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Christopher A. Schuh. Kalidindi, Arvind R.(Arvind Rama) Massachusetts Institute of Technology. Department of Materials Science and Engineering. Massachusetts Institute of Technology. Department of Materials Science and Engineering 2019-02-05T15:57:55Z 2019-02-05T15:57:55Z 2018 2018 http://hdl.handle.net/1721.1/120208 1082845606 This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections. Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, 2018 Cataloged from PDF version of thesis. Includes bibliographical references (pages 106-115). Nanocrystalline materials have a unique set of properties due to their nanometer-scale grain size. To harness these properties, grain growth in these materials needs to be suppressed, particularly in order to process bulk nanocrystalline components and to use them reliably. Alloying the material with the right elements has the potential to produce remarkably stable nanocrystalline states, particularly if the nanocrystalline state is thermodynamically stable against grain growth. This thesis builds upon previous models for selecting alloy combinations that lead to thermodynamic stability against grain growth, by developing frameworks that extend to negative enthalpy of mixing systems and ordered grain boundary complexions. These models are used to develop a generalized stability criterion based on bulk thermodynamic parameters, which can be used to select alloy systems that are formally stable against grain growth. A robust statistical mechanics framework is developed for reliable thermodynamic observations using Monte Carlo simulations to produce free energy diagrams and phase diagrams for stable nanocrystalline alloys. by Arvind R. Kalidindi. Ph.D. Ph.D. Massachusetts Institute of Technology, Department of Materials Science and Engineering 115 pages eng Massachusetts Institute of Technology MIT theses are protected by copyright. They may be viewed, downloaded, or printed from this source but further reproduction or distribution in any format is prohibited without written permission. http://dspace.mit.edu/handle/1721.1/7582 Materials Science and Engineering. An alloy selection and processing framework for nanocrystalline materials Thesis application/pdf 2019-09-11T21:55:27Z Publication unknown unknown <Publication xmlns="https://www.openaire.eu/cerif-profile/1.1/" id="5cc11912-05e0-4cb8-a6ba-c65f2aa20b27"> <Type xmlns="https://www.openaire.eu/cerif-profile/vocab/COAR_Publication_Types">http://purl.org/coar/resource_type/c_1843</Type> <Language>eng</Language> <Title>An alloy selection and processing framework for nanocrystalline materials</Title> <PublishedIn> <Publication> </Publication> </PublishedIn> <PublicationDate>2018</PublicationDate> <Authors> <Author> <DisplayName>Kalidindi, Arvind R.(Arvind Rama)</DisplayName> <Affiliation> <OrgUnit> </OrgUnit> </Affiliation> </Author> </Authors> <Editors> </Editors> <Publishers> <Publisher> <DisplayName>Massachusetts Institute of Technology</DisplayName> <OrgUnit /> </Publisher> </Publishers> <License>http://dspace.mit.edu/handle/1721.1/7582</License> <Keyword>Materials Science and Engineering.</Keyword> <Abstract>Nanocrystalline materials have a unique set of properties due to their nanometer-scale grain size. To harness these properties, grain growth in these materials needs to be suppressed, particularly in order to process bulk nanocrystalline components and to use them reliably. Alloying the material with the right elements has the potential to produce remarkably stable nanocrystalline states, particularly if the nanocrystalline state is thermodynamically stable against grain growth. This thesis builds upon previous models for selecting alloy combinations that lead to thermodynamic stability against grain growth, by developing frameworks that extend to negative enthalpy of mixing systems and ordered grain boundary complexions. These models are used to develop a generalized stability criterion based on bulk thermodynamic parameters, which can be used to select alloy systems that are formally stable against grain growth. A robust statistical mechanics framework is developed for reliable thermodynamic observations using Monte Carlo simulations to produce free energy diagrams and phase diagrams for stable nanocrystalline alloys.</Abstract> <Access xmlns="http://purl.org/coar/access_right" > </Access> </Publication>