Related papers: Parameter-free quantitative simulation of high dos…
We have constructed three-dimensional models for the equilibrium abundance of molecular hydrogen within diffuse interstellar clouds of arbitrary geometry that are illuminated by ultraviolet radiation. The position-dependent photo-…
Understanding and accurately predicting hydrogen diffusion in materials is challenging due to the complex interactions between hydrogen defects and the crystal lattice. These interactions span large length and time scales, making them…
We present results from three-dimensional hydrodynamic simulations of the high redshift collapse of pregalactic clouds including feedback effects from a soft H2 photodissociating UV radiation field. The simulations use an Eulerian adaptive…
Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic…
Ab initio simulations of dislocations are essential to build quantitative models of material strength, but the required system sizes are often at or beyond the limit of existing methods. Many important structures are thus missing in the…
Interstellar matter is known to be strongly irradiated by radiation and several types of cosmic ray particles. Simulated interstellar matter, such as forsterite $\rm Mg_{2}SiO_{4}$, enstatite $\rm MgSiO_{3}$ and magnesite $\rm MgCO_{3}$ has…
The economical lifetime of the divertor is a key concern for realizing nuclear fusion reactors that may solve the world's energy problem. A main risk is thermo-mechanical failure of the plasma-facing tungsten monoblocks, as a consequence of…
The 3D microstructure of porous media, such as electrodes in lithium-ion batteries or fiber-based materials, significantly impacts the resulting macroscopic properties, including effective diffusivity or permeability. Consequently,…
Sintered samples of MgB2 were irradiated in a fission reactor. Defects in the bulk microstructure are produced during this process mainly by the 10B(n,a)7Li reaction while collisions of fast neutrons with the lattice atoms induce much less…
The formation and subsequent growth of structural defects in an irradiated material can strongly influence the material's performance in technological and industrial applications. Predicting how the growth of defects affects material…
The sensitivity of heterogeneous energetic (HE) materials (propellants, explosives, and pyrotechnics) is critically dependent on their microstructure. Initiation of chemical reactions occurs at hot spots due to energy localization at sites…
We study the identified particle ratios produced at mid-rapidity in heavy ion collisions, along with their correlations with the collision energy. We employ our earlier proposed Unified Statistical Thermal Freeze-out Model (USTFM), which…
The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes…
Radiation damage in high-temperature cuprate superconductors represents one of the main technological challenges for their deployment in harsh environments, such as fusion reactors and accelerator facilities. Their complex crystal structure…
Proton radiography is a useful diagnostic of high energy density (HED) plasmas under active theoretical and experimental development. In this paper we describe a new simulation tool that interacts realistic laser-driven point-like proton…
Stable or metastable crystal structures of assembled atoms can be predicted by finding the global or local minima of the energy surface within a broad space of atomic configurations. Generally, this requires repeated first-principles energy…
We simulate the central reactions of nearly symmetric, and asymmetric systems, for the energies at which the maximum production of IMFs occurs (E$_{c.m.}^{peak}$).This study is carried out by using hard EOS along with cugnon cross section…
We present a practical algorithm for partially relaxing multiwell energy densities such as pertain to materials undergoing martensitic phase transitions. The algorithm is based on sequential lamination, but the evolution of the…
Considerable information about the early-stage dynamics of heavy-ion collisions is encoded in the rapidity dependence of measurements. To leverage the large amount of experimental data, we perform a systematic analysis using…
Dynamical models based on relativistic fluid dynamics provide a powerful tool to extract the properties of the strongly-coupled quark-gluon plasma (QGP) produced by ultrarelativistic nuclear collisions. The largest source of uncertainty in…