DD2

Published datasets resulting from Design and Discovery project DD2 "From Atoms to Additive Manufacturing: Computational Design of Complex Metal Alloys".

materialscloud:s4-g3 — Yield strength and misfit volumes of NiCoCr and implications for short-range-order, by B. Yin, W. Curtin
Related MARVEL publication:
- B. Yin, S. Yoshida, N. Tsuji, W. A. Curtin, Yield strength and misfit volumes of NiCoCr and implications for short-range-order, Nature Communications 11, 2507 (2020). [Open Access URL]
  Group(s): Curtin / Project(s): DD2
materialscloud:8f-1s — Pure Magnesium DFT calculations for interatomic potential fitting, by B. Yin, M. Stricker, W. A. Curtin
Related MARVEL publications:
- M. Stricker, W. A. Curtin, Prismatic Slip in Magnesium, The Journal of Physical Chemistry C 124, 27230 (2020).[Open Access URL]
  Group(s): Curtin / Project(s): DD2
- M. Stricker, B. Yin, E. Mak, W. A. Curtin, Machine learning for metallurgy II. A neural-network potential for magnesium, Physical Review Materials 4, 103602 (2020). [Open Access URL]
  Group(s): Curtin / Project(s): DD2
materialscloud:6k-je — Machine learning for metallurgy: a neural network potential for Al-Cu, by D. Marchand, A. Jain, A. Glensk, W. A. Curtin
Related MARVEL publication:
- D. Marchand, A. Jain, A. Glensk, W. A. Curtin, Machine learning for metallurgy I. A neural-network potential for Al-Cu, Physical Review Materials 4, 103601 (2020). [Open Access URL]
  Group(s): Curtin / Project(s): DD2
materialscloud:qy-dp — Randomly-displaced methane configurations, by S. Pozdnyakov, M. Willatt, M. Ceriotti
Related MARVEL publication:
- J. Nigam, S. Pozdnyakov, M. Ceriotti, Recursive evaluation and iterative contraction of N-body equivariant features, The Journal of Chemical Physics 153, 121101 (2020). [Open Access URL]
  Group(s): Ceriotti / Project(s): DD2
materialscloud:2020.0045/v1 — Origin of high strength in the CoCrFeNiPd high-entropy alloy, by B. Yin, W. A. Curtin
Related MARVEL publication:
- B. Yin, W. A. Curtin, Origin of high strength in the CoCrFeNiPd high-entropy alloy, Materials Research Letters 8, 209 (2020). [Open Access URL]
  Group(s): Curtin / Project(s): DD2
materialscloud:2020.0020/v1 — Vanadium is an optimal element for strengthening in both fcc and bcc high-entropy alloys, by B. Yin, F. Maresca, W. A. Curtin
Related MARVEL publication:
- B. Yin, F. Maresca, W. A. Curtin, Vanadium is an optimal element for strengthening in both fcc and bcc high-entropy alloys, Acta Materialia 188, 486 (2020). [Open Access URL]
  Group(s): Curtin / Project(s): DD2
materialscloud:2019.0089/v1 — Stress-dependence of generalized stacking fault energies: a DFT study, by B. Yin, P. Andric, W. A. Curtin
Related MARVEL publication:
- P. Andric, B. Yin, W. A. Curtin, Stress-dependence of generalized stacking fault energies, Journal of the Mechanics and Physics of Solids 122, 262–279 (2019). [Open Access URL]
  Group(s): Curtin / Project(s): DD2
materialscloud:2018.0019/v1 — Special quasi-random structures for the 6-component high entropy alloys, by B. Yin, W. Curtin
Related MARVEL publication:
- B. Yin, W. A. Curtin, First-principles-based prediction of yield strength in the RhIrPdPtNiCu high entropy alloy, npj Computational Materials 5, 14 (2019). [Open Access URL]
  Group(s): Curtin / Project(s): DD2