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Materials Design With Molecular Dynamics: Novel Properties in Martensitic Alloys Through Free Energy Landscape Engineering
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| 자료유형 | E-Book |
|---|---|
| 개인저자 | Reeve, Samuel Temple. |
| 단체저자명 | Purdue University. Materials Engineering. |
| 서명/저자사항 | Materials Design With Molecular Dynamics: Novel Properties in Martensitic Alloys Through Free Energy Landscape Engineering. |
| 발행사항 | [S.l.] : Purdue University., 2018 |
| 발행사항 | Ann Arbor : ProQuest Dissertations & Theses, 2018 |
| 형태사항 | 176 p. |
| 소장본 주기 | School code: 0183. |
| ISBN | 9780438368934 |
| 일반주기 |
Source: Dissertation Abstracts International, Volume: 80-01(E), Section: B.
Adviser: Alejandro Strachan. |
| 요약 | Novel properties in martensitic alloys are predicted using molecular dynamics (MD) simulations, the uncertainty from input models in MD is explored and quantified, and new data infrastructure for MD is developed. |
| 요약 | The possible regimes of material properties are extended through free energy landscape engineering (FELE), where coherent, epitaxial integration of two materials at the nanoscale can result in metamaterials with fundamentally different behavior. |
| 요약 | Beginning from simpler models, functional uncertainty quantification (FunUQ) is developed to directly address the errors between multiple interatomic models. Functional derivatives describe the sensitivity to local changes to the input function |
| 요약 | Improvements for community use of MD simulations is finally presented through use of the nanoHUB online collaboration and cloud computing platform to improve a growing materials data infrastructure (MDI). Tools which introduce unfamiliar users t |
| 요약 | To conclude, future possibilities and challenges with FELE are considered within martensitic materials and beyond, extension of FunUQ to complex interatomic models and applicability to other materials modeling is examined, and new directions in |
| 일반주제명 | Materials science. |
| 언어 | 영어 |
| 기본자료 저록 | Dissertation Abstracts International80-01B(E). Dissertation Abstract International |
| 대출바로가기 | http://www.riss.kr/pdu/ddodLink.do?id=T14999999 |
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| No. | 등록번호 | 청구기호 | 소장처 | 도서상태 | 반납예정일 | 예약 | 서비스 | 매체정보 |
|---|---|---|---|---|---|---|---|---|
| 1 | WE00024734 | 620.11 | 가야대학교// | 대출가능 |
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