Related papers: High-Temperature Effects for Transition State Calc…
La3Co4Sn13 is a superconducting material with transition temperature at Tc = 2.70 K, which presents a superlattice structural transition at T* ~ 150 K, a common feature for this class of compounds. However, for this material, it is not…
We present calculations of free energy barriers and diffusivities as functions of temperature for the diffusion of hydrogen in bcc-Fe. This is a fully quantum mechanical approach since the total energy landscape is computed using a new self…
Vibrational heat transport in molecular junctions is a central issue in different contemporary research areas like Chemistry, material science, mechanical engineering, thermoelectrics and power generation. Our model system consists of a…
Accurate prediction of electron temperature ($T_{\rm e}$) in non-equilibrium plasma flows is critical for applications ranging from hypersonic flight to plasma-assisted combustion. We recently proposed a thermodynamically consistent model…
We study the superconducting transition temperature and the electronic properties of the metallic phase of $\kappa$-type (BEDT-TTF)$_2$X which shows unconventional properties in experiments, on the basis of the third order perturbation…
Targeting a cone with the half-angle as 10-deg at M = 27 and H = 72 km, simulations were conducted comparatively to analyze the predictions by different equilibrium and non-equilibrium gas models. Following validation and grid studies,…
I discuss recent developments in lattice QCD thermodynamics on the nature of the transition at finite temperature and density, equation of state, screening of static charges and meson spectral functions at high temperatures.
Strong non-relativistic shocks are known to accelerate particles up to relativistic energies. However, for Diffusive Shock Acceleration electrons must have a highly suprathermal energy, implying a need for very efficient pre-acceleration.…
The collision cross sections (CCS), momentum transfer cross sections (MTCS), or scattering cross sections (SCS) of an electron neutral pair are important components for computing the electric conductivity of a plasma gas. Larger collision…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
In this work we study the role of the heat diffusion equation in simulating the resistive state of superconducting films. By analyzing the current-voltage and current-resistance characteristic curves for temperatures close to $T_c$ and…
Using direct atomic simulations, the vibration scattering time scales are characterized, and then the nature and the quantitative weight of thermal excitations are investigated in an example system Li2S from its amorphous solid state to its…
High order perturbation theory corrections to the superfluid transition temperature in a weakly interacting Fermi gas with repulsive interaction are calculated. This involves calculating the contributions of third and fourth order diagrams…
We present a detailed experimental study of a three-dimensional lin$\perp$lin bright optical lattice. Measurements of the atomic temperature and spatial diffusion coefficients are reported for different angles between the lattice beams,…
When the energy content of a resonant mode of a crystalline solid in thermodynamic equilibrium is directly measured, assuming that quantum effects can be neglected it coincides with temperature except for a proportionality factor. This is…
The coherent lattice vibrations significantly impact physical and chemical processes in solids, such as heat transfer, displacive phase transitions, and thermal conductivity. Thus, probing lattice dynamics in real-space and real-time is…
We measure the defect density as a function of time at different temperatures in simulations of a two dimensional system of interacting particles. Just above the solid to liquid transition temperature, the power spectrum of the defect…
Electron-ion interactions play a central role for the energy relaxation processes and ultra-fast structure dynamics in laser-heated matter. The accurate prediction of the electron-ion energy exchange in a transient excited two-temperature…
Finite temperature lattice simulations of quantum chromodynamics (QCD) are sensitive to the hadronic mass spectrum for temperatures below the "critical" temperature T_c ~ 160 MeV. We show that a recent precision determination of the QCD…
Jamming is a geometric phase transition occurring in dense particle systems in the absence of temperature. We use computer simulations to analyse the effect of thermal fluctuations on several signatures of the transition. We show that…