daniel Caillard , Fabien Onimus , Emmanuel Clouet

Ductile failure is studied in a bcc HfNbTaZr High Entropy Alloy (HEA) with a pre-existing void. Using molecular dynamics simulations of uniaxial tensile tests, we explore the effect of void radius on the elastic modulus and yield stress.…

Density-functional theory calculations based on conventional as well as hybrid exchange-correlation functionals have been carried out to study the properties of helium in various oxides (Al2O3, TiO2, Y2O3, YAP, YAG, YAM, MgO, CaO, BaO, SrO)…

Materials Science · Physics 2012-08-29 Paul Erhart

Dislocations in perovskite oxides have drawn increasing research interest due to their potential of tuning functional properties of electroceramics. Open questions remain regarding the behavior of dislocations concerning their stability…

Materials Science · Physics 2025-12-04 Alexander Frisch , Daniel Isaia , Oliver Preuß , Xufei Fang

Molecular dynamics (MD) simulations were performed to study the cumulative bombardments of low-energy (60-200 eV) helium (He) atoms on tungsten (W) surfaces. The behaviour of He and the response of the W surface were investigated. The He…

Materials Science · Physics 2015-06-18 Min Li , Jiechao Cui , Jun Wang , Qing Hou

The assumption of a spatially uniform helium distribution in the intracluster medium can lead to biases in the estimates of key cluster parameters if composition gradients are present. The helium concentration profile in galaxy clusters is…

High Energy Astrophysical Phenomena · Physics 2020-06-04 Thomas Berlok , Martin E. Pessah

Dislocation velocities and mobilities are studied by Molecular Dynamics simulations for edge and screw dislocations in pure aluminum and nickel, and edge dislocations in Al-2.5%Mg and Al-5.0%Mg random substitutional alloys using EAM…

Materials Science · Physics 2009-11-10 David L. Olmsted , Louis G. Hector , W. A. Curtin , R. J. Clifton

Torsional oscillator experiments show evidence of mass decoupling in solid 4He. This decoupling is amplitude dependent, suggesting a critical velocity for supersolidity. We observe similar behavior in the elastic shear modulus. By measuring…

Other Condensed Matter · Physics 2010-04-15 James Day , Oleksandr Syshchenko , John Beamish

In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{22}$ at. %) in comparison with a model alloy representative…

Atomic and Molecular Clusters · Physics 2022-05-19 Ayobami Daramola , Anna Fraczkiewicz , Giovanni Bonny , Akiyoshi Nomoto , Gilles Adjanor , Christophe Domain , Ghiath Monnet

Based on electronic structure calculations, the structure of intrinsic positive charge solvated in superfluid helium is identified as triatomic He3^+ ion, which is bound to the surrounding ground state helium atoms through the charge -…

Other Condensed Matter · Physics 2015-06-19 David Mateo , Jussi Eloranta

Molecular dynamics simulations are performed to investigate the role of a coherent {\Sigma}3 (111) twin boundary on the plastic deformation behavior of Cu nanopillars. Our work reveals that the mechanical response of pillars with and…

The spin up of helium II is studied by calculating the spin-down recovery of a superfluid-filled container after an impulsive acceleration and comparing with experiments. The calculation takes advantage of a recently published analytic…

Other Condensed Matter · Physics 2015-05-30 C. A. van Eysden , A. Melatos

In this paper we present experimental data of ultrasonic velocity and attenuation obtained in a high purity crystalline sample of cooper hydrogenated by gaseous charge. The sample is oriented in the <111> crystallographic direction and aged…

Materials Science · Physics 2015-03-17 A. Moreno-Gobbi , G. Zamir , J. A. Eiras

The stability of the perfect screw dislocation in silicon has been investigated using both classical potentials and first-principles calculations. Although a recent study by Koizumi et al . stated that the stable screw dislocation was…

Materials Science · Physics 2007-09-12 Laurent Pizzagalli , Pierre Beauchamp , Jacques Rabier

Large lossless currents in high-temperature superconductors (HTS) critically rely on dense defects with suitable size and dimensionality to pin vortices, with dislocations being particularly effective due to their one-dimensional geometry…

In the Large helical device, a change of energetic particle mode is observed as He concentration is varied in ion-ITB type experiments, having constant electron density and input heating power but with a clear increase of central ion…

The nature of mechanically induced dislocations in SrTiO3 at low temperatures has been a disputed matter for a long time. Here we provide a systematic overview of the existing knowledge on dislocations in stoichiometric SrTiO3 complemented…

Materials Science · Physics 2022-10-25 Arne J. Klomp , Lukas Porz , Karsten Albe

We present effects of dislocation inertia on the driven dislocation glide through local immobile pinnings using a stochastic computational model. The global dislocation velocity at a higher stress range is found noticeably dependent on the…

Materials Science · Physics 2007-05-23 Masato Hiratani , Vasily V. Bulatov

We investigate the physics of the core reconstruction and associated structural excitations (reconstruction defects and kinks) of dislocations in silicon, using a linear-scaling density-matrix technique. The two predominant dislocations…

Materials Science · Physics 2009-10-30 R. W. Nunes , J. Bennetto , David Vanderbilt

Dislocation core properties of tin (\beta-Sn) were investigated using the semi-discrete variational Peierls-Nabarro model (SVPN). The SVPN model, which connects the continuum elasticity treatment of the long-range strain field around a…

Materials Science · Physics 2017-03-08 M. A. Bhatia , M. Azarnoush , I. Adlakha , G. Lu , K. N. Solanki
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