Related papers: Computer simulated heat flow dynamics in Silicon a…
Differential scanning calorimetry (DSC) is one of the most versatile probes for silicate glasses, allowing determination of, e.g., transition temperatures (glass, crystallization, melting) and the temperature dependence of heat capacity.…
We study the thermophysical properties of dense helium plasmas by using quantum molecular dynamics and orbital-free molecular dynamics simulations, where densities are considered from 400 to 800 g/cm$^{3}$ and temperatures up to 800 eV.…
The dynamics of the luminescence decay from germanium nanocrystals embedded in crystalline silicon has been studied for temperatures varied between 16 K and room temperature. At room temperature the characteristic decay time is of the order…
A combination of experimental techniques and molecular dynamics (MD) computer simulation is used to investigate the diffusion dynamics in Al80Ni20 melts. Experimentally, the self-diffusion coefficient of Ni is measured by the long-capillary…
We study the rotational and vibrational heating of diatomic molecules placed near a surface at finite temperature on the basis of macroscopic quantum electrodynamics. The internal molecular evolution is governed by transition rates that…
The temperature dependence of dark conductivity at low temperatures (300-15 K) was studied on a wide microstructural range of well-characterized highly crystallized single phase undoped microcrystalline silicon samples. Our study reveals…
The multiscale flow structure in the solar convection zone - the coexistence of such features as the granules, mesogranules, supergranules and giant cells - has not yet been properly understood. Here, the possible role of one physical…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
Temperature rise of qubits due to heating is a critical issue in large-scale quantum computers based on quantum-dot (QD) arrays. This leads to shorter coherence times, induced readout errors, and increased charge noise. Here, we propose a…
Ab initio molecular dynamics simulation is used to investigate the structure and dynamics of liquid Se at temperatures of 870 and 1370~K. The calculated static structure factor is in excellent agreement with experimental data. The…
The dynamical properties of Cu in a regime relevant to femtosecond micro machining are obtained on picosecond time scales using pump-probe reflectivity study for 100fs, 1015 W cm-2 laser pulses. The electrical resistivity is obtained by…
In this paper we describe a spatial decomposition of the thermal conductivity, what we name "site-projected thermal conductivity", a gauge of the thermal conduction activity at each site. The method is based on the Green-Kubo formula and…
Hot dense helium is studied with first-principles computer simulations. By combining path integral Monte Carlo and density functional molecular dynamics, a large temperature and density interval ranging from 1000 to 1000000 K and 0.4 to 5.4…
We analyse the correlated back and forth dynamics and dynamic heterogeneities, i.e. the presence of fast and slow ions, for a lithium metasilicate system via computer simulations. For this purpose we define, in analogy to previous work in…
This paper presents a theoretical and experimental investigation of photon diffusion in highly absorbing microscale graphite. An Nd:YAG continuous wave (CW) laser is used to heat the graphite samples with thicknesses of 40 microns and 100…
Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity…
Using empirical potential molecular dynamics we compute dynamical matrix eigenvalues and eigenvectors for a 4096 atom model of amorphous silicon and a set of models with voids of different size based on it. This information is then employed…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
Review paper on computer simulations of the dynamics of supercooled silica.
Increasing shares of fluctuating renewable energy sources induce higher and higher power flow variability at the transmission level. The question arises as to what extent existing networks can absorb additional fluctuating power injection…