相关论文: Ge condensation under SiGe oxidization: from Molec…

The structure of evaporated amorphous Ge$_x$Sb$_x$Te$_{100-2x}$ ($x =$ 6, 9, 13) alloys was investigated by neutron diffraction, X-ray diffraction and extended X-ray absorption spectroscopy (EXAFS) at the Ge, Sb and Te K-edges. Large scale…

Self-similar solutions of the coherent diffusion equation are derived and measured. The set of real similarity solutions is generalized by the introduction of a nonuniform phase surface, based on the elegant Gaussian modes of optical…

Amorphous silica ($a-SiO_2$) is a widely used inorganic material. Interestingly, the relationship between the local atomic structures of $a-SiO_2$ and their effects on ductility and fracture is seldom explored. Here, we combine large-scale…

Surface damage caused by ionizing radiation in SiO$_2$ passivated silicon particle detectors consists mainly of the accumulation of a positively charged layer along with trapped-oxide-charge and interface traps inside the oxide and close to…

We analyze the behavior of supercooled fluids under shear both theoretically and numerically. Theoretically, we generalize the mode-coupling theory of supercooled fluids to systems under stationary shear flow. Our starting point is the set…

We consider a model of a dilute Bose-Einstein condensed gas at finite temperatures, where the condensate coexists in a trap with a cloud of thermal excitations. Within the ZGN formalism, the dynamics of the condensate is described by a…

Scattering rate calculations in two-dimensional Si/SiGe systems have typically been restricted to rectangular Ge profiles at interfaces between layers. Real interfaces, however, may exhibit diffuse Ge profiles either by design or as a…

Discrete particle simulation methods have been used to study axial segregation in a horizontal rotating cylinder that is partially filled with a mixture of two different kinds of granular particles. Under suitable conditions segregation was…

We present results from molecular dynamics simulations exploring the supercooled dynamics of the Gaussian Core Model in the low- and intermediate-density regimes. In particular, we discuss the transition from the low-density…

We explore the circumgalactic metal content traced by commonly observed low ion absorbers, including C II, Si II, Si III, Si IV, and Mg II. We use a set of cosmological hydrodynamical zoom simulations run with the EAGLE model and including…

We present a molecular dynamics simulation scheme that we apply to study the time evolution of the self-organized growth process of metal cluster assemblies formed by sputter-deposited gold atoms on a planar surface. The simulation model…

Atomistic simulations were carried out to analyze the interaction between $< a>$ basal dislocations and precipitates in Mg-Al alloys and the associated strengthening mechanisms.

We consider the self-evolution of strongly non-equilibrium interacting Bose gas. Due to the mere fact of large (as compared to unity) occupation numbers in the initial state the problem is directly reduced to the question of temporal…

Transparent Al2O3 ceramics have attracted considerable interest for use in a wide range of optical, electronic and structural applications. The fabrication of these ceramics using powder metallurgy processes requires the development of…

Present experiments with Bose condensed gases can be largely described by a semi-ideal two-gas model. In this model, the condensate is influenced only by the mean-field repulsion among condensed atoms, while the thermal cloud is considered…

The article presents an experimental study of an issue of whether the formation of arrays of Ge quantum dots on the Si(001) surface is an equilibrium process or it is kinetically controlled. We deposited Ge on Si(001) at the room…

We report the results of ab initio molecular dynamics simulations of liquid Ga_xAs_{1-x} alloys at five different concentrations, at a temperature of 1600 K, just above the melting point of GaAs. The liquid is predicted to be metallic at…

The results of DFT GGA calculations on oxygen molecules adsorbed upon the (001) surface of uranium mononitride (UN) are presented and discussed. We demonstrate that O2 molecules oriented parallel to the substrate can dissociate either (i)…

Compositionally complex alloys or concentrated solid solutions are the latest frontier in catalyst design, but mixing different elements in one catalyst may result in surface segregation. Atomistic simulations can predict segregation…

We employ force-field molecular dynamics simulations to investigate the kinetics of nucleation to new liquid or solid phases in a dense gas of particles, seeded with ions. We use precise atomic pair interactions, with physically correct…