相关论文: Superionic-like diffusion in an elemental crystal:…

Diffusion in coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants $D$ from molecular dynamics simulations. We find that $D$ for coulomb crystals with relatively soft-core $1/r$…

This study investigates the torsional mechanical properties of pristine iron (Fe) and carbon-doped iron (FeC) nanowires with [001] orientation through molecular dynamics simulations utilizing the Modified Embedded Atom Method (MEAM)…

The microscopic theory of atomic diffusion kinetics is used for f.c.c. substitutional solid solutions. Within this approach, the short-range order relaxation is due to the atomic migration. Experimental data on the time dependence of…

One standard approach to describe the collective behaviour of self-propelled particles is the Vicsek model: point-like self-propelled particles tend to align their migration directions to the ones of their nearer neighbours at each…

We study the collective electronic excitations in metallic single- and bilayer transition metal dichalcogenides (TMDCs) using time dependent density functional theory in the random phase approximation. For very small momentum transfers…

We study the non-equilibrium diffusion dynamics of supersonic lattice solitons in a classical chain of atoms with nearest-neighbor interactions coupled to a heat bath. As a specific example we choose an interaction with cubic anharmonicity.…

We discuss theoretically the optical binding of one-dimensional chains of cold atoms shone by a transverse pump, where particles self-organize to a distance close to an optical wavelength. As the number of particles is increased, the…

We present a homogeneous photometric and spectroscopic analysis of 18 stars along the evolutionary sequence of the metal-poor globular cluster NGC 6397 ([Fe/H] = -2), from the main-sequence turnoff point to red giants below the bump. The…

By drilling periodic thru-holes in a suspended film, the phonon system can be modified. Being motivated by the BCS theory, the technique, so-called phonon engineering, was applied to a niobium sheet. The newly emergent high-$T_{c}$…

The atmosphere of Saturn's largest moon Titan is driven by photochemistry, charged particle precipitation from Saturn's upstream magnetosphere, and presumably by the diffusion of the magnetospheric field into the outer ionosphere, amongst…

The $\alpha/\beta$ interface is central to the microstructure and mechanical properties of titanium alloys. We investigate the structure, thermodynamics and migration of the coherent and semicoherent Ti $\alpha/\beta$ interfaces as a…

The summary of the models offered by the author revealing features of the physical mechanisms controlling processes of martensite crystal formation is resulted. The rapid growth of a cooling martensite crystal is considered as a…

We systematically demonstrate the temperature-dependent thermal transport properties in crystalline Ge$_2$Sb$_2$Te$_5$via first-principles density functional theory-informed linearized Boltzmann transport equation. The investigation,…

Drag and diffusion of mobile ions in solids are of interest for both purely theoretical and applied scientific communities. This article proposes a theoretical description of ion drag in solids that can be used to estimate ionic…

We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…

Molecular dynamics simulations are performed to investigate the structural phase transition in body-centered cubic (bcc) single crystal iron under high strain rate loading. We study the nucleation and growth of the hexagonal-close-packed…

We study the realization of lattice models, where cold atoms and molecules move as extra particles in a dipolar crystal of trapped polar molecules. The crystal is a self-assembled floating mesoscopic lattice structure with quantum dynamics…

Using the rigorous path integral formalism of Feynman and Kac we prove London's eighty years old conjecture that during the superfluid transition in liquid helium Bose-Einstein condensation (BEC) takes place. The result is obtained by…

This paper presents the thermodynamic dislocation theory containing several modifications over its first version which was originally proposed by Langer, Bouchbinder, and Lookman (2010). Employing a small set of physics-based material…

Transition metal dichalcogenides (TMDs) usually show simple structures, however, with interesting properties. Recently some TMDs have been pointed out as type-II Dirac semimetals. In the present work, we investigate the physical properties…