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Filtering by: Computational methods statistical mechanics Type of work Dataset Keyword titanium alloys Resource type Dataset

Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures

Description/Abstract:

These atomic coordinates are examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hc...

Keyword:

Debye model, First-principles calculation, Sommerfeld model, quasi-harmonic vibrational contribution, and titanium alloys

Resource Type:

Dataset

Data origin:

simulations

Author:

SAHARA, Ryoji

Date Uploaded:

09/10/2020

Date Modified:

20/10/2020