Publication Date:
2016-03-22
Description:
Author(s): D. G. Sangiovanni, O. Hellman, B. Alling, and I. A. Abrikosov We revisit the color-diffusion algorithm [Aeberhard et al. , Phys. Rev. Lett. 108 , 095901 (2012) ] in non equilibrium ab initio molecular dynamics (NE-AIMD) and propose a simple efficient approach for the estimation of monovacancy jump rates in crystalline solids at temperatures well below melting. C… [Phys. Rev. B 93, 094305] Published Mon Mar 21, 2016
Keywords:
Dynamics, dynamical systems, lattice effects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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