相关论文: Ge condensation under SiGe oxidization: from Molec…
The achievement of Bose-Einstein condensation (BEC) in ultracold vapors of alkali atoms has given enormous impulse to the theoretical and experimental study of dilute atomic gases in condensed quantum states inside magnetic traps and…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…
We compare predictions of cooled masses and cooling rates from three stripped-down Semi-Analytic Models (SAMs) of galaxy formation with the results of N-body+SPH simulations with gas particle mass of 3.9x10^6 Msun, where radiative cooling…
On the basis of local nonequilibrium approach, the one-dimensional model of the solute diffusion during rapid solidification of the binary alloy in the semi-infinite volume is considered. Within the scope of the model it is supposed that…
A new self-similar solution describing the dynamical condensation of a radiative gas is investigated under a plane-parallel geometry. The dynamical condensation is caused by thermal instability. The solution is applicable to generic flow…
Computational modelling of passage of high-energy electrons through crystalline media is carried out by means of the relativistic molecular dynamics. The results obtained are compared with the experimental data for 855 MeV electron beam…
While nanoalloys are of paramount scientific and practical interests, the main processes leading to their formation are still poorly understood. Key structural features in the alloy systems, including crystal phase, chemical ordering, and…
Scanning tunneling spectroscopy suggests the formation of a two dimensional electron gas (2DEG) on the TiO2 terminated surface of undoped SrTiO3 single crystals annealed at temperature lower than 400 {\deg}C in ultra high vacuum conditions.…
Molecular segregation in methanol-water mixtures is studied across a wide concentration range as a function of temperature and pressure. Cluster distributions obtained from both neutron diffraction and molecular dynamics simulations point…
Understanding the process of primary and secondary atomization in liquid jets is crucial in describing spray distribution and droplet geometry for industrial applications and is essential in the development of physics-based low-fidelity…
Recent simulations of self-gravitating accretion discs, carried out using a three-dimensional Smoothed Particle Hydrodynamics (SPH) code by Meru and Bate, have been interpreted as implying that three-dimensional global discs fragment much…
Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or…
We study real space condensation in aggregation-fragmentation models where the total mass is not conserved, as in phenomena like cloud formation and intracellular trafficking. We study the scaling properties of the system with influx and…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
We investigate with Monte Carlo computer simulations the capillary phase behaviour of model colloid-polymer mixtures confined between a flat wall and a corrugated wall. The corrugation is modelled via a sine wave as a function of one of the…
Compared to the widely investigated crystalline polymorphs of gallium oxide (Ga2O3), knowledge about its amorphous state is still limited. With the help of a machine-learning interatomic potential, we conducted large-scale atomistic…
The behavior of saturated aqueous sodium chloride solutions under a constant external electric field (E) was studied by molecular dynamics (MD) simulation. Our dynamic MD simulations have indicated that the irreversible nucleation process…
We derive the set of kinetic equations that control the evolution of gluons in the presence of a condensate. We show that the dominant singularities remain logarithmic when the scattering involves particles in the condensate. This allows us…
Plasma-enhanced chemical vapor deposition (PECVD) of silicon dioxide (SiO$_2$) is widely used for low-temperature fabrication of dielectric thin films, yet its atomic-scale growth mechanisms remain incompletely understood. In this work, we…
Using Monte Carlo simulations we study crystallization in the three-dimensional Ising model with four-spin interaction. We monitor the morphology of crystals which grow after placing crystallization seeds in a supercooled liquid. Defects in…