Self-diffusion of a relativistic Lennard-Jones gas via semirelativistic molecular dynamics
Abstract:
The capability for molecular dynamics simulations to treat relativistic dynamics is extended by the inclusion of relativistic kinetic energy. In particular, relativistic corrections to the diffusion coefficient are considered for an argon gas modeled with a Lennard-Jones interaction. Forces are transmitted instantaneously without being retarded, an approximation that is allowed due to the short-range nature of the Lennard-Jones interaction. At a mass density of 1.4g/cm3, significant deviations from classical results are observed at temperatures above kBT≈0.05mc2, corresponding to an average thermal velocity of 32% of the speed of light. For temperatures approaching kBT≈mc2, the semirelativistic simulations agree with analytical results for hard spheres, which is seen to be a good approximation as far as diffusion effects are concerned.Non-thermal evolution of dense plasmas driven by intense x-ray fields
Abstract:
The advent of x-ray free-electron lasers has enabled a range of new experimental investigations into the properties of matter driven to extreme conditions via intense x-ray-matter interactions. The femtosecond timescales of these interactions lead to the creation of transient high-energy-density plasmas, where both the electrons and the ions may be far from local thermodynamic equilibrium. Predictive modelling of such systems remains challenging because of the different timescales at which electrons and ions thermalize, and because of the vast number of atomic configurations required to describe highly-ionized plasmas. Here we present CCFLY, a code designed to model the time-dependent evolution of both electron distributions and ion states interacting with intense x-ray fields on ultra-short timescales, far from local thermodynamic equilibrium. We explore how the plasma relaxes to local thermodynamic equilibrium on femtosecond timescales in terms of the charge state distribution, electron density, and temperature.