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Atomistic models of carbonate minerals: Bulk and surface structures, defects, and diffusion

โœ Scribed by Cygan, Randall T.; Wright, Kate; Fisler, Diana K.; Gale, Julian D.; Slater, Ben

Book ID
121206175
Publisher
Taylor and Francis Group
Year
2002
Tongue
English
Weight
389 KB
Volume
28
Category
Article
ISSN
0892-7022

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Atomistic modeling of ฮฒ-Sn surface energ
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Energies for low number Miller index surfaces of โค-Sn (b.c.t. structure) were computed and the (1 0 0) plane was found to have the lowest un-relaxed energy of 0.0497 eV/ร… 2 . We then used the Dimer method to find mechanisms and corresponding activation energies, E A , for a Sn adatom moving on a โค-S