Related papers: Incomplete melting of the Si(100) surface from mol…
The effect of edge on wetting and layering transitions of a three-dimensional spin-1/2 Ising model is investigated, in the presence of longitudinal and surface magnetic fields, using mean field (MF) theory and Monte Carlo (MC) simulations.…
Molecular simulation study of the heat capacity of metastable water between 100K and 300K Molecular simulations have been used to study the heat capacity of metastable liquid water at low temperature adsorbed on a smooth surface. These…
We perform molecular dynamics and Monte Carlo simulations of two-dimensional melting with dipole-dipole interactions. Both static and dynamic behaviors are examined. In the isotropic liquid phase, the bond orientational correlation length 6…
We study the rotational and vibrational heating of diatomic molecules placed near a surface at finite temperature on the basis of macroscopic quantum electrodynamics. The internal molecular evolution is governed by transition rates that…
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…
Thermodynamical properties of an interacting boson system at finite temperatures and zero chemical potential are studied within the framework of the Skyrme-like mean-field toy model. It is assumed that the mean field contains both…
We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2)…
Using the model of hexagonal clusters we express the surface, curvature and Gauss curvature coefficients of the nuclear binding energy in terms of its bulk coefficient. Using the derived values of these coefficients and a single fitting…
The thermal evolution of a few thermodynamic properties of the nuclear surface like its thermodynamic potential energy, entropy and the symmetry free energy are examined for both semi-infinite nuclear matter and finite nuclei. The…
The melting curve of aluminium has been determined from 0 to ~150 GPa using first principles calculations of the free energies of both the solid and liquid. The calculations are based on density functional theory within the generalised…
We introduce a numerical workflow to model and simulate transient close-contact melting processes based on the space-time finite element method. That is, we aim at computing the velocity at which a forced heat source melts through a…
We present extensive numerical investigations of the structural relaxation dynamics of a realistic model of the amorphous high-temperature ceramic a-Si$_3$B$_3$N$_7$, probing the mean square displacement (MSD) of the atoms, the bond…
We analyze the surface energy and boundary layers for a chain of atoms at low temperature for an interaction potential of Lennard-Jones type. The pressure (stress) is assumed small but positive and bounded away from zero, while the…
Experimental determination of absolute surface energies remains a challenge. We propose a simple method based on two independent measurements on 3D and 2D equilibrium shapes completed by the analysis of the thermal fluctuation of an…
In this work, we investigate the temperature-dependent behavior of the pure (undoped) Cu(100) surface using first-principles calculations within the Density Functional Theory framework. One of the main objectives is to determine whether the…
Temperature dependent relativistic mean-field (RMF) plus BCS approach has been used for the first time to investigate the anti-bubble effect of the temperature and deformation in the light, medium-heavy and superheavy nuclei. Influence of…
A glass surface may still flow below the bulk glass transition temperature, where the underlying bulk is frozen. Assuming the existence at T=T* of a bulk thermodynamical glass transition, we show that the glass-vapor interface is generally…
This work presents a self-heating study of a 40-nm bulk-CMOS technology in the ambient temperature range from 300 K down to 4.2 K. A custom test chip was designed and fabricated for measuring both the temperature rise in the MOSFET channel…
Context. We investigate the binding energies of atoms to interstellar dust particles, which play a key role in their growth and evolution, as well as for the chemical reactions on their surfaces. Aims. We aim to compute the binding energies…
A coherent Ising machine (CIM) is known to deliver the low-energy states of the Ising model. Here, we investigate how well the CIM simulates the thermodynamic properties of a two-dimensional square-lattice Ising model. Assuming that the…