Related papers: Collision Cascade-Driven Evolution of Vacancy Defe…
Systems of hard nonspherical particles exhibit a variety of stable phases with different degrees of translational and orientational order, including isotropic liquid, solid crystal, rotator and a variety of liquid crystal phases. In this…
The current work combines the Cluster Dynamics (CD) technique and CALPHAD-based precipitation modeling to address the second phase precipitation in cold-worked (CW) 316 stainless steels (SS) under irradiation at 300-400 C. CD provides the…
We present a systematic benchmark of MACE potentials for iron-nickel alloys, focusing on structural, elastic, magnetic, and finite-temperature properties relevant to phase stability. The reference dataset comprises spin-polarized PBE…
The metal-hydride-based topochemical reduction process has produced novel thermodynamically unstable phases across various transition metal oxide series with unusual crystal structures and non-trivial ground states. Here, by such an oxygen…
The structures, point defects and impacts of fission products for U3Si (\b{eta}-U3Si and {\gamma}-U3Si) and USi2 ({\alpha}-USi2 and \b{eta}-USi2) are studied by first-principles calculations. The lattice parameters of U3Si and USi2 are…
It has long been suggested that shocks might play an important role in altering the form of the interstellar medium (ISM). Shocks enhance gas density and sufficiently dense regions may become self gravitating. Potential star forming clouds…
We use dynamic light scattering and computer simulations to study equilibrium dynamics and dynamic heterogeneity in concentrated suspensions of colloidal hard spheres. Our study covers an unprecedented density range and spans seven decades…
High entropy alloys (HEAs) are a new class of metals that exhibit unique mechanical performance. Among HEAs, additively manufactured eutectic high entropy alloys (AM-EHEAs) have recently emerged as candidate materials for use in extreme…
We investigate the response of a system of hard spheres to two classes of perturbations over a range of densities spanning the fluid, crystalline, and glassy regimes within a molecular dynamics framework. Firstly, we consider the relaxation…
In this work a representative nickel superalloy, Ni70W20Nb10, was investigated in the presence of chlorine to quantify its early-stage dissolution behavior. Surface structures were generated from a bulk configuration sampled in equilibrium…
Shell evolution is studied in the neutron-rich silicon isotopes 36,38,40 Si using neutron single-particle strengths deduced from one-neutron knockout reactions. Configurations involving neutron excita- tions across the N = 20 and N = 28…
We perform numerical experiments to investigate the influence of inelastic neutrino reactions with light nuclei on the standing accretion shock instability (SASI). The time evolution of shock waves is calculated with a simple light-bulb…
Layered chalcogenides including Bi2Te3, Sb2Te3, Bi-Sb-Te ternary alloys and heterostructures are known as great thermoelectric, topological insulators and recently highlighted as plasmonic building blocks beyond noble metals. Here, we…
Neutrino-driven convection plays a crucial role in the development of core-collapse supernova (CCSN) explosions. However, the complex mechanism that triggers the shock revival and the subsequent explosion has remained inscrutable for many…
Disorder-driven degradation phenomena, such as structural phase transformations and surface reconstructions, can significantly reduce the lifetime of Li-ion batteries, especially those with nickel-rich layered-oxide cathodes. We develop a…
Using molecular dynamics simulations we investigate the thermodynamic of particles interacting with a continuous and a discrete versions of a core-softened (CS) intermolecular potential composed by a repulsive shoulder. Dynamic and…
The cross section for coherent elastic neutrino-nucleus scattering (CE$\nu$NS) depends on the response of the target nucleus to the external current, in the Standard Model (SM) mediated by the exchange of a $Z$ boson. This is typically…
Hydrodynamical instabilities, such as the standing accretion-shock instability (SASI), play an essential role in the dynamics of core-collapse supernovae, with observable imprints in the neutrino and gravitational wave signals. Yet, the…
Among all closed-shell species observed in molecular clouds, molecules with C$_{3v}$ symmetry play a crucial role, as their rotational spectroscopy allows them to behave as a gas thermometer. In the interstellar medium, methyl cyanide…
Following a simulation approach of recent publications we explore the viability of the neutrino-heating explosion mechanism in dependence on the spatial dimension. Our results disagree with previous findings. While we also observe that…