Molecular Dynamics Simulation of Amorphous Vanadium Pentoxide

Vanadium Pentoxide and Other Inorganic Vanadium Compounds

Amorphous Silica: A Molecular Dynamics Computer Simulation

We use molecular dynamics computer simulations to calculate the frequency dependence of the specific heat of a SiO2 melt. The ions interact with the BKS potential and the simulations are done in the NVE ensemble. We find that the frequency dependence of the specific heat shows qualitatively the same behavior as the one of structural quantities, in that at high frequencies a microscopic peak is ...

VANADIUM PENTOXIDE 1. Exposure Data

The nomenclature of selected vanadium compounds is given in Table 1. Chem. Abstr. Serv. Reg. No.: 1314-62-1 Deleted CAS Reg. No.: 12503-98-9; 56870-07-6; 87854-55-5; 87854-56-6; 16616537-3; 172928-47-1; 184892-22-6; 200577-85-1; 203812-34-4; 251927-12-5; 41054690-6 Chem. Abstr. Serv. Name: Vanadium oxide (V2O5) IUPAC Systematic Name: Vanadium oxide Synonyms: CI 77938; divanadium pentaoxide; pen...

Investigation of Melting by Molecular Dynamics Simulation

The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...

Cation-Induced Coiling of Vanadium Pentoxide Nanobelts

Single-crystalline V(2)O(5)·xH(2)O nanorings and microloops were chemically assembled via an ion-induced chemical spinning route in the designed hydrothermal system. The morphology and structure of products were investigated by means of scanning electron microscopy (SEM) and transmission electron microscopy (TEM). X-ray powder diffraction (XRD) measurement, energy-dispersive X-ray spectroscopy ...