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Recent dramatic improvements in the modeling of abundance evolution due to diffusion in A stars have been achieved with the help of monochromatic opacity tables from the OPAL group. An important result in the context of stellar pulsations…
Elucidating the interplay of defect and stress at the microscopic level is a fundamental physical problem that has strong connection with materials science. Here, based on the two-dimensional crystal model, we show that the instability mode…
The process of formation of the participant system in heavy-ion collisions is investigated in the framework of a simplified analytic Glauber-like model, which is based on the relativistic Boltzmann transport equation. The key point lies in…
In a large variety of ideal crystals we found that when rapidly migrating atoms squash or annihilate a neighbouring vacancy and produce a disordered cluster, the heat of migration stored in the system exceeds the enthalpy increase required…
We have investigated the trends in the formation of carbon vacancies in binary transition metal (TM) carbides using density functional calculations for two common TM carbide crystal structures, namely the B1 (rock-salt) and WC structure…
Recent experiments on in-situ high-energy self-ion irradiation of tungsten (W) show the occurrence of unusual cascade damage effects resulting from single ion impacts, shedding light on the nature of radiation damage expected in the…
We review general characteristics of massive stars, present the main observable constraints that stellar models should reproduce. We discuss the impact of massive star nucleosynthesis on the early phases of the chemical evolution of the…
Thanks to the long-term collaborations between nuclear and astrophysics, we have good understanding on the origin of elements in the universe, except for the elements around Ti and some neutron-capture elements. From the comparison between…
Contemporary science is witnessing a rapid expansion of the two-dimensional (2D) materials family, each member possessing intriguing emergent properties of fundamental and practical importance. Using the particle-swarm optimization method…
Proposed as blanket structural materials for fusion power reactors, reduced activation ferritic/martensitic (RAFM) steel undergoes volume expanding and contracting in a cyclic mode under service environment. Particularly, being subjected to…
Refractory High-Entropy Alloys (RHEAs) hold promising potential to be used as structural materials in future nuclear fusion reactors, where W and its alloys are currently leading candidates. Fusion materials must be able to withstand…
We carry out generalized-ensemble molecular dynamics simulations of the formation of small Helium (He) clusters in bulk Tungsten (W), a process of practical relevance for fusion energy production. We calculate formation free energies of…
Conventional Oxide dispersion strengthened steels are characterized by thermally stable, high density of Y-Ti-O nanoclusters, which are responsible for their high creep strength. Ti plays a major role in obtaining a high density of…
In this paper I discuss the electronic structure and properties of a specific, rather unconventional class of transition metal (TM) compounds, e.g. TM oxides, which formally have unusually high values of the oxidation state, or valence, of…
The thermodynamic and kinetic properties of mono and di-vacancy defects in cubic (para-electric) barium titanate are studied by means of density-functional theory calculations. It is determined which vacancy types prevail for given…
The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…
We have investigated the role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2 using LSDA+U approach which takes into account strong on-cite Coulomb correlations for electronic…
Migration is a key ingredient for the formation of close-in super-Earth and mini-Neptune systems, as it sets in which resonances planets can be trapped. Slower migration rates result in wider resonance configurations compared to higher…
We report a recently discovered counterintuitive effect where breaking of a Langmuir wave in a plasma wakefield accelerator leads to an increase in the accelerating field rather than wave dissipation. The effect relies on the ability of…
We theoretically study the structural stability of $R$Fe$_{12}$ with the ThMn$_{12}$ structure ($R$: rare-earth elements, La, Pr, Nd, Sm, Gd, Dy, Ho, Er, Tm, Lu, Y, or Sc, or group-IV elements, Zr or Hf) based on density functional theory.…