scholarly journals COMBINED APPLICATION OF ATOMISTIC AND THERMODYNAMIC SIMULATIONS TO INVESTIGATION OF SIZE DEPENDENCE OF THE MELTING TEMPERATURE OF METAL NANOPARTICLES

2017 ◽  
pp. 411-421 ◽  
Author(s):  
V.M. Samsonov ◽  
◽  
I.V. Talyzin ◽  
S.A. Vasilyev ◽  
A.Yu Kartoshkin ◽  
...  
Keyword(s):  
Metal Nanoparticles ◽  
Melting Temperature ◽  
Size Dependence ◽  
Combined Application ◽  
Thermodynamic Simulations

Size dependence of the entropies of melting and crystallisation of metal nanoparticles

2018 ◽  
Vol 153 ◽  
pp. 153-158 ◽  
Author(s):  
N.Yu. Sdobnyakov ◽  
A.D. Veselov ◽  
P.M. Ershov ◽  
D.N. Sokolov ◽  
V.M. Samsonov ◽  
...  
Keyword(s):  
Metal Nanoparticles ◽  
Size Dependence

Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value

Nano Letters ◽  
2012 ◽  
Vol 12 (4) ◽  
pp. 2134-2139 ◽  
Author(s):  
Ilya V. Yudanov ◽  
Alexander Genest ◽  
Swetlana Schauermann ◽  
Hans-Joachim Freund ◽  
Notker Rösch
Keyword(s):  
Metal Nanoparticles ◽  
Adsorption Energy ◽  
Size Dependence ◽  
Minimum Value

Thermodynamic model of crystallization and melting of small particles

Open Physics ◽  
2004 ◽  
Vol 2 (1) ◽  
Author(s):  
Vladimir Samsonov ◽  
Oleg Malkov
Keyword(s):  
Melting Temperature ◽  
Thermodynamic Model ◽  
Size Dependence ◽  
Nonequilibrium Thermodynamics ◽  
Spherical Particles ◽  
Small Particles ◽  
Crystal Nucleus

AbstractThe size dependence of the nanocrystal melting temperature has been investigated based on a nonequilibrium thermodynamics approach. An expression has been derived for the melting temperature that, contrary to the classical Tomson formula, takes into account the metastable character of the crystal nucleus-melt shell equilibrium. Quantitative estimations have been carried out for small spherical particles of aluminum, tin, and lead.

Molecular dynamics and thermodynamic simulations of segregation phenomena in binary metal nanoparticles

2018 ◽  
Vol 133 (2) ◽  
pp. 1207-1217 ◽  
Author(s):  
V. M. Samsonov ◽  
A. G. Bembel ◽  
A. Yu. Kartoshkin ◽  
S. A. Vasilyev ◽  
I. V. Talyzin
Keyword(s):  
Molecular Dynamics ◽  
Metal Nanoparticles ◽  
Binary Metal ◽  
Thermodynamic Simulations

Size dependence of spherical metal nanoparticles on absorption enhancements of plasmonic organic solar cells

2015 ◽  
Vol 199 ◽  
pp. 174-178 ◽  
Author(s):  
Inho Kim ◽  
Kyu-Sung Lee ◽  
Taek-Sung Lee ◽  
Doo Seok Jung ◽  
Wook-Seong Lee ◽  
...  
Keyword(s):  
Solar Cells ◽  
Metal Nanoparticles ◽  
Organic Solar Cells ◽  
Size Dependence ◽  
Spherical Metal Nanoparticles
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