Luis Granadillo , Joshua Snyder , Zhiyong Xia , Ian McCue
{"title":"合金掺杂纳米多孔金属的粗化动力学","authors":"Luis Granadillo , Joshua Snyder , Zhiyong Xia , Ian McCue","doi":"10.1016/j.scriptamat.2024.116373","DOIUrl":null,"url":null,"abstract":"<div><div>Due to their high surface-to-volume ratios, nanoporous metals are being explored for a range of catalytic and structural applications. However, these materials have thermodynamically unstable morphologies and degrade via coarsening at elevated temperatures. One potential mitigation strategy is to introduce atomic species that inhibit diffusional transport, but there is limited mechanistic understanding. To begin addressing this knowledge gap, the impact of a slow-diffusing dopant on the coarsening behavior of a nanoporous metal is studied using kinetic Monte Carlo simulations. The simulations were analyzed using reaction models and isoconversional analyses to extract constitutive coarsening laws, which confirm a coarsening exponent associated with classical surface diffusion. In addition, a rate equation is derived for the role of alloying dopants. It is found that only a few atomic percent is needed to stymie coarsening over experimentally relevant timescales, which has broad implications for the future design and tailoring of these materials.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"255 ","pages":"Article 116373"},"PeriodicalIF":5.3000,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Coarsening kinetics of alloy-doped nanoporous metals\",\"authors\":\"Luis Granadillo , Joshua Snyder , Zhiyong Xia , Ian McCue\",\"doi\":\"10.1016/j.scriptamat.2024.116373\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Due to their high surface-to-volume ratios, nanoporous metals are being explored for a range of catalytic and structural applications. However, these materials have thermodynamically unstable morphologies and degrade via coarsening at elevated temperatures. One potential mitigation strategy is to introduce atomic species that inhibit diffusional transport, but there is limited mechanistic understanding. To begin addressing this knowledge gap, the impact of a slow-diffusing dopant on the coarsening behavior of a nanoporous metal is studied using kinetic Monte Carlo simulations. The simulations were analyzed using reaction models and isoconversional analyses to extract constitutive coarsening laws, which confirm a coarsening exponent associated with classical surface diffusion. In addition, a rate equation is derived for the role of alloying dopants. It is found that only a few atomic percent is needed to stymie coarsening over experimentally relevant timescales, which has broad implications for the future design and tailoring of these materials.</div></div>\",\"PeriodicalId\":423,\"journal\":{\"name\":\"Scripta Materialia\",\"volume\":\"255 \",\"pages\":\"Article 116373\"},\"PeriodicalIF\":5.3000,\"publicationDate\":\"2024-09-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Scripta Materialia\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1359646224004081\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scripta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1359646224004081","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Coarsening kinetics of alloy-doped nanoporous metals
Due to their high surface-to-volume ratios, nanoporous metals are being explored for a range of catalytic and structural applications. However, these materials have thermodynamically unstable morphologies and degrade via coarsening at elevated temperatures. One potential mitigation strategy is to introduce atomic species that inhibit diffusional transport, but there is limited mechanistic understanding. To begin addressing this knowledge gap, the impact of a slow-diffusing dopant on the coarsening behavior of a nanoporous metal is studied using kinetic Monte Carlo simulations. The simulations were analyzed using reaction models and isoconversional analyses to extract constitutive coarsening laws, which confirm a coarsening exponent associated with classical surface diffusion. In addition, a rate equation is derived for the role of alloying dopants. It is found that only a few atomic percent is needed to stymie coarsening over experimentally relevant timescales, which has broad implications for the future design and tailoring of these materials.
期刊介绍:
Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.