-
Solute interactions with the <c+a> screw dislocation
No solute-dislocation interaction calculations were performed. -
<c+a> screw dislocation
DFT-optimized core structure of the screw dislocation. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR.
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Effective February 17, 2020
These Terms of Use (“Terms”) are between you and Battelle Memorial Institute, Pacific Northwest Division BATTELLE (“BATTELLE”, “we”, or “us”) and govern your access to and use of the LightMat DataHub website (“Website”), which is provided by BATTELLE as Management and Operating Contractor of the Pacific Northwest National Laboratory (“PNNL”) on behalf of the United States Department of Energy. By accessing or using the Website, you agree to be bound by these Terms. If you are accepting these Terms on behalf of another legal entity, including your employer, another business, a government, etc., you represent that you have full legal authority to bind such entity to these terms. If you do not agree to these Terms, you must not use this Website.
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Appropriate citation—including the static text and DOI, as applicable—must be included in any publication made by you or on your behalf that includes or is in any way based on use of any data available via this Website.
You must not to use the names of the U.S. Government, the U.S. Department of Energy, the Pacific Northwest National Laboratory, Battelle Memorial Institute , or the provider(s) of any data available via this Website to endorse or promote any product, service, or entity without specific prior written authorization from such entity.
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Unless otherwise specified, the Website and any information or data available via the Website are presented solely for use and access from within the United States, its territories, possessions, and protectorates. BATTELLE makes no representation or warranty of any kind that the Website or any data available via the Website is appropriate or available for use in other locations. If you access the Website from a location other than the United States, you alone are responsible for compliance with any applicable local laws.
These Terms and any posted rules on the Website constitute the entire agreement of the parties with respect to the subject matter hereof. No waiver by BATTELLE of any breach or default under these Terms will be deemed to be a waiver of any preceding or subsequent breach or default. These Terms will be binding upon and inure to the benefit of BATTELLE and its successors, trustees, and permitted assignees. BATTELLE may assign this agreement or any of its rights or obligations under these Terms with or without notice to you.
