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It is well known that conventional harmonic lattice dynamics cannot be applied to energetically unstable crystals at 0 K, such as high temperature body centered cubic (BCC) phase of crystalline Zr. Predicting phonon spectra at finite…

Materials Science · Physics 2019-01-02 Xin Qian , Ronggui Yang

We studied the diffusion coefficient of hot electrons of GaN crystals in moderate electric (1...10 kV/cm) and magnetic (1...4 T) fields. Two configurations, parallel and crossed fields, are analysed. The study was carried out for…

Materials Science · Physics 2019-04-19 G. I. Syngayivska , V. V. Korotyeyev , V. A. Kochelap

Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…

Chemical Physics · Physics 2012-11-06 Kafui A. Tay , François-Xavier Coudert , Anne Boutin

Recently AMS-02 collaboration publish their measurements of light cosmic-ray nuclei, including lithium, beryllium, boron, carbon and oxygen. All of them reveal a prominent excess above $\sim$ 200 GV, coinciding with proton and helium.…

High Energy Astrophysical Phenomena · Physics 2019-01-09 Wei Liu , Yu-hua Yao , Yi-Qing Guo

An unusual growth mechanism of metastable zincblende AlN thin film by diffusion of nitrogen atoms into Al lattice is established. Using first-principles density functional theory, we studied the possibility of thermodynamic stability of AlN…

Materials Science · Physics 2016-06-21 Satyesh K Yadav , Jian Wang , Xiang-Yang Liu

The model-potential approach previously developed by the authors to study positron interactions with molecules is used to calculate the positron binding energy for $n$-alkanes (C$_n$H$_{2n+2}$) and the corresponding cycloalkanes…

Atomic Physics · Physics 2020-11-13 A. R. Swann , G. F. Gribakin

In this work, the Z-average, effective, apparent diffusion coefficients and their poly-dispersity indexes were investigated for dilute poly-disperse homogeneous spherical particles in dispersion where the Rayleigh-Gans-Debye approximation…

Chemical Physics · Physics 2007-05-23 Yong Sun

Diffusion is often accompanied by a reaction or sorption which can induce temperature inhomogeneities. Monte Carlo simulations of Lennard-Jones atoms in zeolite NaCaA are reported with a hot zone presumed to be created by a reaction. Our…

Statistical Mechanics · Physics 2019-05-15 A. V. Anil Kumar , S. Yashonath , G. Ananthakrishna

The paper reports potassium diffusion measurements performed on gem-quality single-crystal alkali feldspar in the temperature range from $1169$ to $1021 \, \mbox{K}$. Natural sanidine from Volkesfeld, Germany was implanted with…

We present numerical simulations of a theory of resonant processes in a frozen gas of excited atoms interacting via dipole-dipole potentials that vary as $r^{-3}$, where $r$ is the interatomic separation. The simulations calculate…

Disordered Systems and Neural Networks · Physics 2007-05-23 J. S. Frasier , V. Celli

Partially coherent light is abundant in many physical systems, and its propagation properties are well understood. Here we extend current theory of propagation of partially coherent light beams to the field of coherent diffusion. Based on a…

Atomic Physics · Physics 2018-10-11 Ronen Chriki , Slava Smartsev , David Eger , Ofer Firstenberg , Nir Davidson

It is common practice to discuss the temperature effect on molecular dynamics of glass formers above the melting temperature in terms of the Arrhenius law. Using dielectric spectroscopy measurements of dc-conductivity and structural…

Materials Science · Physics 2018-04-26 Erik Thoms , Andrzej Grzybowski , Sebastian Pawlus , Marian Paluch

An atom in open space can be detected by means of resonant absorption and reemission of electromagnetic waves, known as resonance fluorescence, which is a fundamental phenomenon of quantum optics. We report on the observation of scattering…

The control of atomic motion through laser cooling has revolutionized quantum technologies, enabling applications ranging from quantum computing to precision metrology. However, the spatial spreading of subrecoil-laser-cooled atoms --…

Statistical Mechanics · Physics 2025-03-20 Soma Shiraki , Eli Barkai , Takuma Akimoto

The self-diffusion coefficient of crystalline solids as a function of density and temperature may derive from thermodynamics concepts and an earlier elastic thermodynamic point defect model [P. Varotsos and K. Alexopoulos, Phys. Rev. B 15,…

Statistical Mechanics · Physics 2010-08-13 A. N. Papathanassiou , I. Sakellis , J. Grammatikakis

We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…

Materials Science · Physics 2009-10-31 Stefano Fabris , Anthony T. Paxton , Michael W. Finnis

We present results of molecular dynamics simulations of the electron system on the surface of liquid helium. The simulations are done for 1600 electrons with periodic boundary conditions. Electron scattering by capillary waves and phonons…

Mesoscale and Nanoscale Physics · Physics 2018-09-03 K. Moskovtsev amd M. I. Dykman

The dynamics of binary colloidal mixture subjected to an external potential barrier is investigated using molecular dynamics simulations. The depletion interactions between the potential barrier and larger components of the mixture alters…

Soft Condensed Matter · Physics 2020-11-05 Mahammad Mustakim , A. V. Anil Kumar

We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data is also presented. We focus on the analysis of thermal…

Materials Science · Physics 2022-08-10 M. A. Paramonov , D. V. Minakov , V. B. Fokin , D. V. Knyazev , G. S. Demyanov , P. R. Levashov

Diffusion is a fundamental physical phenomenon with critical applications in fields such as metallurgy, cell biology, and population dynamics. While standard diffusion is well-understood, anomalous diffusion often requires complex non-local…

Statistical Mechanics · Physics 2026-01-16 Gabriel Barreiro , Vladimir Pérez-Veloz