Density Functional Theory Calculations of Segregation Tendency of Alloying Elements in Al3Zr and Al3Sc Dispersoid Particles

Race, Chris

doi:10.5281/zenodo.4552092

Published February 19, 2021 | Version 1.0.0

Dataset Open

Density Functional Theory Calculations of Segregation Tendency of Alloying Elements in Al3Zr and Al3Sc Dispersoid Particles

Race, Chris¹

1. University of Manchester, Department of Materials

Results and analysis of density functional theory calculations for publication: Stability and stoichiometry of L1₂ Al₃(Sc,Zr) dispersoids in Al-(Si)-Sc-Zr alloys

Files

Files (325.9 kB)

Name	Size	Download all
dft_data_and_analysis.tgz md5:a49ed337d013e4feed8c590fd3740a05	325.9 kB	Download

314

Views

Downloads

Show more details

	All versions	This version
Views	314	314
Downloads	94	94
Data volume	31.3 MB	31.3 MB

More info on how stats are collected....

DOI

Resource type

Dataset

Publisher

Zenodo

Languages

English

License: Creative Commons Attribution 4.0 International

The Creative Commons Attribution license allows re-distribution and re-use of a licensed work on the condition that the creator is appropriately credited. Read more

Technical metadata

Created: March 18, 2021
Modified: August 4, 2021

Density Functional Theory Calculations of Segregation Tendency of Alloying Elements in Al3Zr and Al3Sc Dispersoid Particles

Authors/Creators

Description

Files

Files (325.9 kB)