Ordering energy and effective pair interaction in ordering alloys of noble metals

1974 ◽  
Vol 17 (6) ◽  
pp. 772-774
Author(s):  
V. M. Dement'ev ◽  
�. V. Kozlov
Keyword(s):  
Noble Metals ◽  
Pair Interaction ◽  
Effective Pair

Order and Disorder in Ni-Pt Single Crystals

2011 ◽  
Vol 172-174 ◽  
pp. 593-601 ◽  
Author(s):  
Bernd Schönfeld ◽  
Markus Engelke ◽  
Andrei V. Ruban
Keyword(s):  
Monte Carlo ◽  
Single Crystals ◽  
Nearest Neighbor ◽  
Intermetallic Phase ◽  
Pair Interaction ◽  
Range Order ◽  
Large Contribution ◽  
Local Maxima ◽  
Order And Disorder ◽  
Effective Pair

Single crystals of Ni-25.6 at.% Pt and Ni-87.8 at.% Pt were investigated by diffuse x-ray scattering for states of thermal equilibrium (923 K and 603 K, respectively). The separated short-range order scattering showed local maxima at 100 positions. Effective pair interaction parameters, as determined by the inverse Monte Carlo method, show a strong composition dependence of the nearest-neighbor interaction parameter. First-principles calculations are consistent with this finding and reveal a large contribution due to lattice strain. Based on values of the ordering energy, NiPt3with L12structure was considered as a plausible new intermetallic phase, with Monte Carlo simulations giving an order-disorder transition temperature of 650 K. A single crystal of Ni-75.2 at.% Pt, quenched from 1073 K and aged at 613 K, showed L12-type ordering, reaching a long-range order parameter of 0.50(4) after 800 h.

Short-range order structure and effective pair-interaction energy in Ni–Si alloys

2007 ◽  
Vol 55 (16) ◽  
pp. 5382-5388 ◽  
Author(s):  
Takumi Hasegawa ◽  
Keiichi Osaka ◽  
Toshihiko Takama ◽  
Haydn Chen
Keyword(s):  
Interaction Energy ◽  
Short Range ◽  
Short Range Order ◽  
Pair Interaction ◽  
Range Order ◽  
Order Structure ◽  
Pair Interaction Energy ◽  
Effective Pair

Electrostatic interactions in concentrated colloidal dispersions

2017 ◽  
Vol 19 (35) ◽  
pp. 23849-23853 ◽  
Author(s):  
Håkan Wennerström
Keyword(s):  
Explicit Expression ◽  
Electrostatic Interactions ◽  
Pair Interaction ◽  
Colloidal Dispersions ◽  
High Concentration ◽  
Colloidal Spheres ◽  
Effective Pair

An explicit expression, free from adjustable parameters, is derived for the effective pair interaction between charged colloidal spheres at high concentration in a medium containing an electrolyte.

Structure and effective pair interaction in liquid nickel

1976 ◽  
Vol 33 (1) ◽  
pp. 203-206 ◽  
Author(s):  
M. W. Johnson ◽  
N. H. March ◽  
B. McCoy ◽  
S. K. Mitra ◽  
D. I. Page ◽  
...  
Keyword(s):  
Pair Interaction ◽  
Liquid Nickel ◽  
Effective Pair

scholarly journals Effective Pair Interactions and Structure in Liquid Noble Metals within Wills-Harrison and Bretonnet-Silbert Models

Metals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1115
Author(s):  
Nikolay Dubinin ◽  
Roman Ryltsev
Keyword(s):  
Correlation Functions ◽  
Noble Metals ◽  
Liquid Metals ◽  
Pair Correlation ◽  
Pure Liquid ◽  
Pair Correlation Functions ◽  
Pair Potentials ◽  
Velocity Autocorrelation ◽  
Effective Pair ◽  
Pair Interactions

Recently, for calculating the effective pair interactions in liquid transition metals, we have developed an approach which includes the Wills-Harrison and Bretonnet-Silbert models as limit cases. Here, we apply this approach to noble liquid metals. The dependencies of pair potentials and corresponding MD-simulated pair correlation functions in pure liquid Cu, Ag and Au on the portion of the non-diagonal (with respect to the magnet quantum number) d-d-electron couplings in the metal under consideration are studied. The model provides a good agreement with experimental and ab initio data for pair correlation functions, structure factors and velocity autocorrelation functions.

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