Related papers: Sampling in the multicanonical ensemble: Small He …
The production of energy through nuclear fusion poses serious challenges related to the stability and performance of materials in extreme conditions. In particular, the constant bombardment of the walls of the reactor with high doses of He…
Molecular dynamics (MD) simulations were performed to study the cumulative bombardments of low-energy (60-200 eV) helium (He) atoms on tungsten (W) surfaces. The behaviour of He and the response of the W surface were investigated. The He…
Materials used in commercial D-T fusion reactors will be exposed to irradiation and a mixture of helium and hydrogen plasma. Modeling the microstructural evolution of such materials requires the use of large-scale molecular dynamics…
Under low energy and high flux/fluence irradiation of helium (He) atoms, the formation and bursting of He bubbles on tungsten (W) surfaces play important roles in the morphological evolution of component surfaces and impurity production in…
A structural study of the smaller Li$^+$He$_n$ clusters with $n\le30$ has been carried out using different theoretical methods. The structures and the energetics of the clusters have been obtained using both classical energy minimization…
Tungsten (W) is the leading candidate material for plasma-facing components in fusion reactors, yet its upper operational temperature is limited by premature grain growth and recrystallization processes. Irradiation adds further…
Most stars form in clumpy and sub-structured clusters. These properties also emerge in hydro-dynamical simulations of star-forming clouds, which provide a way to generate realistic initial conditions for $N-$body runs of young stellar…
In this article, we study the production of Hydrogen and Helium isotopes in heavy-ion collisions in the incident energy range between 80 and 150 MeV/nucleon. We compare their inclusive multiplicities emitted in the transverse plane of the…
The abundances of light clusters within a formalism that considers in-medium effects are calculated using several relativistic mean-field models, with both density-dependent and density-independent couplings. Clusters are introduced as new…
In nuclear fusion reactors, tungsten will be exposed to high neutron loads at high temper atures (>900 C). The evolution and degradation of the mechanical properties under these conditions is uncertain and therefore constitutes a major…
We use coupled-cluster quantum chemical methods to calculate the energetics of molecular clusters cut out of periodic molecular hydrogen structures that model observed phases of solid hydrogen. The hydrogen structures are obtained from…
We introduce the Hydrangea simulations, a suite of 24 cosmological hydrodynamic zoom-in simulations of massive galaxy clusters (M_200c = 10^14-10^15 M_Sun) with baryon particle masses of ~10^6 M_Sun. Designed to study the impact of the…
Accurately quantifying the transmutation rate of tungsten (W) under neutron irradiation is a necessary requirement in the assessment of its performance as an armour material in a fusion power plant. The usual approach of calculating average…
The structural and dynamical properties of OCS molecules solvated in Helium clusters are studied using reptation quantum Monte Carlo, for cluster sizes n=3-20 He atoms. Computer simulations allow us to establish a relation between the…
The formation of weakly bound clusters in the hot and dense environment at midrapidity is one of the surprising phenomena observed experimentally in heavy-ion collisions from a low center of mass energy of a few GeV up to a…
We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method (MEAM) interatomic potentials are used to describe the interaction between tungsten atoms. The melting temperature of…
The formation of molecular clouds out of HI gas is the first step toward star formation. Its metallicity dependence plays a key role to determine star formation through the cosmic history. Previous theoretical studies with detailed chemical…
We investigate the formation of protostellar clusters during the collapse of dense molecular cloud cores with a focus on the evolution of potential and kinetic energy, the degree of substructure, and the early phase of mass segregation. Our…
We present results of computer simulations of a parahydrogen cluster of a thousand molecules, corresponding to approximately 4 nm in diameter, at temperatures between 1 K and 10 K. Examination of structural properties suggests that the…
Understanding the dynamic behavior of microstructures formed under fusion conditions is critical for designing high-performance structural materials for fusion reactors. Under fusion conditions, cavities of core-shell structures are formed…