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
Published: 14 December 2018| Version 1 | DOI: 10.17632/nhhj9yckh9.1
Contributors:
Alexander Leide, Ju Li, Lin Shao, Di Chen, Ziqiang Wang, Linn HobbsDescription
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"
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Categories
Silicon Carbide, Amorphization, Radiation Damage