【摘要】 我們用Monte-Carlo模拟方法,模拟离子晶体与它的熔体相平衡时的界面型貌,得出:当界面形貌因子γ>13时,界面是光滑的;当γ<12时界面是粗糙的。本文还探討了γ因子的物理意义:γ与物质的相变熵L/KT成正比;与馬德隆常数成反比;另外也与晶体在熔体中浸潤情况有关,当浸潤角小时,γ值也小;浸潤角大时,γ值也大。經过推算,大多数离子晶体从熔态中生长时的γ值均小于12,因而界面是粗糙的,生长是連續的。更多还原

【Abstract】 The interface between ionic crystal and its melt in equilibrium is simulated by Monte-Carlo method. The conclusion is that, the structure of the interface with a faetor γ>13 is smooth; while for γ<12, it is rough. The physical meaning of γ factor is also discussed: it is proportional to the entropy of fusion L/KT; and inversely proportional to the Madelung constant; it is also related to the contact angle of the crystal wetting in melt. The smaller the contact angle, the lower γ is; for bigger contact angle, γ is higher. By calculation it is found that the values of γ of most ionic crystals growing from melt are generally less than 12, so the interfaces are rough, and thir growth is continuous.更多还原