We performed a numerical simulation of pool boiling by a molecular dynamics model. In the simulation, a liquid composed of Lennard-Jones particles in a uniform gravitational field is heated by a heat source at the bottom of the system. The model successfully reproduces the change in regimes of...

We study explosive gas–liquid flows caused by rapid depressurization using a molecular dynamics model of Lennard-Jones particle systems. A unique feature of our model is that it consists of two types of particles: liquid particles, which tend to form liquid droplets, and gas particles, which...

We simulate gas–liquid flows caused by rapid depressurization using a molecular dynamics model. The model consists of two types of Lennard-Jones particles, which we call liquid particles and gas particles. These two types of particles are distinguished by their mass and strength of...

Size-dependent elastic properties of Ni nanofilms are investigated by molecular dynamics (MD) simulations with embedded atom method (EAM). The surface effects are considered by calculating the surface relaxation, surface energy, and surface stress. The Young's modulus and yield stress are...

We present new generalized-ensemble molecular dynamics and Monte Carlo simulation methods, which we refer to as the multibaric–multithermal algorithms. The multibaric–multithermal simulations perform random walks widely both in the potential-energy space and in the volume space. From only...

In this work we present an analysis of temperature and pressure time series obtained by microcanonical (constant energy) molecular dynamics simulations. Simulations in the solid and fluid states were performed using a Lennard–Jones potential to describe atomic interactions. Several points of...