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Exascale computing enables high-fidelity simulations of chemically reactive flows in practical geometries and conditions, and paves the way for valuable insights that can optimize combustion processes, ultimately reducing emissions and…
Modern applications of atomic physics, including the determination of frequency standards, and the analysis of astrophysical spectra, require prediction of atomic properties with exquisite accuracy. For complex atomic systems,…
We analyze the prospect of measuring the neutron form factor of a nucleus through the detection of neutrino-nucleus coherent elastic scattering. We predict numbers of events in a liquid noble nuclear recoil detector at a stopped pion…
A new experiment to search for the permanent electric dipole moment of the neutron is being developed for installation at the Spallation Neutron Source at Oak Ridge National Laboratory. This experiment will be performed in liquid helium at…
When modeling astronomical objects throughout the universe, it is important to correctly treat the limitations of the data, for instance finite resolution and sensitivity. In order to simulate these effects, and to make radiative transfer…
Ultra-low-background experiments address some of the most important open questions in particle physics, cosmology and astrophysics: the nature of dark matter, whether the neutrino is its own antiparticle, and does the proton decay. These…
t is a known fact that near field diffraction or Fresnel diffraction calculations are difficult to perform exactly. It is in general necessary to make some approximations in order to obtain a more suitable form. In this work, a numerical…
The diffusion of atoms and radicals on interstellar dust grains is a fundamental ingredient for predicting accurate molecular abundances in astronomical environments. Quantitative values of diffusivity and diffusion barriers usually rely…
The Brazilian Multipurpose Reactor (RMB) is a fundamental project that aims to turn Brazil into a self-sufficient country in the production of radioisotopes and radiopharmaceuticals to supply the Unified Health System (SUS) as much as the…
The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored - is an important unsolved problem for disordered materials. Such modeling should proceed by using our full…
This article illustrates the development of a software named GoldEnvSim for simulation of the dispersion of radionuclides in the atmosphere. The software is written in JavaFX programming language to couple the Weather Research and…
Magnetron sputtering is a widely used physical vapor deposition technique. Reactive sputtering is used for the deposition of, e.g, oxides, nitrides and carbides. In fundamental research, versatility is essential when designing or upgrading…
This paper explores the development and testing of a simple absorption correction model for processing x-ray powder diffraction data from Debye-Scherrer geometry laboratory x-ray experiments. This may be used as a pre-processing step before…
The present paper reports on the recent activity of the data analysis software development for total-reflection high-energy positron diffraction (TRHEPD), a novel experimental technique for surface structure determination. Experiments using…
PDFgetX3 is a new software application for converting X-ray powder diffraction data to atomic pair distribution function (PDF). PDFgetX3 has been designed for ease of use, speed and automated operation. The software can readily process…
We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…
The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory, Tennessee, provides an intense flux of neutrinos in the few tens-of-MeV range, with a sharply-pulsed timing structure that is beneficial for background rejection. In this…
An algorithm is developed for structure identification of amorphous carbonaceous nanomaterials with a joint x-ray and neutron diffraction data analysis, using the data on the chemical composition of the sample from other diagnostics. The…
A comparison is made between the three principal methods for analysis of neutron and X-ray diffraction data from noble gas fluids by direct Fourier transform. All three methods (standard Fourier transform, Lorch modification and…
Real-time scattering calculations on a Noisy Intermediate Scale Quantum (NISQ) quantum computer are disrupted by errors that accumulate throughout the circuits. To improve the accuracy of such physics simulations, one can supplement the…