Xinpeng Zhao, Haiyou Huang, Yanjing Su, Lijie Qiao, Yu Yan
{"title":"通过实验和模拟相结合的研究探索高耐蚀难熔高熵合金","authors":"Xinpeng Zhao, Haiyou Huang, Yanjing Su, Lijie Qiao, Yu Yan","doi":"10.1038/s41529-024-00495-1","DOIUrl":null,"url":null,"abstract":"Refractory high-entropy alloys (HEAs) have attracted considerable attention due to their stable phase structure and excellent high-temperature properties. In this work, we performed first-principles calculations, coupled with experiments, to explore HEAs with high corrosion resistance. The results revealed that TiNbTa-based HEAs exhibited a lower tendency for corrosion. However, the appearance of local chemical fluctuations (LCFs) increased the corrosion tendency of TiNbTa-based HEAs. Comprehensive SHapley Additive exPlanations analyses uncovered that in a sample with configurational LCFs, the atomic order near the surface was altered. Therefore, corrosion behavior was affected. Based on experiments, the annealed samples exhibited typical chemical segregation and declined corrosion resistance.","PeriodicalId":19270,"journal":{"name":"npj Materials Degradation","volume":null,"pages":null},"PeriodicalIF":6.6000,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41529-024-00495-1.pdf","citationCount":"0","resultStr":"{\"title\":\"Exploring high corrosion-resistant refractory high-entropy alloy via a combined experimental and simulation study\",\"authors\":\"Xinpeng Zhao, Haiyou Huang, Yanjing Su, Lijie Qiao, Yu Yan\",\"doi\":\"10.1038/s41529-024-00495-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Refractory high-entropy alloys (HEAs) have attracted considerable attention due to their stable phase structure and excellent high-temperature properties. In this work, we performed first-principles calculations, coupled with experiments, to explore HEAs with high corrosion resistance. The results revealed that TiNbTa-based HEAs exhibited a lower tendency for corrosion. However, the appearance of local chemical fluctuations (LCFs) increased the corrosion tendency of TiNbTa-based HEAs. Comprehensive SHapley Additive exPlanations analyses uncovered that in a sample with configurational LCFs, the atomic order near the surface was altered. Therefore, corrosion behavior was affected. Based on experiments, the annealed samples exhibited typical chemical segregation and declined corrosion resistance.\",\"PeriodicalId\":19270,\"journal\":{\"name\":\"npj Materials Degradation\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":6.6000,\"publicationDate\":\"2024-07-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.nature.com/articles/s41529-024-00495-1.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"npj Materials Degradation\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.nature.com/articles/s41529-024-00495-1\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"npj Materials Degradation","FirstCategoryId":"88","ListUrlMain":"https://www.nature.com/articles/s41529-024-00495-1","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Exploring high corrosion-resistant refractory high-entropy alloy via a combined experimental and simulation study
Refractory high-entropy alloys (HEAs) have attracted considerable attention due to their stable phase structure and excellent high-temperature properties. In this work, we performed first-principles calculations, coupled with experiments, to explore HEAs with high corrosion resistance. The results revealed that TiNbTa-based HEAs exhibited a lower tendency for corrosion. However, the appearance of local chemical fluctuations (LCFs) increased the corrosion tendency of TiNbTa-based HEAs. Comprehensive SHapley Additive exPlanations analyses uncovered that in a sample with configurational LCFs, the atomic order near the surface was altered. Therefore, corrosion behavior was affected. Based on experiments, the annealed samples exhibited typical chemical segregation and declined corrosion resistance.
期刊介绍：
npj Materials Degradation considers basic and applied research that explores all aspects of the degradation of metallic and non-metallic materials. The journal broadly defines ‘materials degradation’ as a reduction in the ability of a material to perform its task in-service as a result of environmental exposure.
The journal covers a broad range of topics including but not limited to:
-Degradation of metals, glasses, minerals, polymers, ceramics, cements and composites in natural and engineered environments, as a result of various stimuli
-Computational and experimental studies of degradation mechanisms and kinetics
-Characterization of degradation by traditional and emerging techniques
-New approaches and technologies for enhancing resistance to degradation
-Inspection and monitoring techniques for materials in-service, such as sensing technologies
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
