𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics simulations of the temperature effect in the hardness on Cr and CrN films

✍ Scribed by S. Amaya- Roncancio; D.F. Arias-Mateus; M.M. Gómez-Hermida; J.C. Riaño-Rojas; E. Restrepo-Parra

Book ID
116244985
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
487 KB
Volume
258
Category
Article
ISSN
0169-4332

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The Jahn-Teller effect of the Cr2+ ion i
The Jahn-Teller effect of the Cr2+ ion in aqueous solution: Ab initio QM/MM molecular dynamics simulations
✍ Chinapong Kritayakornupong 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 151 KB 👁 2 views

## Abstract The hydration structure of Cr^2+^ has been studied using molecular dynamics (MD) simulations including three‐body corrections and combined __ab initio__ quantum mechanical/molecular mechanical (QM/MM) MD simulations at the Hartree‐Fock level. The structural properties are determined in

The effects of solvent and temperature o
The effects of solvent and temperature on the structural integrity of monomeric melittin by molecular dynamics simulations
✍ Hsuan-Liang Liu; Chia-Ming Hsu 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 370 KB

In this study, the secondary structural integrity of monomeric melittin was shown to depend strongly on the solvent by 200 ps molecular dynamics simulations with temperature jump technique. The a-helix content of melittin increased with increasing the aliphatic chain length of alcohol and decreased