Related papers: Computer simulation of crystallization kinetics wi…
Molecular crystals often exist in multiple competing polymorphs, showing significantly different physico-chemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful…
The aim of this paper is to give a short review on cluster dynamics modeling in the field of atoms and point defects clustering in materials. It is shown that this method, due to its low computer cost, can handle long term evolution that…
The results of theoretical investigation of angular distributions of radiation from a relativistic electron passing through a thin crystal at a small angle to the crystal axis are presented. The electron trajectories in crystal were…
This work further investigates an aspect of the phase behavior of hard circular arcs, whose phase diagram has been recently calculated by Monte Carlo numerical simulations: the non-nematicity of the filamentary phase that hard minor…
The change in the angular momentum of an atomic cluster following evaporation is investigated using rigorous phase space theory and molecular dynamics simulations, with an aim at the possible rotational cooling and heating effects.…
Atomistic simulations are used to test the equations of continuum contact mechanics in nanometer scale contacts. Nominally spherical tips, made by bending crystals or cutting crystalline or amorphous solids, are pressed into a flat, elastic…
To date, the magnetic structure of nuclei has been poorly constrained, with limited information on its spatial distribution. In this work, we address the composition and distribution of nuclear magnetization in a precision study of…
We consider proton-nucleus collisions at high energy in the Color Glass Condensate framework, and extract from the gluon production cross-section the probabilities of having a definite number of multiple scatterings in the nucleus. Various…
Nuclear model effects in neutrino-nucleus quasielastic scattering are studied within the distorted wave impulse approximation, using a relativistic shell model to describe the nucleus, and comparing it with the relativistic Fermi gas. Both…
The mass (volume and areal densities) versus velocity as well as the size versus velocity distributions of a shock-induced cloud of particles are investigated using large scale molecular dynamics (MD) simulations. A generic 3D tin crystal…
The goal of this minireview is restricted to describe how the Kolmogorov-Johnson-Mehl-Avrami model has evolved from its birth up to the present day. The model, which dates back to the late of 1930s, has the purpose of describing the…
While statistical mechanics provides a comprehensive framework for the understanding of equilibrium phase behavior, predicting the kinetics of phase transformations remains a challenge. Classical nucleation theory (CNT) provides a…
On the basis of our general theoretical results developed previously in JETP 112, 246 (2011), we calculate the spatial distribution of atoms excited in a dense and cold atomic cloud by weak monochromatic light. We also study the atomic…
Aims. Numerical test-particle simulations are a reliable and frequently used tool to test analytical transport theories and to predict mean-free paths. The comparison between solutions of the diffusion equation and the particle flux is used…
The processes of radiation defects formation and evolution have been simulated in cubic dielectric crystals by the computational method of cellular automata. If suppose that the defects concentration as a parameter, which characterizes a…
Thanks to J.~Schwinger, the process of elastic scattering of neutrons by nuclei is known to depend on the interference between a nuclear amplitude and an electromagnetic one for small scattering angles, resulting in spin asymmetries of a…
Nucleation in supersaturated vapor is investigated with two series of molecular dynamics simulations in the canonical ensemble. The applied methods are: (a) analysis of critical nuclei at moderate supersaturations by simulating equilibria…
A widely spread method of crystal preparation is to precipitate it from a supersaturated solution. In such a process, control of solution concentration is of paramount importance. Nucleation process, polymorph selection, and crystal habits…
In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…
Background: Exotic non-spherical nuclear pasta shapes are expected in nuclear matter at just below saturation density because of competition between short range nuclear attraction and long range Coulomb repulsion. Purpose: We explore the…