多尺度晶体材料的原位表征技术与计算模拟研究进展
陈昆峰1(
), 胡乾宇1, 刘锋2, 薛冬峰2()
), 胡乾宇1, 刘锋2, 薛冬峰2()
Multi-scale Crystallization Materials: Advances in in-situ Characterization Techniques and Computational Simulations
CHEN Kunfeng1(), HU Qianyu1, LIU Feng2, XUE Dongfeng2()
), HU Qianyu1, LIU Feng2, XUE Dongfeng2()
图13. 通过路径搜索方法研究C60二聚体结合的最佳路线[
Fig. 13. Structural snapshots and relationship between energy and GSW of the optimal route for C60 dimer binding by the path search method[
(a-f) Structural snapshots and relationship between energy and GSW steps; (g) GSW in the 0, 5, 15, 25, 40, and 80 GSW steps. Red and green represent two carbon atoms in C60, respectively
