Theoretical Study of Kaolinite Structure;Energy Minimization and Crystal Properties
Theoretical Study of Kaolinite Structure;Energy Minimization and Crystal Properties作者机构：不详
出 版 物：《World Journal of Nano Science and Engineering》 (纳米科学与工程（英文）)
年 卷 期：2011年第1卷第2期
页 面：62-66页
主 题：Kaolinite GULP Energy Crystal Properties Calculation Elasticity
摘 要：Computational energy minimization techniques have been used to study the structure and crystal properties of kaolinite. The full elastic tensors of the sheet silicates of clay have been derived with first-principles calculations based on density functional theory. All calculations were performed using GULP program.
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