Data for: The role of chemical disorder and structural freedom in radiation-induced amorphization of silicon carbide deduced from electron spectroscopy and ab initio simulations
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资源简介:
Atomic position files of relaxed structures after atomic disordering, and melt-quenching.
Example input files for stages of VASP molecular dynamics, Conjugate Gradient Approximation relaxation, and FEFF ELNES simulations.
This data is associated with the article submission to Journal of Nuclear Materials: "The role of chemical disorder and structural freedom in radiation-induced amorphization of silicon carbide deduced from electron spectroscopy and ab initio simulations"
创建时间:
2018-12-14



