{"title":"New Method to Recover Activation Energy: Application to Copper Oxidation","authors":"Dominique Barchiesi, Thomas Grosges","doi":"10.3390/met14091066","DOIUrl":null,"url":null,"abstract":"The calculation of the activation energy helps to understand and to identify the underlying phenomenon of oxidation. We propose a new method without any a priori hypothesis on the oxidation law, to retrieve the activation energy of partially and totally oxidized samples subject to successive annealing. The method handles the uncertainties on the measurement of metal and oxide thicknesses, at the beginning and at the end of the annealing process. The possible change in oxidation law during annealing is included in the model. By using an adapted Particle Swarm Optimization method to solve the inverse problem, we also calculate the time of final oxidation during the last annealing. We apply the method to successive annealings of three samples with initial nanometric layers of copper, at ambient pressure, in the open air. One, two and three successive laws are recovered from experimental data. We found activation energy values about 105–108 kJ mol−1 at the beginning of the oxidation, 76–87 kJ mol−1 at the second step, and finally 47–59 kJ mol−1 in a third step. We also show that the time evolution of copper and oxide thicknesses can also be retrieved with their uncertainties.","PeriodicalId":18461,"journal":{"name":"Metals","volume":"18 1","pages":""},"PeriodicalIF":2.6000,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Metals","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.3390/met14091066","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The calculation of the activation energy helps to understand and to identify the underlying phenomenon of oxidation. We propose a new method without any a priori hypothesis on the oxidation law, to retrieve the activation energy of partially and totally oxidized samples subject to successive annealing. The method handles the uncertainties on the measurement of metal and oxide thicknesses, at the beginning and at the end of the annealing process. The possible change in oxidation law during annealing is included in the model. By using an adapted Particle Swarm Optimization method to solve the inverse problem, we also calculate the time of final oxidation during the last annealing. We apply the method to successive annealings of three samples with initial nanometric layers of copper, at ambient pressure, in the open air. One, two and three successive laws are recovered from experimental data. We found activation energy values about 105–108 kJ mol−1 at the beginning of the oxidation, 76–87 kJ mol−1 at the second step, and finally 47–59 kJ mol−1 in a third step. We also show that the time evolution of copper and oxide thicknesses can also be retrieved with their uncertainties.
期刊介绍:
Metals (ISSN 2075-4701) is an open access journal of related scientific research and technology development. It publishes reviews, regular research papers (articles) and short communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. Metals provides a forum for publishing papers which advance the in-depth understanding of the relationship between the structure, the properties or the functions of all kinds of metals.