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The degradation of liquid dispersed titanium (IV) sulphide (TiS$_2$) is studied from the point of view of oxidisation. TiS$_2$ is a layered two-dimensional nanomaterial, with potential for energy storage applications. However, flakes in…
We describe the thermodynamic state of a highly confined single-phase and single-component fluid in a slit pore using Hill's thermodynamics of small systems. This theory was more recently named nanothermodynamics. We start by constructing…
TiO$_{2}$ nanoparticles (NPs) have unique photocatalytic properties, which are used in food industries, medicine, biosensorics, and solar energy conversion. Since the toxic properties of TiO$_{2}$ NPs have been insufficiently studied,…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
We aim to understand cloud formation in substellar objects. We combined the non-equilibrium, stationary cloud model of Helling, Woitke & Thi (2008; seed formation, growth, evaporation, gravitational settling, element conservation) with the…
In most simulations of fine particles in reacting flows, including sooting flames, enthalpy exchanges between gas and particle phases and differential diffusion between the two phases are most often neglected, since the particle mass…
Plasmas generated using energetic electron beams are well known for their low electron temperature ($T_{e}$) and plasma potential, which makes them attractive for atomic-precision plasma processing applications such as atomic layer etch and…
Using numerical simulations, we study the non-equilibrium coarsening dynamics of a binary solvent around spherical colloids in the presence of a temperature gradient. The coarsening dynamics following a temperature quench is studied by…
Thermodynamic properties of a system of interacting boson particles and antiparticles at finite temperatures are studied within the framework of the thermodynamically consistent Skyrme-like mean-field model. The mean field contains both…
Bosonic condensates offer exciting prospects for studies of non-equilibrium quantum dynamics. Understanding the dynamics is particularly challenging in the sub-picosecond timescales typical for room temperature luminous driven-dissipative…
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…
In the present work, the discrete flame model [1] is augmented by introducing the thermal inertia of particles in the preheating zone. The effect of particle thermal inertia on flame speed, propagation limits, and near-limits dynamics of…
Particle beds are widely used in various systems and processes, such as particle heat exchangers, granular flow reactors, and additive manufacturing. Accurate modeling of thermal conductivity of particle beds and understanding of their heat…
Silicon, despite its abundance and high energy density, remains underexplored as a carbon-free fuel, with limited data available on its combustion characteristics. In this work, the combustion behaviour of silicon particles is examined…
The mechanical behavior of a Mo-TiC30 vol.% ceramic-metal composite was investigated over a large temperature range (25^{\circ}C to 700^{\circ}C). High-energy X-ray tomography was used to reveal the percolation of the hard titanium carbide…
There are many interesting physical processes which involve the generation of high density plasmas in large volumes. However, when modeling these systems numerically, the large densities and volumes present a significant computational…
The thermal characteristics of silicon between 15 and 300 deg K are investigated by applying a computer program on the solution of the differential heat diffusion equation. The computer model is linked to high-purity silicon through a set…
The Synchronized Molecular-Dynamics simulation which was recently proposed by authors [Phys. Rev. X {\bf 4}, 041011 (2014)] is applied to the analysis of polymer lubrication between parallel plates. The rheological properties,…
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…
The behavior of fluids in the vicinity of the liquid-gas critical point is studied within the cell fluid model framework. The analytic method for deriving the equation of state of a cell fluid model in the low-temperature region (T<Tc) is…