scholarly journals Crystallization of hard spheres revisited. II. Thermodynamic modeling, nucleation work, and the surface of tension

2018 ◽  
Vol 148 (22) ◽  
pp. 224102 ◽  
Author(s):  
David Richard ◽  
Thomas Speck
Keyword(s):  
Thermodynamic Modeling ◽  
Hard Spheres ◽  
Surface Of Tension ◽  
Nucleation Work

The influence of third-order interactions on the density profile of associating hard spheres

1997 ◽  
Vol 91 (4) ◽  
pp. 761-767 ◽  
Author(s):  
D. HENDERSON ◽  
S. SOKOŁOWSKI ◽  
R. ZAGORSKI ◽  
A. TROKHYMCHUK
Keyword(s):  
Density Profile ◽  
Hard Spheres ◽  
Third Order

Glass transition for dipolar hard spheres: a mode-coupling approach

1998 ◽  
Vol 77 (2) ◽  
pp. 305-311 ◽  
Author(s):  
Thomas Scheidsteger, Rolf Schilling
Keyword(s):  
Glass Transition ◽  
Mode Coupling ◽  
Hard Spheres ◽  
Coupling Approach

Quantum effects in a system of Boltzmann hard spheres

2018 ◽  
Vol 189 (06) ◽  
pp. 659-664
Author(s):  
Sergei M. Stishov
Keyword(s):  
Hard Spheres ◽  
Quantum Effects

Thermodynamic Modeling of the Formation of Chromium Carbides in an Applied Metal Layer

2020 ◽  
Vol 40 (10) ◽  
pp. 843-847
Author(s):  
N. P. Aleshin ◽  
N. V. Kobernik ◽  
A. S. Pankratov ◽  
V. V. Petrova
Keyword(s):  
Thermodynamic Modeling ◽  
Metal Layer ◽  
Chromium Carbides

Quantum-chemical analysis of small silver clusters

1987 ◽  
Vol 52 (7) ◽  
pp. 1652-1657 ◽  
Author(s):  
Grigorii V. Gadiyak ◽  
Yurii N. Morokov ◽  
Mojmír Tomášek
Keyword(s):  
Hard Spheres ◽  
Electronic Configuration ◽  
Close Packing ◽  
Basis Sets ◽  
Silver Clusters ◽  
Quantum Chemical Analysis ◽  
Spin Distribution ◽  
Spin Polarized ◽  
Atomic Silver ◽  
Equilibrium Geometries

Total energy calculations of three- and four-atomic silver clusters have been performed by the spin-polarized version of the CNDO/2 method to get the most stable equilibrium geometries, atomization energies, and charge and spin distribution on the atoms for three different basis sets: {s}, {sp}, and {spd}. When viewed from the equilateral triangle and square geometries, the last electronic configuration, i.e. the {spd} one, appears to be most stable with respect to the geometrical deformations considered. In this case, the behaviour of the atoms of both clusters resembles that of hard spheres (i.e. close-packing).

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