{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/101615"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/101615","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Ab initio based Monte Carlo model of phase transformations in ferromagnetic shape memory alloys","abstract":"We present a computational framework for describing and predicting the phase transformation behavior of ferromagnetic shape memory alloys (FSMAs). This framework is intended to aid in the discovery of new FSMAs and optimize desired properties of existing FSMAs for engineering applications such as solid state refrigeration. Predicting the phase transformation behavior in theses alloys is necessary to determine the degree to which they will exhibit the magnetocaloric effect (MCE), which is a promising alternative to conventional refrigeration mechanisms. Our framework consists of a combination of ab-initio simulations and Monte Carlo models which allow an alloy to be examined across its phase space without the need for any empirical parameters. In this document, we focus on the Heusler alloy Ni50Mn50-XInX as it has already been the subject of substantial experimental and computational work. This material serve as a benchmark for the development of our method. In the remainder of this document we will discuss the framework and how the ab-initio and Monte Carlo methods are integrated.","abstract_html":"We present a computational framework for describing and predicting the phase transformation behavior of ferromagnetic shape memory alloys (FSMAs). This framework is intended to aid in the discovery of new FSMAs and optimize desired properties of existing FSMAs for engineering applications such as solid state refrigeration. Predicting the phase transformation behavior in theses alloys is necessary to determine the degree to which they will exhibit the magnetocaloric effect (MCE), which is a promising alternative to conventional refrigeration mechanisms. Our framework consists of a combination of ab-initio simulations and Monte Carlo models which allow an alloy to be examined across its phase space without the need for any empirical parameters. In this document, we focus on the Heusler alloy Ni50Mn50-XInX as it has already been the subject of substantial experimental and computational work. This material serve as a benchmark for the development of our method. In the remainder of this document we will discuss the framework and how the ab-initio and Monte Carlo methods are integrated.","abstract_has_math":false,"creators":["Blankenau, Brian"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"M.S.","degree_level":"Thesis","degree_discipline":"Mechanical Engineering","degree_department":null,"school":null,"contributors":["Ertekin, Elif"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2018,"date_issued":"2018-09-27T16:17:58Z","date_published":"2018-09-27T16:17:58Z","updated_at":"2026-07-22T22:24:40Z","subjects":["Monte Carlo","Shape Memory Alloy","Magnetic Shape Memory Alloy","Magnetocaloric Effect","Ni2MnIn"],"languages":["en"],"rights":["Copyright 2018 Brian Blankenau"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/101615","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Ertekin, Elif"]},{"key":"dc:creator","label":"Author","values":["Blankenau, Brian"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2018-09-27T16:17:58Z","2018-07-20","2018-08"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Mechanical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["M.S."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Monte Carlo","Shape Memory Alloy","Magnetic Shape Memory Alloy","Magnetocaloric Effect","Ni2MnIn"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2018 Brian Blankenau"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/101615"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["We present a computational framework for describing and predicting the phase transformation behavior of ferromagnetic shape memory alloys (FSMAs). This framework is intended to aid in the discovery of new FSMAs and optimize desired properties of existing FSMAs for engineering applications such as solid state refrigeration. Predicting the phase transformation behavior in theses alloys is necessary to determine the degree to which they will exhibit the magnetocaloric effect (MCE), which is a promising alternative to conventional refrigeration mechanisms. Our framework consists of a combination of ab-initio simulations and Monte Carlo models which allow an alloy to be examined across its phase space without the need for any empirical parameters. In this document, we focus on the Heusler alloy Ni50Mn50-XInX as it has already been the subject of substantial experimental and computational work. This material serve as a benchmark for the development of our method. In the remainder of this document we will discuss the framework and how the ab-initio and Monte Carlo methods are integrated.","Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2018-09-27 without embargo terms","The student, Brian Blankenau, accepted the attached license on 2018-07-18 at 11:12.","The student, Brian Blankenau, submitted this Thesis for approval on 2018-07-19 at 16:35.","This Thesis was approved for publication on 2018-07-20 at 08:21.","DSpace SAF Submission Ingestion Package generated from Vireo submission #12922 on 2018-09-27 at 10:49:17","Made available in DSpace on 2018-09-27T16:17:58Z (GMT). No. of bitstreams: 2 BLANKENAU-THESIS-2018.pdf: 2440938 bytes, checksum: cca0438b8342e38b7f0f7c19cb96dad6 (MD5) LICENSE.txt: 4212 bytes, checksum: b691f3dc5127ee95d35eb58599742c82 (MD5) Previous issue date: 2018-07-20"]},{"key":"dc:format","label":"Dc Format","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Ab initio based Monte Carlo model of phase transformations in ferromagnetic shape memory alloys"]}]}],"canonical_facts":{"dc:contributor":["Ertekin, Elif"],"dc:creator":["Blankenau, Brian"],"dc:date":["2018-09-27T16:17:58Z","2018-07-20","2018-08"],"dc:description":["We present a computational framework for describing and predicting the phase transformation behavior of ferromagnetic shape memory alloys (FSMAs). This framework is intended to aid in the discovery of new FSMAs and optimize desired properties of existing FSMAs for engineering applications such as solid state refrigeration. Predicting the phase transformation behavior in theses alloys is necessary to determine the degree to which they will exhibit the magnetocaloric effect (MCE), which is a promising alternative to conventional refrigeration mechanisms. Our framework consists of a combination of ab-initio simulations and Monte Carlo models which allow an alloy to be examined across its phase space without the need for any empirical parameters. In this document, we focus on the Heusler alloy Ni50Mn50-XInX as it has already been the subject of substantial experimental and computational work. This material serve as a benchmark for the development of our method. In the remainder of this document we will discuss the framework and how the ab-initio and Monte Carlo methods are integrated.","Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2018-09-27 without embargo terms","The student, Brian Blankenau, accepted the attached license on 2018-07-18 at 11:12.","The student, Brian Blankenau, submitted this Thesis for approval on 2018-07-19 at 16:35.","This Thesis was approved for publication on 2018-07-20 at 08:21.","DSpace SAF Submission Ingestion Package generated from Vireo submission #12922 on 2018-09-27 at 10:49:17","Made available in DSpace on 2018-09-27T16:17:58Z (GMT). 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