Computational Materials Science - Ordering effects in 2D hexagonal systems of binary and ternary C-B-N alloys
收藏Mendeley Data2018-01-22 更新2026-04-09 收录
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资源简介：
Processed data used in preparation of paper "Ordering effects in 2D hexagonal systems of binary and ternary C-B-N alloys". It contains: - files with energy during simulation of BC2N systems, - differences in energy for other systems under interest, - initial and final positions after Monte Carlo simulation for exemplary concentrations and temperatures, - Warren-Cowley Short Range Order Parameters for initial and final positions of the systems.
本数据集为用于撰写论文《二元与三元C-B-N合金二维六角体系的有序效应》的预处理数据，具体包含以下内容：
- BC₂N体系模拟过程中的能量数据文件；
- 目标研究体系的能量差值数据；
- 针对示例性浓度与温度条件开展蒙特卡洛（Monte Carlo）模拟后，体系的初始与最终构型位置文件；
- 各体系初始与最终构型对应的沃伦-考利短程有序参数（Warren-Cowley Short Range Order Parameters）。
创建时间：
2018-01-22
