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Context. The gas kinetic temperature (TK) determines the physical and chemical evolution of the Interestellar Medium (ISM). However, obtaining reliable TK estimates usually requires expensive observations including the combination of…
We explore the pressure dependence of a set of properties of simple monohydric alcohols, namely of methanol, ethanol and 1-propanol, by using isobaric-isothermal molecular dynamics computer simulations. A recently proposed united atom,…
The evolution of a dilute electron-positron fireball is calculated in the regime of strong magnetization and very high compactness (l ~10^3-10^8). Heating is applied at a low effective temperature (< 25 keV), and the fireball is allowed to…
A theoretical model is considered to predict the minimum ambient gas temperature at which fine iron particles can undergo thermal runaway--the ignition temperature. The model accounts for Knudsen transition transport effects, which become…
A recent neutron analysis of experiments conducted at the National Ignition Facility (NIF) has revealed deviations from the Maxwellian distributions in the ion relative kinetic energy of burning plasmas, with the surprising emergence of…
Recent dynamic compression experiments [M. D. Knudson et al., Science 348, 1455 (2015); P. M. Celliers et al., Science 361, 677 (2018)] have observed the insulator-metal transition in dense liquid deuterium, but with an approximately 95 GPa…
We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. They include the temperature-pressure(density) dependence of…
Axisymmetric simulations of a liquid rocket engine are performed using a delayed detached-eddy-simulation (DDES) turbulence model with the Compressible Flamelet Progress Variable (CFPV) combustion model. Three different pressure instability…
The thermonuclear burn-up of highly compressed deuterated methane CD$_4$ is considered in the spherical geometry. The minimal required values of the burn-up parameter $x = \rho_0 \cdot r_f$ are determined for various temperatures $T$ and…
The electron and gas temperature of non-equilibrium argon plasma torch sustained by a focused 24 GHz microwave beam in the external atmosphere of air was measured by optical emission spectroscopy. The excitation temperature of argon atoms…
We calculated reaction rate constants including atom tunneling for the hydrogen abstraction reaction CH3OH+H -> CH2OH+H2 with the instanton method. The potential energy was fitted by a neural network, that was trained to…
An optically thin $p$-$^{11}$B plasma loses more energy to bremsstrahlung than it gains from fusion reactions, unless the ion temperature can be elevated above the electron temperature. In thermal plasmas, the temperature differences…
Using molecular dynamics simulations and the ReaxFF force field, we studied a composite based on cubic (c-BN) and hexagonal (h-BN) boron nitride subjected to different temperatures to verify the possibility of a c-BN to h-BN phase…
At the Institute for Thermodynamics and Thermal Process Engineering (ITT) about 100 molecular models for pure substances have been developed so far. These models reproduce vapor pressure, saturated liquid density, and enthalpy of…
Compacted unsaturated swelling clay is often considered as a possible buffer material for deep nuclear waste disposal. An isotropic cell permitting simultaneous control of suction, temperature and pressure was used to study the…
A crucial factor in the stability of high-pressure rocket-scale combustors is the temperature at which fuel is injected. This study investigates its effect on the stability of supercritical liquid oxygen (LOx)-methane combustion and…
The equation of state (EOS) of materials at warm dense conditions poses significant challenges to both theory and experiment. We report a combined computational, modeling, and experimental investigation leveraging new theoretical and…
Numerical simulations of a partially-premixed, turbulent jet diffusion flame stabilised in a hot vitiated co-flow are performed. For auto-igniting flames, an accurate prediction of flame stabilisation, which depends on a delicate balance…
Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-oxide (MOX) fuel in the approximation of rigid ions and pair interactions (RIPI) using high-performance graphics processors (GPU). In this…
The National Ignition Facility (NIF) technology is designed to drive deuterium-tritium (DT) internal confinement fusion (ICF) targets to ignition using indirect radiation from laser beam energy captured in a hohlraum. Hydrodynamical…