상세정보
Export to Refworks부가기능
Materials Design With Molecular Dynamics: Novel Properties in Martensitic Alloys Through Free Energy Landscape Engineering
상세 프로파일
| 자료유형 | 학위논문 |
|---|---|
| 서명/저자사항 | Materials Design With Molecular Dynamics: Novel Properties in Martensitic Alloys Through Free Energy Landscape Engineering. |
| 개인저자 | Reeve, Samuel Temple. |
| 단체저자명 | Purdue University. Materials Engineering. |
| 발행사항 | [S.l.]: Purdue University., 2018. |
| 발행사항 | Ann Arbor: ProQuest Dissertations & Theses, 2018. |
| 형태사항 | 176 p. |
| 기본자료 저록 | Dissertation Abstracts International 80-01B(E). Dissertation Abstract International |
| ISBN | 9780438368934 |
| 학위논문주기 | Thesis (Ph.D.)--Purdue University, 2018. |
| 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 |
| 바로가기 | 
: 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
