Related papers: Dynamical continuum simulation of condensed matter…
We present an updated general purpose nuclear equation of state (EoS) for use in simulations of core-collapse supernovae, neutron star mergers and black hole collapse. This EoS is formulated in the context of Density Functional Theory (DFT)…
In this review article we discuss selected developments regarding the role of the equation of state (EOS) in simulations of core-collapse supernovae. There are no first-principle calculations of the state of matter under supernova…
Simple and robust algorithms are developed for compressible Euler equations with the stiffened gas equation of state (EOS), representing gaseous mixtures in thermal equilibrium and without chemical reactions. These algorithms use a fully…
We introduce a general method to merge multidimensional equations of state (EoSs) by combining them in a two-fluid equilibrium statistical mixture in the grand canonical ensemble. The merged grand potential density $\omega$ is built…
Numerical simulations of compressible fluid flows require an equation of state (EOS) to relate the thermodynamic variables of density, internal energy, temperature, and pressure. A valid EOS must satisfy the thermodynamic conditions of…
Equations of State (EoS) for fluids have been a staple of engineering design and practice for over a century. Available EoS are based on the fitting of a closed-form analytical expression to suitable experimental data. The underlying…
Many-mode interacting Bose gases (1D,2D,3D) are simulated from first principles. The model uses a second-quantized Hamiltonian with two-particle interactions (possibly ranged), external potential, and interactions with an environment, with…
We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…
First results from a fully self-consistent, temperature-dependent equation of state that spans the whole density range of neutron stars and supernova cores are presented. The equation of state (EoS) is calculated using a mean-field…
We have constructed a nuclear equation of state (EOS) that includes a full nuclear ensemble for use in core-collapse supernova simulations. It is based on the EOS for uniform nuclear matter that two of the authors derived recently, applying…
Mesoscale phenomena -- involving a level of description between the finest atomistic scale and the macroscopic continuum -- can be studied by a variation on the usual atomistic-level molecular dynamics (MD) simulation technique. In…
The relationships among the pressure P, volume V, and temperature T of solid-state materials are described by their equations of state (EOSs), which are often derived from the consideration of the finite-strain energy or the interatomic…
We introduce a practical hybrid approach that combines orbital-free density functional theory (DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations. Equilibrated ionic configurations are generated using…
We introduce GausSim, a novel neural network-based simulator designed to capture the dynamic behaviors of real-world elastic objects represented through Gaussian kernels. We leverage continuum mechanics and treat each kernel as a Center of…
In the context of the recently developed "equation-free" approach to the computer-assisted analysis of complex systems, we illustrate the computation of coarsely self-similar solutions. Dynamic renormalization and fixed point algorithms for…
We construct the equation of state (EOS) of dense matter covering a wide range of temperature, proton fraction, and density for the use of core-collapse supernova simulations. The study is based on the relativistic mean-field (RMF) theory,…
Due to critical environmental and technological issues, there is a pressing need to switch from current refrigeration methods based on compression of gases to novel solid-state cooling technologies. Solid-state cooling is based on the…
First principles calculations based on density functional theory, with generalised gradient corrections and ultrasoft pseudopotentials, have been used to simulate solid and liquid aluminium in direct coexistence at zero pressure.…
Numerical simulations of high energy-density experiments require equation of state (EOS) models that relate a material's thermodynamic state variables -- specifically pressure, volume/density, energy, and temperature. EOS models are…
We perform all-electron path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of oxygen. Our simulations cover a wide density-temperature range of…