Vitess 3.8: a modernized framework for Monte Carlo neutron tracing simulations.

IF 2.8 3区材料科学 Q1 Biochemistry, Genetics and Molecular Biology

Journal of Applied Crystallography Pub Date : 2026-03-28 eCollection Date: 2026-04-01 DOI:10.1107/S1600576726001093

José Ignacio Robledo, Nicoló Violini, Fabian Beule, Jorg Voigt, Paul Zakalek, Klaus Lieutenant

引用次数: 0

Abstract

VITESS is a modular Monte Carlo simulation package for modeling and optimizing neutron scattering instruments through ray tracing of neutrons. The latest release, VITESS 3.8, introduces major advances in functionality and software infrastructure. They include new source modules for integrating external moderator simulations and artificial-intelligence-based flux modeling, as well as prism for beam deflection and crystalline material simulations via NCrystal. Existing modules have been extended to support spin-dependent scattering, advanced monochromator motions and improved polarization handling. The update also includes a Git-based continuous integration system ensuring reproducibility.

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Vitess 3.8：用于蒙特卡罗中子追踪模拟的现代化框架。

VITESS是一个模块化的蒙特卡罗模拟包，用于通过中子的射线追踪来建模和优化中子散射仪器。最新版本VITESS 3.8在功能和软件基础设施方面进行了重大改进。它们包括用于集成外部调节剂模拟和基于人工智能的通量建模的新源模块，以及用于光束偏转和通过NCrystal进行晶体材料模拟的棱镜。现有的模块已经扩展到支持自旋依赖的散射，先进的单色仪运动和改进的极化处理。该更新还包括一个基于git的持续集成系统，以确保再现性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Applied Crystallography 化学-晶体学

CiteScore

10.00

自引率

3.30%

发文量

178

审稿时长

4.7 months

期刊介绍： Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.