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作者信息

Neves Paul M, White Jonathan S

机构信息

Massachusetts Institute of Technology, USA.

Paul Scherrer Institut Switzerland.

出版信息

J Appl Crystallogr. 2024 Nov 26;57(Pt 6):2030-2042. doi: 10.1107/S1600576724010379. eCollection 2024 Dec 1.

Abstract

In research on mesoscale structure and correlations, small-angle neutron scattering (SANS) is increasingly being employed to map fully three-dimensional distributions of scattered intensity at low momentum transfer. While traditionally SANS experiments and data analysis methods are designed to prioritize the determination of salient information in only one or two dimensions, the trend towards volumetric intensity mapping experiments calls for new software tools to assist with analyzing the resulting datasets. In this paper, we describe the development of a new software module, the (). adds numerous features to , a widely used SANS analysis program that was written in MATLAB and developed at the Institut Laue-Langevin, France. The module provides multiple methods of three-dimensional SANS data visualization and new abilities to perform 1D and 2D cuts in various momentum-space coordinate systems, including reciprocal lattice units relevant for single-crystal studies. also includes the ability to fit diffraction peaks to a fully three-dimensional ellipsoidal Gaussian function to extract peak parameters including peak intensity, location and width, as well as a built-in calculator for estimating the resolution-deconvolved 3D coherence lengths in a sample. thus represents a significant addition to which extends the utility and application of SANS. Valuable advantages are provided, in particular, for 'small-angle neutron diffraction' studies of mesoscale correlations in single crystals, such as those due to incommensurate magnetic spin textures like spirals and topological skyrmion lattices.

摘要

在中尺度结构与相关性研究中,小角中子散射(SANS)越来越多地被用于绘制低动量转移下散射强度的全三维分布。传统上,SANS实验和数据分析方法仅侧重于确定一两个维度上的显著信息,但体积强度映射实验的趋势需要新的软件工具来辅助分析所得数据集。在本文中,我们描述了一个新软件模块()的开发。该模块为在法国劳厄 - 朗之万研究所编写并基于MATLAB开发的广泛使用的SANS分析程序()增添了许多功能。该模块提供了多种三维SANS数据可视化方法,以及在各种动量空间坐标系中进行一维和二维切割的新功能,包括与单晶研究相关的倒易晶格单位。它还能够将衍射峰拟合到全三维椭球高斯函数,以提取包括峰强度、位置和宽度在内的峰参数,以及用于估计样品中分辨率解卷积后的三维相干长度的内置计算器。因此,该模块是对()的重大补充,扩展了SANS的实用性和应用范围。特别是对于单晶中尺度相关性的“小角中子衍射”研究,例如由于螺旋和拓扑斯格明子晶格等非公度磁自旋纹理引起的研究,提供了宝贵的优势。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6350/11611284/5ac3a4581a53/j-57-02030-fig9.jpg

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