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Title: PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds

Authors:
; ORCiD logo ; ; ; ;
Publication Date:
Grant/Contract Number:
EDCBEE; FG000568; AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Volume: 193; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-04 09:24:08; Journal ID: ISSN 0010-4655
Publisher:
Elsevier
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Fossil Energy (FE)
Country of Publication:
Netherlands
Language:
English
OSTI Identifier:
1246973