DocumentCode :
577533
Title :
Change of interatomic interaction in metals caused by excitation of an electronic subsystem
Author :
Yanin, Sergey
Author_Institution :
National Research Tomsk Polytechnic University, Tomsk Russia
fYear :
2012
fDate :
18-21 Sept. 2012
Firstpage :
1
Lastpage :
5
Abstract :
A method of calculation of interatomic interaction potentials in the presence of ionized states has been developed. They have been obtained for the atoms with different ionization degree on example of aluminum. Molecular dynamic simulation of atoms transfer in the crystalline lattice showed that emission of ions from track of fast charged particle near the surface is possible (“Coulomb explosion”) if the lifetime of ionized states is 10-13s and higher. On the basis of pseudopotential approach, the interaction potentials behavior has been analyzed under conditions of excitation of electronic subsystem. It was discovered that thermal smearing of Fermi surface does not lead to any significant change of interatomic interaction forces and local increase in the conduction electrons concentration causes “softening” of the crystalline lattice, when the configuration with smaller interatomic distance becomes the equilibrium one.
Keywords :
Fermi surface; aluminium; dissociation; excited states; ionisation; molecular dynamics method; potential energy functions; pseudopotential methods; Al; Coulomb explosion; Fermi surface; aluminum; charged particle; conduction electrons; crystalline lattice; electronic subsystem; excitation; interatomic interaction potentials; ionized states; metals; molecular dynamic simulation; pseudopotential approach; softening; thermal smearing; Atomic measurements; Electric potential; Ionization; Lattices; Metals; Sputtering; electronic subsystem; interatomic interaction; metal; pseudopotential;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
Strategic Technology (IFOST), 2012 7th International Forum on
Conference_Location :
Tomsk
Print_ISBN :
978-1-4673-1772-6
Type :
conf
DOI :
10.1109/IFOST.2012.6357793
Filename :
6357793
Link To Document :
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