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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:
AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Name: Computer Physics Communications Journal Volume: 193 Journal Issue: C; Journal ID: ISSN 0010-4655
Publisher:
Elsevier
Sponsoring Org:
USDOE
Country of Publication:
Netherlands
Language:
English
OSTI Identifier:
1246973

Ding, Hong, Medasani, Bharat, Chen, Wei, Persson, Kristin A., Haranczyk, Maciej, and Asta, Mark. PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds. Netherlands: N. p., Web. doi:10.1016/j.cpc.2015.03.015.
Ding, Hong, Medasani, Bharat, Chen, Wei, Persson, Kristin A., Haranczyk, Maciej, & Asta, Mark. PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds. Netherlands. doi:10.1016/j.cpc.2015.03.015.
Ding, Hong, Medasani, Bharat, Chen, Wei, Persson, Kristin A., Haranczyk, Maciej, and Asta, Mark. 2015. "PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds". Netherlands. doi:10.1016/j.cpc.2015.03.015.
@article{osti_1246973,
title = {PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds},
author = {Ding, Hong and Medasani, Bharat and Chen, Wei and Persson, Kristin A. and Haranczyk, Maciej and Asta, Mark},
abstractNote = {},
doi = {10.1016/j.cpc.2015.03.015},
journal = {Computer Physics Communications},
number = C,
volume = 193,
place = {Netherlands},
year = {2015},
month = {8}
}