On the analysis of two-time correlation functions: equilibrium versus non-equilibrium systems.

IF 6.1 3区 材料科学 Q1 Biochemistry, Genetics and Molecular Biology Journal of Applied Crystallography Pub Date : 2024-07-04 eCollection Date: 2024-08-01 DOI:10.1107/S1600576724004618
Anastasia Ragulskaya, Vladimir Starostin, Fajun Zhang, Christian Gutt, Frank Schreiber
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Abstract

X-ray photon correlation spectroscopy (XPCS) is a powerful tool for the investigation of dynamics covering a broad range of timescales and length scales. The two-time correlation function (TTC) is commonly used to track non-equilibrium dynamical evolution in XPCS measurements, with subsequent extraction of one-time correlations. While the theoretical foundation for the quantitative analysis of TTCs is primarily established for equilibrium systems, where key parameters such as the diffusion coefficient remain constant, non-equilibrium systems pose a unique challenge. In such systems, different projections ('cuts') of the TTC may lead to divergent results if the underlying fundamental parameters themselves are subject to temporal variations. This article explores widely used approaches for TTC calculations and common methods for extracting relevant information from correlation functions, particularly in the light of comparing dynamics in equilibrium and non-equilibrium systems.

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关于双时相关函数的分析:平衡与非平衡系统。
X 射线光子相关光谱(XPCS)是研究涵盖广泛时间尺度和长度尺度的动力学的强大工具。在 XPCS 测量中,双时相关函数(TTC)通常用于跟踪非平衡动力学演化,并随后提取单时相关性。虽然定量分析 TTC 的理论基础主要是针对平衡系统建立的,在平衡系统中,扩散系数等关键参数保持不变,但非平衡系统带来了独特的挑战。在这类系统中,如果基本参数本身会发生时间变化,那么对 TTC 的不同预测("切割")可能会导致不同的结果。本文探讨了广泛使用的 TTC 计算方法,以及从相关函数中提取相关信息的常用方法,特别是在比较平衡和非平衡系统的动力学时。
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来源期刊
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.
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