{"title":"Multi-scale computational study of high-temperature corrosion and the design of corrosion-resistant alloys","authors":"Terrence Wenga , Digby D. Macdonald , Wenchao Ma","doi":"10.1016/j.pmatsci.2024.101359","DOIUrl":null,"url":null,"abstract":"<div><p>Corrosion is a serious problem, which reduces the efficiency and lifespan of various technologies, such as thermal power plants, aviation, nuclear reactors, etc. It starts from the interactions of corrosive species with alloys to various subsequent processes, such as oxide-formation, growth, and delamination, void and crevices-formation, etc., which all have different lengths and time-spans. Resolving such a problem requires a complete understanding of these processes, necessitating multi-scale computational modeling (MSCM). Available literature focuses mainly on single aspects of corrosion, such as the adsorption of corrosive agents on alloy or cracking, which requires the application of single computational modeling (SCM). Applying SCM is inadequate for addressing and describing some essential corrosion processes as spatial and temporal scales increase, as well as designing corrosion-resistant alloys, which also requires MSCM to couple various properties along their hierarchical structures. Thus, this paper critically and comprehensively reviews the MSCM of high-temperature corrosion and its control. The structure–property relationships during alloy design were discussed. Also, challenges and hot spots for further research directions were identified. We foresee that, in the future, there will be wide applications of MSCM to uncover the hitherto unknown corrosion processes, and alloys will be designed from atomic/molecular structures. Hence, this review paper will provide several computational options for corrosion investigation and connecting alloy structures to properties during alloy designing.</p></div>","PeriodicalId":411,"journal":{"name":"Progress in Materials Science","volume":"148 ","pages":"Article 101359"},"PeriodicalIF":33.6000,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Progress in Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0079642524001282","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Corrosion is a serious problem, which reduces the efficiency and lifespan of various technologies, such as thermal power plants, aviation, nuclear reactors, etc. It starts from the interactions of corrosive species with alloys to various subsequent processes, such as oxide-formation, growth, and delamination, void and crevices-formation, etc., which all have different lengths and time-spans. Resolving such a problem requires a complete understanding of these processes, necessitating multi-scale computational modeling (MSCM). Available literature focuses mainly on single aspects of corrosion, such as the adsorption of corrosive agents on alloy or cracking, which requires the application of single computational modeling (SCM). Applying SCM is inadequate for addressing and describing some essential corrosion processes as spatial and temporal scales increase, as well as designing corrosion-resistant alloys, which also requires MSCM to couple various properties along their hierarchical structures. Thus, this paper critically and comprehensively reviews the MSCM of high-temperature corrosion and its control. The structure–property relationships during alloy design were discussed. Also, challenges and hot spots for further research directions were identified. We foresee that, in the future, there will be wide applications of MSCM to uncover the hitherto unknown corrosion processes, and alloys will be designed from atomic/molecular structures. Hence, this review paper will provide several computational options for corrosion investigation and connecting alloy structures to properties during alloy designing.
期刊介绍：
Progress in Materials Science is a journal that publishes authoritative and critical reviews of recent advances in the science of materials. The focus of the journal is on the fundamental aspects of materials science, particularly those concerning microstructure and nanostructure and their relationship to properties. Emphasis is also placed on the thermodynamics, kinetics, mechanisms, and modeling of processes within materials, as well as the understanding of material properties in engineering and other applications.
The journal welcomes reviews from authors who are active leaders in the field of materials science and have a strong scientific track record. Materials of interest include metallic, ceramic, polymeric, biological, medical, and composite materials in all forms.
Manuscripts submitted to Progress in Materials Science are generally longer than those found in other research journals. While the focus is on invited reviews, interested authors may submit a proposal for consideration. Non-invited manuscripts are required to be preceded by the submission of a proposal. Authors publishing in Progress in Materials Science have the option to publish their research via subscription or open access. Open access publication requires the author or research funder to meet a publication fee (APC).
Abstracting and indexing services for Progress in Materials Science include Current Contents, Science Citation Index Expanded, Materials Science Citation Index, Chemical Abstracts, Engineering Index, INSPEC, and Scopus.
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