A comparison of different Fourier transform procedures for analysis of diffraction data from noble gas fluids

Author:

Proctor J. E.1ORCID,Pruteanu C. G.2ORCID,Moss B.1ORCID,Kuzovnikov M. A.2ORCID,Ackland G. J.2ORCID,Monk C. W.1ORCID,Anzellini S.3ORCID

Affiliation:

1. Materials and Physics Research Group, School of Science, Engineering and Environment, University of Salford 1 , Manchester M5 4WT, United Kingdom

2. SUPA, School of Physics & Astronomy and Centre for Science at Extreme Conditions, The University of Edinburgh 2 , Edinburgh EH9 3FD, United Kingdom

3. Diamond Light Source Ltd., Harwell Science and Innovation Campus 3 , Diamond House, Didcot OX11 0DE, United Kingdom

Abstract

A comparison is made between the three principal methods for the 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 Soper–Barney modification) are used to analyze four different sets of diffraction data from noble gas fluids. The results are compared to the findings of a full-scale real-space structure determination, namely, Empirical Potential Structure Refinement. Conclusions are drawn on the relative merits of the three Fourier transform methods, what information can be reliably obtained using each method, and which method is most suitable for the analysis of different kinds of diffraction data. The mathematical validity of the Lorch method is critically analyzed.

Funder

European Research Council

Publisher

AIP Publishing

Subject

General Physics and Astronomy

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3