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Three-dimensional Ehrlich-Schwoebel Barriers of W
Department of Mechanical, Aerospace and Nuclear Engineering,Rensselaer Polytechnic Institute, Troy, NY 12180
Department of Chemical and Biological Engineering, RensselaerPolytechnic Institute, Troy, NY 12180
Correspondence author, email: hanchen@rpi.edu
Computers, Materials & Continua 2006, 3(1), 43-48. https://doi.org/10.3970/cmc.2007.003.043
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Recent studies show that three-dimensional Ehrlich-Schwoebel (3D ES), or facet-facet, barriers of face-centered-cubic metals are substantially higher than other surface diffusion barriers. This paper presents the numerical results of 3D ES barriers for body-centered-cubic W, using classical molecular statics calculations and the nudged elastic band method. Results show that an adatom on W{110} has a diffusion barrier of 0.49 eV on the flat surface, 0.66 eV over a monolayer step, and 0.98 eV over a ridge to a neighboring {100} facet, which is one 3D ES barrier.Keywords
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APA Style
Xu, Z., Zhou, L.G., Wang, J., Cale, T.S., Huang, H. (2006). Three-dimensional ehrlich-schwoebel barriers of W. Computers, Materials & Continua, 3(1), 43-48. https://doi.org/10.3970/cmc.2007.003.043
Vancouver Style
Xu Z, Zhou LG, Wang J, Cale TS, Huang H. Three-dimensional ehrlich-schwoebel barriers of W. Comput Mater Contin. 2006;3(1):43-48 https://doi.org/10.3970/cmc.2007.003.043
IEEE Style
Z. Xu, L.G. Zhou, J. Wang, T.S. Cale, and H. Huang "Three-dimensional Ehrlich-Schwoebel Barriers of W," Comput. Mater. Contin., vol. 3, no. 1, pp. 43-48. 2006. https://doi.org/10.3970/cmc.2007.003.043
This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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