Elaf A. Anber , Daniel L. Foley , James L. Hart , Howie Joress , Brian DeCost , Roger Doherty , Peter K. Liaw , Diana Farkas , Anatoly I. Frenkel , Mitra L. Taheri
{"title":"短程量级对含铝FCC高熵合金中析出相取向关系的影响","authors":"Elaf A. Anber , Daniel L. Foley , James L. Hart , Howie Joress , Brian DeCost , Roger Doherty , Peter K. Liaw , Diana Farkas , Anatoly I. Frenkel , Mitra L. Taheri","doi":"10.1016/j.intermet.2025.108832","DOIUrl":null,"url":null,"abstract":"<div><div>High entropy alloy (HEA) phase evolution is governed by the competing roles of high configurational entropy and enthalpy of mixing, including severe lattice distortion, and local, or short range, atomic order. While HEAs have seen unprecedented interest over the last decade, many promising applications have not been realized due to limitations in secondary phase, or precipitate, control. Through high resolution microscopy and spectroscopy coupled with molecular dynamics simulations, we examine the role of chemical complexity on the evolution of precipitates, and specifically on their orientation relationships with their host matrices. Microstructural, chemical, and local order measurements are coupled with atomistic simulations of the structure and energy of the Face Center Cubic (FCC)/Body Center Cubic (BCC)B2 interface, in various possible orientations, using model interatomic potentials. Our local order measurements at the nanometer scale revealed that Cr-(Co/Ni/Fe) bonding becomes less favorable after aging. This finding aligns with our microstructural observations, which show lower Cr and Al content in the FCC phase post-aging. We experimentally observed a non-typical orientation relationship between B2-BCC and FCC matrices was stabilized, which we attribute to this chemical complexity. Our atomistic simulations reveal the significant effect of chemical complexity and local ordering on interface energies. Critically, we connect the local chemical order with the formation of high energy interfaces that lead to unusual orientation relationships. The relationship between local order and the orientation relationships landscape of precipitates within a microstructure presents an opportunity for tuning alloy properties at the level of atomic bonding.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"184 ","pages":"Article 108832"},"PeriodicalIF":4.3000,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Influence of short-range order on precipitate orientation relationships in aluminum containing FCC high entropy alloys\",\"authors\":\"Elaf A. Anber , Daniel L. Foley , James L. Hart , Howie Joress , Brian DeCost , Roger Doherty , Peter K. Liaw , Diana Farkas , Anatoly I. Frenkel , Mitra L. Taheri\",\"doi\":\"10.1016/j.intermet.2025.108832\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>High entropy alloy (HEA) phase evolution is governed by the competing roles of high configurational entropy and enthalpy of mixing, including severe lattice distortion, and local, or short range, atomic order. While HEAs have seen unprecedented interest over the last decade, many promising applications have not been realized due to limitations in secondary phase, or precipitate, control. Through high resolution microscopy and spectroscopy coupled with molecular dynamics simulations, we examine the role of chemical complexity on the evolution of precipitates, and specifically on their orientation relationships with their host matrices. Microstructural, chemical, and local order measurements are coupled with atomistic simulations of the structure and energy of the Face Center Cubic (FCC)/Body Center Cubic (BCC)B2 interface, in various possible orientations, using model interatomic potentials. Our local order measurements at the nanometer scale revealed that Cr-(Co/Ni/Fe) bonding becomes less favorable after aging. This finding aligns with our microstructural observations, which show lower Cr and Al content in the FCC phase post-aging. We experimentally observed a non-typical orientation relationship between B2-BCC and FCC matrices was stabilized, which we attribute to this chemical complexity. Our atomistic simulations reveal the significant effect of chemical complexity and local ordering on interface energies. Critically, we connect the local chemical order with the formation of high energy interfaces that lead to unusual orientation relationships. The relationship between local order and the orientation relationships landscape of precipitates within a microstructure presents an opportunity for tuning alloy properties at the level of atomic bonding.</div></div>\",\"PeriodicalId\":331,\"journal\":{\"name\":\"Intermetallics\",\"volume\":\"184 \",\"pages\":\"Article 108832\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-05-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Intermetallics\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0966979525001979\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Intermetallics","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0966979525001979","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Influence of short-range order on precipitate orientation relationships in aluminum containing FCC high entropy alloys
High entropy alloy (HEA) phase evolution is governed by the competing roles of high configurational entropy and enthalpy of mixing, including severe lattice distortion, and local, or short range, atomic order. While HEAs have seen unprecedented interest over the last decade, many promising applications have not been realized due to limitations in secondary phase, or precipitate, control. Through high resolution microscopy and spectroscopy coupled with molecular dynamics simulations, we examine the role of chemical complexity on the evolution of precipitates, and specifically on their orientation relationships with their host matrices. Microstructural, chemical, and local order measurements are coupled with atomistic simulations of the structure and energy of the Face Center Cubic (FCC)/Body Center Cubic (BCC)B2 interface, in various possible orientations, using model interatomic potentials. Our local order measurements at the nanometer scale revealed that Cr-(Co/Ni/Fe) bonding becomes less favorable after aging. This finding aligns with our microstructural observations, which show lower Cr and Al content in the FCC phase post-aging. We experimentally observed a non-typical orientation relationship between B2-BCC and FCC matrices was stabilized, which we attribute to this chemical complexity. Our atomistic simulations reveal the significant effect of chemical complexity and local ordering on interface energies. Critically, we connect the local chemical order with the formation of high energy interfaces that lead to unusual orientation relationships. The relationship between local order and the orientation relationships landscape of precipitates within a microstructure presents an opportunity for tuning alloy properties at the level of atomic bonding.
期刊介绍:
This journal is a platform for publishing innovative research and overviews for advancing our understanding of the structure, property, and functionality of complex metallic alloys, including intermetallics, metallic glasses, and high entropy alloys.
The journal reports the science and engineering of metallic materials in the following aspects:
Theories and experiments which address the relationship between property and structure in all length scales.
Physical modeling and numerical simulations which provide a comprehensive understanding of experimental observations.
Stimulated methodologies to characterize the structure and chemistry of materials that correlate the properties.
Technological applications resulting from the understanding of property-structure relationship in materials.
Novel and cutting-edge results warranting rapid communication.
The journal also publishes special issues on selected topics and overviews by invitation only.