𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics simulations of the formation for NaCl cluster at the interface between the supersaturated solution and the substrate

✍ Scribed by Shinya Yamanaka; Atsuko Shimosaka; Yoshiyuki Shirakawa; Jusuke Hidaka


Publisher
Springer Netherlands
Year
2009
Tongue
English
Weight
497 KB
Volume
12
Category
Article
ISSN
1388-0764

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Molecular dynamics simulations of sorpti
✍ Teppen, Brian J.; Yu, Ching-Hsing; Miller, David M.; SchοΏ½fer, Lothar πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 759 KB

The adsorption of trichloroethene, C HCl , on clay mineral 2 3 surfaces in the presence of water has been modeled as an example describing a general program that uses molecular dynamics simulations to study the sorption of organic materials at the clay mineralraqueous solution interface. Surfaces o

Molecular dynamics simulations of the in
✍ Yuhang Jing; Qingyuan Meng; Wei Zhao πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 407 KB

Molecular dynamics simulations are performed to investigate the interaction between 601 shuffle dislocation and tetrainterstitial (I 4 ) cluster in silicon, using Stillinger-Weber (SW) potential to calculate the interatomic forces. Based on Parrinello-Rahman method, shear stress is exerted on the mo

Charge separation at the ice/water inter
✍ Taras Bryk; A.D.J. Haymet πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 118 KB

The behavior of Na and Cl ions over a total time of 1.5 ns ice basal planeyvacuum interface is simulated with the SPCyE q y model of water molecules at a temperature close to the coexistence point. It is found that the Na ion stays for almost the whole q simulation time in the top broad ice surface

Molecular dynamics simulations of aqueou
✍ Brad A. Bauer; Joseph E. Davis; Michela Taufer; Sandeep Patel πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 291 KB

## Abstract Molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide an atomistic view of chemical systems and processes that is not obtainable through experiment. However, large‐scale MD simulations require access to multicore clusters or supercomputer