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Annealing kinetics of electrodeposited lithium dendrites
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See supplementary material at http://dx.doi.org/10.1063/1.4930014
for the list of ReaxFF parameters; the NVT simulation movie NVT of a sample glass-phase lithium dendrite created by CG-MC method; for surface diffusion mechanism; and for bulk diffusion mechanism.[Supplementary Material]
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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
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
diffusions. Our results are useful for predicting the inherent structural
characteristics of lithium dendrites such as dominant coordination number.
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