Projects per year
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Dive into the research topics where Multiscale Modeling & Materials by Desig is active. These topic labels come from the works of this organization's members. Together they form a unique fingerprint.
Researcher collaborations from the last five years
Based on publications and projects (not datasets). Dive into details by clicking on the dots or
Profiles
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Gerry Knapp
- Multiscale Modeling & Materials by Desig - R&D Staff - Process Modeling for Advance
Person
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Sunyong Kwon
- Multiscale Modeling & Materials by Desig - Computational Thermodynamics- R&D Associ
Person
Projects
- 2 Finished
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Advance Castable Nanostructured Alloys for First-Wall/Blanket Applications
Yang, Y. (PI)
Advanced Research Projects Agency - Energy
03/15/21 → 09/14/24
Project: Research
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Research output
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Accelerated discovery of OER catalysts in Pnma perovskites via machine learning with minimal DFT structure relaxation
Kim, C., Yoon, M. & Lee, J. H., Jan 2026, In: Computational Materials Science. 261, 114320.Research output: Contribution to journal › Article › peer-review
5 Scopus citations -
A first principles approach for determining solute effect on electrical resistivity of Aluminum solid solution
Samolyuk, G., Shyam, A. & Yoon, M., Mar 15 2026, In: Scripta Materialia. 274, 117138.Research output: Contribution to journal › Article › peer-review
1 Scopus citations -
Alloy design for sustainable aluminum high pressure die castings: A review
Shyam, A., Plotkowski, A., Wang, Q., Wang, A., Bahl, S., Rakhmonov, J., Hartlieb, M., Yang, Y., Richter, N., Knapp, G., Kwon, S., Jun, J., Shin, D. & Haynes, J. A., 2026, (Accepted/In press) In: International Materials Reviews.Research output: Contribution to journal › Review article › peer-review
Open Access
Prizes
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2021 R&D 100 Award for UCC: Ultraconductive Copper-Carbon Nanotube Composite
Aytug, T. (Recipient), Li, K. (Recipient), Ozpineci, B. (Recipient), McGuire, M. (Recipient), List III, F. (Recipient), Ozcan, S. (Recipient), Skolrood, L. (Recipient), Ivanov, I. (Recipient), Yoon, M. (Recipient) & Lupini, A. (Recipient), 2021
Prize: Honorary award
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2022 R&D 100 Award for DuAlumin-3D: An Additively Manufactured Dual-Strengthened Aluminum Alloy Designed for Extreme Creep and Fatigue Resistance
Plotkowski, A. (Recipient), Wang, Q. (Recipient), Jones, J. (Recipient), Wang, A. (Recipient), Hess, D. (Recipient), Wilson, D. (Recipient), Gerard, D. (Recipient), Burkle, D. (Recipient), Jones, R. (Recipient), Stansberry, C. (Recipient), Shyam, A. (Recipient), Dehoff, R. (Recipient), Haynes, J. A. (Recipient), Michi, R. A. (Recipient), Bahl, S. (Recipient), Yang, Y. (Recipient), Allard Jr, L. (Recipient), Poplawsky, J. (Recipient), Peter, B. (Recipient), Splitter, D. (Recipient), Jun, J. (Recipient) & Sisco, K. (Recipient), 2022
Prize: Honorary award
Datasets
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Inelastic Neutron Scattering Data for FeSn
Do, S.-H. (Creator), Kaneko, K. (Creator), Kajimoto, R. (Creator), Kamazawa, K. (Creator), Stone, M. (Creator), Lin, J. (Creator), Itoh, S. (Creator), Masuda, T. (Creator), Samolyuk, G. (Creator), Dagotto, E. (Creator), Meier, W. (Creator), Sales, B. (Creator), Miao, H. (Creator) & Christianson, A. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Jun 3 2022
DOI: 10.13139/ORNLNCCS/1870675
Dataset
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FeSi binary alloy electronic structure low-Si dataset (1024 atoms)
Lupo Pasini, M. (Creator), Reeve, S. (Creator), Samolyuk, G. (Creator), Ellis, D. (Creator) & Eisenbach, M. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Feb 15 2021
DOI: 10.13139/ORNLNCCS/1765080
Dataset
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NbTaV_BCC_SolidSolution_128atoms_VASP6
Lupo Pasini, M. (Creator), Samolyuk, G. (Creator), Eisenbach, M. (Creator), Choi, J. Y. (Creator) & Yang, Y. (Creator), Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States), Nov 30 2023
Dataset