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

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"

原子无序化与熔融淬火后弛豫结构的原子位置文件。
包含VASP分子动力学、共轭梯度近似（Conjugate Gradient Approximation）弛豫以及FEFF电子能量损失谱近边精细结构（ELNES）模拟各阶段的示例输入文件。

本数据集关联一篇投稿至《核材料期刊》（Journal of Nuclear Materials）的论文："基于电子能谱与从头算模拟推导化学无序与结构自由度在碳化硅辐射致非晶化中的作用"