Related papers: Parameter-free quantitative simulation of high dos…
We present a method to construct semi-numerical ``simulations'', which can efficiently generate realizations of halo distributions and ionization maps at high redshifts. Our procedure combines an excursion-set approach with first-order…
Synchrotron-based X-ray computed tomography is widely used for investigating inner structures of specimens at high spatial resolutions. However, potential beam damage to samples often limits the X-ray exposure during tomography experiments.…
We study the high-pressure melting behavior of titanium using laser-driven shock compression with in situ femtosecond x-ray diffraction and molecular-dynamics simulations based on a machine-learned interatomic potential. The MD simulations…
We present a technique for extracting Raman intensities from ab initio molecular dynamics (MD) simulations at high temperature. The method is applied to the highly anharmonic case of dense hydrogen up to 500 K for pressures ranging from 180…
Negative atomic hydrogen ion (H$^{-}$) densities were measured in a pulsed low-pressure E-mode inductively-coupled radio-frequency (rf) driven plasma in hydrogen by means of laser photodetachment and a Langmuir probe. This investigation…
In an expansion of a previous study [1], we apply inverse design methods to produce two-dimensional plasma metamaterial devices with realistic plasma elements which incorporate quartz envelopes, collisionality (loss), non-uniform density…
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…
Non-ideal MHD effects are thought to be a crucial component of the star-formation process. Numerically, several complications render the study of non-ideal MHD effects in 3D simulations extremely challenging and hinder our efforts of…
High performance sheet metals with a multi-phase microstructure suffer from deformation induced damage formation during forming in the constituent phases but importantly also where these intersect. To capture damage in terms of the physical…
This work presents a multiscale and multiphysics framework to investigate the radiation-induced damage in nano-crystalline materials. The framework combines two methodologies, including molecular dynamics simulations with electronic effects…
Crystal defects crucially influence the properties of crystalline materials and have been extensively studied. Even for the simplest type of defect - the point defect - however, basic properties such as their diffusive behavior, and their…
Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions pose significant challenges for accurately modeling arbitrary…
The nuclear symmetry energy at densities above saturation density ($\rho_0\sim 0.16 fm^{-3}$) is poorly constrained theoretically and very few relevant experimental data exist. Its study is possible through Heavy Ion Collisions (HIC) at…
The effects of neutron irradiation on materials are often interpreted in terms of atomic recoils, initiated by neutron impacts and producing crystal lattice defects. In addition, there is a remarkable two-step process, strongly pronounced…
Ratios of hadronic abundances are analyzed for pp and nucleus-nucleus collisions at sqrt(s)=20 GeV using the microscopic transport model UrQMD. Secondary interactions significantly change the primordial hadronic cocktail of the system. A…
The theory of QED corrections to hyperfine structure in light hydrogenic atoms and ions has recently advanced to the point that the uncertainty of these corrections is much smaller than 1 part per million (ppm), while the experiments are…
First simulations of deuterium shattered pellet injection (SPI) into an ASDEX Upgrade H-Mode plasma with the JOREK MHD code are presented. Resistivity is increased by one order of magnitude in most simulations to reduce computational costs…
The formation of deuterons in heavy-ion collisions at relativistic energies is investigated by employing two recently advanced models -- the Minimum Spanning Tree (MST) method and the coalescence model by embedding them in the PHQMD and the…
Isolated hydrogen, deuterium, and muonium in diamond have been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 100 to…
We present equation of state data of shock compressed hydrogen and deuterium. These have been calculated in the physical picture by using {\it ab initio} molecular dynamics simulations based on finite temperature density functional theory…