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1.
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
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Debye model
1
First-principles calculation
1
Sommerfeld model
1
quasi-harmonic vibrational contribution
1
titanium alloys
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Dataset
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Creative Commons BY Attribution 4.0 International
1
Computational methods
statistical mechanics
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simulations
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Author
SAHARA, Ryoji
1
License
https://creativecommons.org/licenses/by/4.0/
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