625 citations · 3.8k across the 77 of their papers we have counts for
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Point defect dynamics in bcc metals
Joerg Rottler, David J. Srolovitz, Roberto Car
We present an analysis of the time evolution of self-interstitial atom and vacancy (point defect) populations in pure bcc metals under constant irradiation flux conditions. Mean-fi…
Development of an interatomic potential for phosphorus impurities in iron
G. J. Ackland, M. I. Mendelev, D. Srolovitz +2
We present the derivation of an interatomic potential for the iron phosphorus system based primarily on {\it ab initio} data. Transferrability in this system is extremely problemat…
Strongly Non-Arrhenius Self-Interstitial Diffusion in Vanadium
Luis A. Zepeda-Ruiz, Joerg Rottler, Seungwu Han +3
We study diffusion of self-interstitial atoms (SIAs) in vanadium via molecular dynamics simulations. The <111>-split interstitials are observed to diffuse one-dimensionally at low…