𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg

✍ Scribed by Sun, D. Y.; Mendelev, M. I.; Becker, C. A.; Kudin, K.; Haxhimali, Tomorr; Asta, M.; Hoyt, J. J.; Karma, A.; Srolovitz, D. J.

Book ID
121403414
Publisher
The American Physical Society
Year
2006
Tongue
English
Weight
230 KB
Volume
73
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Free energies for association of Cs+ to
Free energies for association of Cs+ to 18-crown-6 in water. A molecular dynamics study including counter ions
✍ Liem X. Dang πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 349 KB

Molecular dynamics simulations have been performed to obtain free energy profiles, for the association of Cs+ to 18-crown-6 in water. This is the first study of cation-crown ether interactions in aqueous solutions that explicitly includes the counter ion. This work also provides the first quantitat