Revisiting high-energy X-ray diffraction and differential scanning calorimetry data of EN AW-6082 with mean field simulations

IF 3.1 2区 化学 Q2 CHEMISTRY, ANALYTICAL Thermochimica Acta Pub Date : 2024-08-08 DOI:10.1016/j.tca.2024.179848
Robert Kahlenberg , Roman Schuster , Nicolás García Arango , Georg Falkinger , Andreas Stark , Benjamin Milkereit , Ernst Kozeschnik
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Abstract

The present work re-evaluates previously published in-situ high-energy x-ray diffraction (HEXRD) and differential scanning calorimetry (DSC) data on EN AW-6082, which were used to study the precipitation kinetics of stable β-Mg2Si. Here, we address hitherto unattended information in the diffraction patterns. The revised analysis considers metastable precipitates and thermodynamically stable Fe-containing phases in addition to stable β-Mg2Si investigated in the previous studies. Furthermore, we utilize mean-field simulations to convert the evolution of individual phases obtained from HEXRD data into an equivalent excess specific heat cpex signal. This methodology allows us to partly separate cooling and heating DSC data into the contributions of individual phases and make a quantitative comparison between results from HEXRD and DSC. This significantly improves our current understanding of DSC data and demonstrates, for instance, the difference in complexity between interpreting cooling and heating experiments in aluminum alloys.

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利用平均场模拟重新审视 EN AW-6082 的高能 X 射线衍射和差示扫描量热数据
本研究重新评估了之前发表的有关 EN AW-6082 的原位高能 X 射线衍射 (HEXRD) 和差示扫描量热 (DSC) 数据,这些数据用于研究稳定 β-Mg2Si 的沉淀动力学。在此,我们讨论了衍射图样中迄今为止尚未关注的信息。修订后的分析除了考虑先前研究中的稳定 β-Mg2Si 外,还考虑了可析出物和热力学稳定的含铁相。此外,我们还利用均值场模拟,将从 HEXRD 数据中获得的单个相的演变过程转换为等效的过量比热 cpex 信号。通过这种方法,我们可以将冷却和加热 DSC 数据部分分离为单个相的贡献,并对 HEXRD 和 DSC 的结果进行定量比较。这极大地提高了我们目前对 DSC 数据的理解,并证明了铝合金冷却和加热实验的复杂性差异。
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来源期刊
Thermochimica Acta
Thermochimica Acta 化学-分析化学
CiteScore
6.50
自引率
8.60%
发文量
210
审稿时长
40 days
期刊介绍: Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application. The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta. The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas: - New and improved instrumentation and methods - Thermal properties and behavior of materials - Kinetics of thermally stimulated processes
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