Related papers: NCrystal : a library for thermal neutron transport
Interpretation of vibrational inelastic neutron scattering spectra of complex systems is frequently reliant on accompanying simulations from theoretical models. Ab-initio codes can routinely generate force constants, but additional steps…
We discuss the architecture and design principles that underpin the latest version of SKIRT, a state-of-the-art open source code for simulating continuum radiation transfer in dusty astrophysical systems, such as spiral galaxies and…
We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…
Aims. Numerical test-particle simulations are a reliable and frequently used tool to test analytical transport theories and to predict mean-free paths. The comparison between solutions of the diffusion equation and the particle flux is used…
One of the most computationally demanding aspects of the hydrodynamical modelling of Astrophysical phenomena is the transport of energy by radiation or relativistic particles. Physical processes involving energy transport are ubiquitous and…
The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either…
Hydrogen embrittlement in metals is strongly governed by hydrogen diffusion and trapping, yet predicting these effects in polycrystalline systems remains challenging. This work introduces a multiscale modeling framework that links atomistic…
High and low temperature relaxation of crystal steps are described in a unified picture, using a continuum model based on a modified expression of the step free energy. Results are in agreement with experiments and Monte Carlo simulations…
The experimental thermal neutron cross sections of the twenty proteinogenic amino acids have been measured over the incident-neutron energy range spanning from 1 meV to 10 keV and data have been interpreted using the multi-phonon expansion…
With the advances in materials and integration of electronics and thermoelectrics, the demand for novel crystalline materials with ultimate high/low thermal conductivity is increasing. However, search for optimal thermal materials is…
The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and…
Neutron transport along guides is governed by the Liouville theorem and the technology involved has advanced in recent decades. Computer simulations have proven to be useful tools in the design and conception of neutron guide systems in…
Although elastic scattering of nucleons may look like a simple process, it presents a long-lasting challenge for theory. Due to missing hard energy scale, the perturbative QCD can not be applied. Instead, many phenomenological/theoretical…
Neutron-rich matter at subnuclear densities may involve complex structures displaying a variety of shapes, such as spherical, slablike, and/or rodlike shapes. These phases of the {\it nuclear pasta} are expected to exist in the crust of…
The proposed work demonstrates the results of creating and investigating the mathematical model of the source of fast neutrons. The model carrier is a computer program developed in the C++ programming language in the Linux operating system…
Although the electromagnetic and muonic components of extensive air showers have been studied in great detail, no comprehensive simulation study of the neutron component is available. This is related to the complexity of neutron transport…
The study of granular crystals, metamaterials that consist of closely packed arrays of particles that interact elastically, is a vibrant area of research that combines ideas from disciplines such as materials science, nonlinear dynamics,…
The improvement of the number of extractable ultracold neutrons (UCNs) from converters based on solid deuterium (sD$_2$) crystals requires a good understanding of UCN transport and how the crystal's morphology influences its transparency to…
Single crystal inelastic neutron scattering data contain rich information about the structure and dynamics of a material. Yet the challenge of matching sophisticated theoretical models with large data volumes is compounded by computational…
TURTLE is a C library providing utilities allowing to navigate through a topography described by a Digital Elevation Model (DEM). The library has been primarily designed for the Monte Carlo transport of particles scattering over medium to…