退火(玻璃)
动力学
分子动力学
材料科学
活化能
蒙特卡罗方法
枝晶(数学)
化学物理
锂(药物)
热力学
化学
物理化学
计算化学
复合材料
物理
统计
内分泌学
医学
量子力学
数学
几何学
作者
Asghar Aryanfar,Tao Cheng,A. J. Colussi,Boris V. Merinov,William A. Goddard,Michael R. Hoffmann
摘要
The densifying kinetics of lithium dendrites is characterized with effective activation energy of Ea ≈ 6 - 7 kcal mol(-1) in our experiments and molecular dynamics computations. We show that heating lithium dendrites for 55 °C reduces the representative dendrites length λ¯(T,t) up to 36%. NVT reactive force field simulations on three-dimensional glass phase dendrites produced by our coarse grained Monte Carlo method reveal that for any given initial dendrite morphology, there is a unique stable atomic arrangement for a certain range of temperature, combined with rapid morphological transition (∼10 ps) within quasi-stable states involving concurrent bulk and surface diffusions. Our results are useful for predicting the inherent structural characteristics of lithium dendrites such as dominant coordination number.
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