Robert Kahlenberg , Roman Schuster , Nicolás García Arango , Georg Falkinger , Andreas Stark , Benjamin Milkereit , Ernst Kozeschnik
{"title":"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","authors":"Robert Kahlenberg , Roman Schuster , Nicolás García Arango , Georg Falkinger , Andreas Stark , Benjamin Milkereit , Ernst Kozeschnik","doi":"10.1016/j.tca.2024.179848","DOIUrl":null,"url":null,"abstract":"<div><p>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-Mg<sub>2</sub>Si. 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-Mg<sub>2</sub>Si 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 <span><math><msubsup><mi>c</mi><mrow><mi>p</mi></mrow><mtext>ex</mtext></msubsup></math></span> 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.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0040603124001874/pdfft?md5=810ec089b15f73dde5b90b92acdff42f&pid=1-s2.0-S0040603124001874-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Revisiting high-energy X-ray diffraction and differential scanning calorimetry data of EN AW-6082 with mean field simulations\",\"authors\":\"Robert Kahlenberg , Roman Schuster , Nicolás García Arango , Georg Falkinger , Andreas Stark , Benjamin Milkereit , Ernst Kozeschnik\",\"doi\":\"10.1016/j.tca.2024.179848\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>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-Mg<sub>2</sub>Si. 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-Mg<sub>2</sub>Si 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 <span><math><msubsup><mi>c</mi><mrow><mi>p</mi></mrow><mtext>ex</mtext></msubsup></math></span> 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.</p></div>\",\"PeriodicalId\":23058,\"journal\":{\"name\":\"Thermochimica Acta\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-08-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0040603124001874/pdfft?md5=810ec089b15f73dde5b90b92acdff42f&pid=1-s2.0-S0040603124001874-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Thermochimica Acta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0040603124001874\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Thermochimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0040603124001874","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Revisiting high-energy X-ray diffraction and differential scanning calorimetry data of EN AW-6082 with mean field simulations
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 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.
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