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Many advanced quantum techniques feature non-Gaussian dynamics, and the ability to manipulate the system in that domain is the next-stage in many experiments. One example of meaningful non-Gaussian dynamics is that of a double-well…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
Thermodynamics of nanoscale devices is an active area of research. Despite their noisy surrounding they often produce mechanical work (e.g. micro-heat engines), display rectified Brownian motion (e.g. molecular motors). This invokes…
The thermal dynamics induced by ultrashort laser pulses in nanoscale systems, i.e. all-optical time-resolved nanocalorimetry is theoretically investigated from 300 to 1.5 K. We report ab-initio calculations describing the temperature…
Ionization threshold energies of Al$_n$ (n=32-95) nanoclusters are determined by laser ionization of free neutral metal clusters thermalized to several temperatures in the range from 65 K to 230 K. The photoion yield curves of cold clusters…
Based on the theory of the thermodynamic equilibrium in a system of quantum vortices in superfluids in the presence of a counterflow, the influence of a vortex tangle on various thermodynamic phenomena in quantum liquids is studied. Using…
Ensemble averaging of molecular states is fundamental for the experimental determination of thermodynamic quantities. A special case occurs for single-molecule investigations under equilibrium conditions, for which free energy, entropy and…
Thermal relaxation of nanoscale magnetic islands, mimicking Ising macrospins, is indispensable for studies of geometrically frustrated artificial spin systems and low-energy nanomagnetic computation. Currently-used heating schemes based on…
The interplay of disorder and strong correlations in quantum many-body systems remains an open question. That is despite much progress made in recent years with ultracold atoms in optical lattices to better understand phenomena such as…
The modelling of quantum heat transfer processes at the nanoscale is crucial for the development of energy harvesting and molecular electronics devices. Herein, we adopt a mixed quantum-classical description of a device, in which the open…
We have obtained effective medium theory (EMT) interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from simulations of such glasses over a range of compositions. We…
The energy efficiency and power of a three-terminal thermoelectric nanodevice are studied by considering elastic tunneling through a single quantum dot. Facilitated by the three-terminal geometry, the nanodevice is able to generate…
We investigate thermopower and thermoelectric coefficient of nano-granular materials at large tunneling conductance between the grains, g_{T} >> 1. We show that at intermediate temperatures, T >= g_{T}\delta, where \delta is the mean energy…
We use numerical linked cluster expansions to study thermodynamic properties of the two-dimensional spin-1/2 Ising, XY, and Heisenberg models with bimodal random-bond disorder on the square and honeycomb lattices. In all cases, the…
Starting from a Huxley-type model for an agitated vibrational mode, we propose an embedding of standard active particle models in terms of two-temperature processes. One temperature refers to an ambient thermal bath, and the other…
We demonstrate that the melting points and other thermodynamic quantities of the alkali metals can be calculated based on static crystalline properties. To do this we derive analytic interatomic potentials for the alkali metals fitted…
Current methods to describe the thermodynamic behavior of many-particle systems are often based on perturbation theory with an unperturbed system consisting of free particles. Therefore, only a few methods are able to describe both strongly…
The thermoelectric properties of quantum dot arrays (QDAs) embedded in nanowires connected to electrodes are studied theoretically in the Coulomb blockade regime. A Hurbbard-Anderson model is used to simulate the electronic contribution to…
This study investigates the molecular-level mechanism of Alternating Current Electrohydrodynamic (AC-EHD) flow in nanopores under high-frequency conditions, using molecular dynamics simulations. A gold-NaCl system with symmetric and…
In this study, an efficient first-principles approach for calculating the thermodynamic properties of mixed metal oxides at high temperatures is demonstrated. More precisely, this procedure combines density functional theory and harmonic…