Molecular Dynamics Simulation of the Clustering of Minor Lead Additives in Liquid Sodium
Joint Authors
Shimkevich, Inessa Yu.
Shimkevich, Alexander L.
Source
Issue
Vol. 2011, Issue 2011 (31 Dec. 2011), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2011-06-15
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
A strong influence of minor lead additives on the liquid sodium microstructure is revealed in the molecular dynamics (MD) simulation of the Na0.98Pb0.02 alloy.
The obtained results can be explained by the existence of lead-sodium clusters in liquid sodium built up by ionic bonds, Na+–Pb−, due to essential distinction of the alloy components in the electronegativity.
On this reason, MD simulation of the Na0.98Pb0.02 alloy is carried out within the framework of a three-component bipolar model, Na + Na+ + Pb−, with Na↔Na+ recharging the nearest-neighbor particles of solvent in every 3 ps (an optimal period) during the numerical run.
American Psychological Association (APA)
Shimkevich, Alexander L.& Shimkevich, Inessa Yu.. 2011. Molecular Dynamics Simulation of the Clustering of Minor Lead Additives in Liquid Sodium. Journal of Metallurgy،Vol. 2011, no. 2011, pp.1-7.
https://search.emarefa.net/detail/BIM-505711
Modern Language Association (MLA)
Shimkevich, Alexander L.& Shimkevich, Inessa Yu.. Molecular Dynamics Simulation of the Clustering of Minor Lead Additives in Liquid Sodium. Journal of Metallurgy No. 2011 (2011), pp.1-7.
https://search.emarefa.net/detail/BIM-505711
American Medical Association (AMA)
Shimkevich, Alexander L.& Shimkevich, Inessa Yu.. Molecular Dynamics Simulation of the Clustering of Minor Lead Additives in Liquid Sodium. Journal of Metallurgy. 2011. Vol. 2011, no. 2011, pp.1-7.
https://search.emarefa.net/detail/BIM-505711
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-505711
