Related papers: Solute-point defect interactions, coupled diffusio…
Molecular dynamics (MD) simulations were performed to investigate the influence of mechanical strain on irradiation-induced defect and dislocation evolution in nickel single crystals subjected to cumulative overlapping 5 keV collision…
The practical damage of silicon bipolar devices subjected to mixed ionization and displacement irradiations is usually evaluated by the sum of separated ionization and displacement damages. However, recent experiments show clear difference…
The diffusion of intrinsic defects in 3C-SiC is studied using an ab initio method based on density functional theory. The vacancies are shown to migrate on their own sublattice. The carbon split-interstitials and the two relevant silicon…
This study explores the impact of temperature on defect dynamics in tungsten, emphasizing its application in nuclear fusion reactors as Plasma Facing Components (PFCs). Through atomistic simulations, the research elucidates the intricate…
Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achieve…
An extensive diffusion analysis is presented for binary Ni-X and ternary Ni-Al-X (X = Cr, Mo, Ta, W, Re) systems, which play a crucial role in microstructural evolution and phase stability in Ni-Al-based superalloys. Specifically, we…
Experimental results show significant difference between neutrons and ions irradiation of alloys, while the underlying reasons remain unclear. Herein, we performed object kinetic Monte Carlo (OKMC) simulations on void evolution in Fe-Cr…
Using ab initio calculations and special quasirandom structures, we have characterized the distribution of defect formation energy and migration barrier in Ni-based solid-solution alloys: Ni_{0.5}Co_{0.5}, Ni_{0.5}Fe_{0.5}, Ni_{0.8}Fe_{0.2}…
The inner regions of protoplanetary disks are host to the sublimation of dust grains, a process traditionally modeled using equilibrium thermodynamics. We demonstrate through ab-initio density functional theory (DFT) and kinetic Monte Carlo…
We compute rates and pathways for nucleation in a sheared two dimensional Ising model with Metropolis spin flip dynamics, using Forward Flux Sampling (FFS). We find a peak in the nucleation rate at intermediate shear rate. We analyse the…
This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simulations revealed that both boron and carbon dissociated from…
We investigate charged-current neutrino-nucleus deep inelastic scattering with particular interests in relationship of short range correlation (SRC) and EMC effect. The structure functions $F^A_2(x,Q^2)$, $x F^A_3(x,Q^2)$ and ratios of…
One of the main problems faced by communication systems is the presence of skip-zones in the targeted areas. With the deployment of the fifth-generation mobile network, solutions are proposed to solve the signal loss due to obstruction by…
An extensive set of first-principles density functional theory calculations have been performed to study the behaviour of He, C and N solutes in austenite, dilute Fe-Cr-Ni austenitic alloys and Ni in order to investigate their influence on…
Solute segregation at low-angle grain boundaries (LAGBs) critically affects the microstructure and mechanical properties of magnesium (Mg) alloys. In modern alloys containing multiple substitutional elements, understanding solute-solute…
This paper presents a simple formalism for calculating X-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) that has as input orbital-resolved density of states from a single-particle or many-body \textit{ab initio}…
We compute cross sections for incoherent diffractive J/Psi production in lepton-nucleus deep inelastic scattering. The cross section is proportional to A in the dilute limit and to A^(1/3) in the black disc limit, with a large nuclear…
We present a study on the prospects of observing carbon, sulfur, and other lower abundance elements (namely Al, Ca, Ti and Ni) present in the interstellar medium using future X-ray instruments. We focus in particular on the detection and…
The resonant inelastic x-ray scattering (RIXS) was measured in an insulating SrCuO$_{2}$ with changing the incident photon energy ($h\nu$) near the Cu $1s$ absorption edge (K-edge). Complex structures and their dependences on the momentum…
The main purpose of this paper is to obtain analytical solutions for radiative transfer equations related to the vertical structure of accretion discs with finite optical depth. In the non-gray atmosphere, we employ the optical-depth…