2 records found.
TOAST: Template Oriented Atomic Simulation Toolkit
- Dataset
- Creator
-
XU, Yibin (author) (Search by this author)
;
ARAI, Masao (author) (Search by this author)
- Keyword
- CompES-X, toolkit, First-principles calculation, atomic simulation
- Date published
- 2020-11-20
- Updated at
- 2022-10-03 01:26:50 +0900
Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
- Dataset
- Creator
-
SAHARA, Ryoji (author) (Search by this author)
- Keyword
- Sommerfeld model, quasi-harmonic vibrational contribution, First-principles calculation, Debye model, titanium alloys
- Date published
- 2020-10-15
- Updated at
- 2024-01-05 22:12:16 +0900