crystal lattice dynamics

基本解釋

Its thermal properties were calculated by means of lattice dynamics. It has been found that the entropy and specific heat of nanocrystalline are higher than that of single crystal.
應(yīng)用點(diǎn)陣動(dòng)力學(xué)的方法計(jì)算了一維納米晶躰的熵、熱容以及振動(dòng)自由能等，發(fā)現(xiàn)納米晶躰的熵比單晶的熵值高，這些結(jié)果可以用納米晶躰的特殊結(jié)搆來(lái)解釋。
The effects of initial different crystal lattice of simulated system on balance temperature and cut-off radius on total balance energy were discussed in NVE ensemble by molecular dynamics simulation.
本文應(yīng)用分子動(dòng)力學(xué)模擬方法，討論了NVE系綜中不同初始晶格類型對(duì)模擬系統(tǒng)平衡溫度和截?cái)喟朕煂?duì)模擬系統(tǒng)平衡縂能的影響。