Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …

Literature data on the thermophysical properties of the Lennard-Jones fluid, which were
sampled with molecular dynamics and Monte Carlo simulations, were reviewed and …

An efficient and robust on-the-fly machine learning force field method is developed and
integrated into an electronic-structure code. This method realizes automatic generation of …

Two procedures were developed to fit interatomic potentials of the embedded-atom method
(EAM) form and applied to determine a potential which describes crystalline and liquid iron …

The kinetics and microscopic mechanisms of laser melting and disintegration of thin Ni and
Au films irradiated by a short, from 200 fs to 150 ps, laser pulse are investigated in a coupled …

Water plays a critical role in erosion and sediment transport and this relationship is most
evident in the hyperarid Atacama Desert of Northern Chile, a region characterized by …

In this work we present an implementation for the calculation of the melting point of ice I h
from direct coexistence of the solid-liquid interface. We use molecular dynamics simulations …

Due to its technological importance, modeling of dendrite growth in pure metals and alloys
remains a significant challenge in the field of materials science. In this review recent …

New interatomic potentials describing defects, plasticity, and high temperature phase
transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation …

Melting is a common and well-studied phenomenon that still reveals new facets when
triggered by laser excitation and probed with ultrafast electron diffraction. Recent …