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Prediction models of lattice thermal conductivity have wide applications in the discovery of thermoelectrics, thermal barrier coatings, and thermal management of semiconductors. kL is notoriously difficult to predict. While classic models…
Accurate thermal modeling of Terminal Test Masses (TTMs) is crucial for optimizing the sensitivity of gravitational wave interferometers like Virgo. In fact, in such gravitational wave detectors even minimal laser power absorption can…
This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…
A 3D thermoelectric numerical model is used to investigate different internal heat loss mechanisms for a thermoelectric generator with bismuth telluride p- and n-legs. The model considers all thermoelectric effects, temperature dependent…
In this laboratory-based study, a plate was designed, manufactured and then characterised thermally and dimensionally using a thermal imager. This plate comprised a range of known scratch, dent, thinning and pitting artefacts as mimics of…
The performance of density functional theory (DFT) approximations for predicting materials thermodynamics is typically assessed by comparing calculated and experimentally determined enthalpies of formation from elemental phases, {\Delta}Hf.…
Ultrafast laser excitation can induce fast increases of the electronic subsystem temperature. The subsequent electronic evolutions in terms of band structure and energy distribution can determine the change of several thermodynamic…
Spectral energy distributions for models of arbitrarily rotating stars are computed using two dimensional rotating stellar models, NLTE plane parallel model atmospheres, and a code to integrate the appropriately weighted intensities over…
The physical mechanism for metal ablation induced by femtosecond laser irradiation was investigated. Results of calculations based on finite-temperature density functional theory (FTDFT) indicate that condensed copper becomes unstable at…
We present a technique based on high resolution imaging to measure the absolute temperature and the heating rate of a single ion trapped at the focus of a deep parabolic mirror. We collect the fluorescence light scattered by the ion during…
$\textit{In situ}$ environmental transmission electron microscopy (ETEM) is a powerful tool for observing structural modifications taking place in heterogeneous catalysts under reaction conditions. However, to strengthen the link between…
Melting is an everyday phase transition that is determined by thermodynamic parameters like temperature and pressure. In contrast, ultrafast melting is governed by the microscopic response to a rapid energy input and, thus, can reveal the…
Materials with higher operating temperatures than today's state of the art can improve system performance in several applications and enable new technologies. Under most scenarios, a protective oxide scale with high melting temperatures and…
The process of deriving an interatomic potentials represents an attempt to integrate out the electronic degrees of freedom from the full quantum description of a condensed matter system. In practice it is the derivatives of the interatomic…
We calculate the energy deposition by very short laser pulses in SiO_2 (alpha-quartz) with a view to establishing systematics for predicting damage and nanoparticle production. The theoretical framework is time-dependent density functional…
Accurate knowledge of temperatures in power semiconductor modules is crucial for proper thermal management of such devices. Precise prediction of temperatures allows to operate the system at the physical limit of the device avoiding…
Low temperature detectors are nowadays a technology widely used for rare events studies, such as the search for dark matter candidates and neutrino-less double beta decay. The convolution of the thermal and electrical response of these…
A novel formulation of the electron energy relaxation terms is presented here, which is applicable to plasma flows and discharges wherein the electron temperature could be higher or lower than the gas temperature. It is demonstrated that…
A computational method based on a first-principles multiscale simulation has been used for calculating the optical response and the ablation threshold of an optical material irradiated with an ultrashort intense laser pulse. The method…
The free-free opacity in dense systems is a property that both tests our fundamental understanding of correlated many-body systems, and is needed to understand the radiative properties of high energy-density plasmas. Despite its importance,…