The activation energy of single vacancy formation in platinum

1979 ◽  
Vol 29 (11) ◽  
pp. 1243-1259 ◽  
Author(s):  
K. Míšek
Keyword(s):  
Activation Energy ◽  
Vacancy Formation ◽  
Single Vacancy

scholarly journals Study of the surface relaxation and single vacancy formation in very thin Cu (001) film by using MAEAM

Open Physics ◽  
2014 ◽  
Vol 12 (8) ◽  
Author(s):  
Yan-Ni Wen
Keyword(s):  
Surface Energy ◽  
Md Simulation ◽  
Vacancy Formation ◽  
Surface Relaxation ◽  
Single Vacancy

AbstractThe surface relaxation and the formation of a single vacancy in very thin Cu (001) film formed by 2 ∼ 14 atomic layers have been studied by using MAEAM and MD simulation. For the surface relaxtion, the highest surface energy is in the l = 2 atomic layers. The multilayer relaxation mainly occurs between the first two atomic layers, and the maximum contractive displacement is obtained in the very thin Cu (001) film formed by l = 3 atomic layers. For the vacancy formed in l′ = 1 of the very thin Cu (001) film formed by l = 2 ∼ 14 layers, the most difficult site in the film formed by l = 3 atomic layers.

Effect of Fe Alloying on the Vacancy Formation in Ni3Al

2004 ◽  
Vol 842 ◽  
Author(s):  
E. Partyka ◽  
R. Kozubski ◽  
W. Sprengel ◽  
H.-E. Schaefer
Keyword(s):  
Activation Energy ◽  
High Temperature ◽  
Indirect Method ◽  
Positron Lifetime ◽  
Vacancy Formation ◽  
Positron Lifetime Spectroscopy

ABSTRACTThe influence of Fe alloying on the formation of thermal vacancies in Ni75Al25-xFex has been specifically studied by high-temperature, positron lifetime spectroscopy (PLS). The results are consistent with a previously reported decrease of the activation energy for the vacancy formation upon alloying of Ni75Al25 with Fe derived from residual isochronal resistometry (REST): an indirect method for vacancy studies.

Atomic Diffusion in the (001) Surface of Cu3Ag Ordered Alloy

2013 ◽  
Vol 680 ◽  
pp. 3-7
Author(s):  
Yan Ni Wen
Keyword(s):  
Molecular Dynamics ◽  
Surface Effects ◽  
Vacancy Formation ◽  
Atomic Diffusion ◽  
Embedded Atom Method ◽  
Single Vacancy ◽  
Embedded Atom ◽  
And Migration ◽  
Aggregation Tendency

Both the formation and migration energies of a single vacancy migrating intra- and inter-layer of the CuAg-terminated (001) surface or Cu-terminated (001) surface for Cu3Ag ordered alloy have been calculated by using the modified analytical embedded-atom method (MAEAM) with the molecular dynamics (MD) method. The surface effects on the vacancy formation and migration are all down to 6L for the CuAg-terminated (001) surface, but is respectively down to 5L and 6L for the Cu-terminated (001) surface. The vacancy energetically formed in the 1L. There is a vacancy aggregation tendency in the 1L as well as in the bulk the Cu vacancy is easier to be formed than the Ag vacancy.

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