| LDR | | 00000nmm u2200205 4500 |
| 001 | | 000000330407 |
| 005 | | 20241029164048 |
| 008 | | 181129s2018 ||| | | | eng d |
| 020 | |
▼a 9780438368934 |
| 035 | |
▼a (MiAaPQ)AAI10844602 |
| 035 | |
▼a (MiAaPQ)purdue:23206 |
| 040 | |
▼a MiAaPQ
▼c MiAaPQ
▼d 248032 |
| 049 | 1 |
▼f DP |
| 082 | 0 |
▼a 620.11 |
| 100 | 1 |
▼a Reeve, Samuel Temple. |
| 245 | 10 |
▼a Materials Design With Molecular Dynamics: Novel Properties in Martensitic Alloys Through Free Energy Landscape Engineering. |
| 260 | |
▼a [S.l.] :
▼b Purdue University.,
▼c 2018 |
| 260 | 1 |
▼a Ann Arbor :
▼b ProQuest Dissertations & Theses,
▼c 2018 |
| 300 | |
▼a 176 p. |
| 500 | |
▼a Source: Dissertation Abstracts International, Volume: 80-01(E), Section: B. |
| 500 | |
▼a Adviser: Alejandro Strachan. |
| 502 | 1 |
▼a Thesis (Ph.D.)--Purdue University, 2018. |
| 520 | |
▼a 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. |
| 520 | |
▼a 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. |
| 520 | |
▼a 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 |
| 520 | |
▼a 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 |
| 520 | |
▼a 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 |
| 590 | |
▼a School code: 0183. |
| 650 | 4 |
▼a Materials science. |
| 690 | |
▼a 0794 |
| 710 | 20 |
▼a Purdue University.
▼b Materials Engineering. |
| 773 | 0 |
▼t Dissertation Abstracts International
▼g 80-01B(E). |
| 773 | |
▼t Dissertation Abstract International |
| 790 | |
▼a 0183 |
| 791 | |
▼a Ph.D. |
| 792 | |
▼a 2018 |
| 793 | |
▼a English |
| 856 | 40 |
▼u http://www.riss.kr/pdu/ddodLink.do?id=T14999999
▼n KERIS |
| 980 | |
▼a 201812
▼f 2019 |
| 990 | |
▼a 관리자
▼b 관리자 |