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Due to their high strength and advantageous high-temperature properties, tungsten-based alloys are being considered as plasma-facing candidate materials in fusion devices. Under neutron irradiation, rhenium, which is produced by nuclear…

Materials Science · Physics 2016-08-03 Leili Gharaee , Jaime Marian , Paul Erhart

Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 300 to 900 K. Interatomic…

Materials Science · Physics 2009-07-31 Carlos P. Herrero , Rafael Ramirez

Stochastic heating of small grains is often mentioned as a primary cause of large infrared (IR) fluxes from star-forming galaxies, e.g. at 24\mu m. If the mechanism does work at a galaxy-wide scale, it should show up at smaller scales as…

Astrophysics of Galaxies · Physics 2015-06-03 Ya. N. Pavlyuchenkov , D. S. Wiebe , V. V. Akimkin , M. S. Khramtsova , Th. Henning

We investigated the complex interaction between a nickel layer and a 4H-SiC substrate under UV-laser irradiation since the early stages of the atomic inter-diffusion. An exhaustive description is still lacking in the literature. A…

The synthesis of embedded silicon carbide was carried out in N type silicon samples having (100) and (111) orientations using high dose implantation of carbon ions at room temperature. The variation of dose was employed to get dose…

Materials Science · Physics 2007-05-23 Y. S. Katharria , V. BAranwal , D. C. Agarwal , R. Krishna , P. Kumar , F. Singh , D. Kanjilal

Recent experimental data on the diffusion coefficient of carbon in alpha-iron below liquid nitrogen temperature (LNT) question the classical approach to the observed temperature dependence. As the temperature is lowered below LNT, the…

Materials Science · Physics 2007-05-23 Ludwik Dabrowski , Alexander Andreev , Mladen Georgiev

Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative coefficient of thermal expansion, where the first interlayer…

Materials Science · Physics 2009-10-31 Nicola Marzari , David Vanderbilt , Alessandro De Vita , M. C. Payne

We have performed ab-initio lattice dynamics and molecular dynamics studies of Li2X (X=O, S and Se) to understand the ionic conduction in these compounds. The inelastic neutron scattering measurements on Li2O have been performed across its…

Materials Science · Physics 2019-06-19 M. K. Gupta , Baltej Singh , Prabhatasree Goel , R. Mittal , S. Rols , S. L. Chaplot

A possible superconducting gap, about 35 meV, was observed in silicene on Ag(111) substrate by scanning tunneling spectroscopy. The temperature-dependence measurement reveals a superconductor-metal transition and gives a critical…

Mesoscale and Nanoscale Physics · Physics 2013-01-09 Lan Chen , Baojie Feng , Kehui Wu

Annealing of crystalline multilayers composed of two miscible elements usually causes interfacial mixing of the constituent atoms, possibly leading to the formation of binary alloys at the interfaces. Magnetron sputtered c-Ni/a-Zr…

Materials Science · Physics 2021-10-01 Debarati Bhattacharya , Vijay Karki , Surendra Singh , T. V. Chandrasekhar Rao

An analytical model of high frequency oscillations of the kinetic and potential energies in a one-dimensional harmonic crystal with a substrate potential is obtained by introducing the nonlocal energies [1]. A generalization of the kinetic…

Statistical Mechanics · Physics 2018-02-07 Mikhail B. Babenkov , Anton M. Krivtsov , Denis V. Tsvetkov

Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing…

Features of thermal transport in multilayered porous silicon nanostructures are considered. Such nanostructures were fabricated by electrochemical etching of monocrystalline Si substrates by applying periodically changed current density.…

Impurity diffusion coefficients are entirely obtained from a low cost classical molecular statics technique (CMST). In particular, we show how CMST is appropriate in order to describe the impurity diffusion behavior mediated by a vacancy…

Materials Science · Physics 2014-06-10 Viviana P. Ramunni

Diffusion rates through a membrane can be asymmetric, if the diffusing particles are spatially extended and the pores in the membrane have asymmetric structure. This phenomenon is demonstrated here via a deterministic simulation of a…

Statistical Mechanics · Physics 2007-05-23 Norman Packard , Rob Shaw

Ab initio molecular dynamics simulation is used to investigate the structure and dynamics of liquid Se at temperatures of 870 and 1370~K. The calculated static structure factor is in excellent agreement with experimental data. The…

mtrl-th · Physics 2009-10-28 F. Kirchhoff , M. J. Gillan , J. M. Holender

We use a new Atmospheric Chemistry and Energetics one-dimensional (ACE1D) thermospheric model to show that the energies deposited by the solar soft x-rays in the lower thermosphere at altitudes between 100 -150 km (Bailey et al. 2000),…

Earth and Planetary Astrophysics · Physics 2022-09-23 Srimoyee Samaddar , Karthik Venkataramani , Scott. M. Bailey

The evolution is presented of infrared transmission spectra of hydrogenated and chlorinated amorphous silicon films versus the chlorine concentration and the annealing temperature. As the chlorine content increases, an increase of the 2100…

Materials Science · Physics 2021-10-11 S. Kalem , R. Mostefaoui , J. Bourneix , J. Chevallier

We discuss the non-radiative heat transfer in non-equilibrium double layer graphene system. We show that at the neutrality point the heat exchange is dominated by the inter-layer plasmon modes and derive analytic expressions for the heat…

Mesoscale and Nanoscale Physics · Physics 2020-11-25 Xuzhe Ying , Alex Kamenev

The model of hydrogen migration and of the reactions of hydrogen atoms with electrically active impurity, developed earlier, has been applied to simulate hydrogen diffusion and passivation process during plasma deuteration of silicon…

Materials Science · Physics 2015-06-12 O. I. Velichko , Yu. P. Shaman , A. P. Kovaliova
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