Document Detail

Two-phase simulation of the crystalline silicon melting line at pressures from -1 to 3 GPa.
MedLine Citation:
PMID:  22894359     Owner:  NLM     Status:  In-Data-Review    
Results of a numerical investigation of crystalline silicon melting line within the range of pressures from -1 to 3 GPa are presented. A two-phase molecular dynamics method is applied to obtain temperature, pressure, and densities of solid and liquid phases on the melting line. Using a special procedure we ensure the strict control of the two-phase equilibrium in the simulation cell. To describe the interaction between the atoms four classic potentials have been chosen: the Stillinger-Weber one and three modified variants of the Tersoff potential. For the Stillinger-Weber and Tersoff potentials in the modification by Kumagai-Izumi-Hara-Sakai a good coincidence with experimental data on crystalline Si melting temperature is obtained within the range of pressure from 0 to 3 GPa. Calculations of the solid and liquid phase densities on the silicon melting line for the Stillinger-Weber potential are also in close agreement with experiments.
V S Dozhdikov; A Yu Basharin; P R Levashov
Related Documents :
11490379 - Development of a sleeve sensor for measurement of sphincter of oddi motility.
3373109 - Duodenal resistance to the emptying of various solutions from the isolated cat stomach.
1765619 - Locally and reflexly mediated effects of cholecystokinin-octapeptide on the ferret stom...
9365919 - Characterization of vagal pathways mediating gastric accommodation reflex in rats.
748089 - A hydraulic behavior of the mucosal structure of the intramural common bile duct. an ex...
2379769 - Most asthmatics have gastroesophageal reflux with or without bronchodilator therapy.
3286599 - Effect of intravenous catalase on the pulmonary vascular response to endotoxemia in goats.
7198519 - Mechanism of early systolic closure of the aortic valve in discrete membranous subaorti...
2983749 - Cardiac effects of sodium stibogluconate.
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  137     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2012 Aug 
Date Detail:
Created Date:  2012-08-16     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  054502     Citation Subset:  IM    
Joint Institute for High Temperatures RAS, Izhorskaya 13 bldg. 2, Moscow 125412, Russia.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

Previous Document:  Structural and chemical properties of the nitrogen-rich energetic material triaminoguanidinium 1-met...
Next Document:  Nuclear magnetic relaxation induced by exchange-mediated orientational randomization: Longitudinal r...