Thermodynamic Properties of Nonideal Gases. I. Free-Energy Minimization Method

1969 ◽  
Vol 186 (1) ◽  
pp. 210-225 ◽  
Author(s):  
H. C. Graboske ◽  
D. J. Harwood ◽  
F. J. Rogers
Keyword(s):  
Free Energy ◽  
Thermodynamic Properties ◽  
Energy Minimization ◽  
Minimization Method ◽  
Free Energy Minimization ◽  
Energy Minimization Method

Finite Temperature Quasicontinuum Methods

1998 ◽  
Vol 538 ◽  
Author(s):  
Vivek Shenoy ◽  
Vijay Shenoy ◽  
Rob Phillips
Keyword(s):  
Free Energy ◽  
Energy Minimization ◽  
Finite Temperature ◽  
Degrees Of Freedom ◽  
Elastic Moduli ◽  
Dislocation Core ◽  
Minimization Method ◽  
Free Energy Minimization ◽  
Minimization Technique ◽  
Frame Work

AbstractIn this paper we extend the quasi-continuum method to study equilibrium properties of defects at finite temperatures. We present a derivation of an effective energy function to perform Monte Carlo simulations in a mixed atomistic and continuum setting. It is shown that the free energy minimization technique can be easily incorporated into the quasi-continuum frame work, permitting a reduction of the full set of atomistic degrees of freedom even in the finite temperature setting. The validity of the proposed methods is demonstrated by computing the thermal expansion and the temperature dependence of the elastic moduli for Cu. We also employ the quasi-continuum free energy minimization method to study the finite temperarure structure of a dislocation core in Al.

Comments on the Antonow and interfacial interaction rules

1990 ◽  
Vol 55 (5) ◽  
pp. 1143-1148 ◽  
Author(s):  
Jan Kloubek
Keyword(s):  
Free Energy ◽  
Energy Minimization ◽  
Interfacial Interaction ◽  
Aliphatic Hydrocarbon ◽  
Theoretical Base ◽  
Water Interface ◽  
Free Energy Minimization ◽  
Interaction Rule

Results presented for the aliphatic hydrocarbon-water interface show that the recent hypothesis of the free energy minimization called interfacial interaction rule, which was suggested as a theoretical base of the Antonow rule, cannot be generally valid.

Extraction of the Coefficient of Thermal Expansion of Thin Films from Buckled Membranes

1998 ◽  
Vol 546 ◽  
Author(s):  
V. Ziebartl ◽  
O. Paul ◽  
H. Baltes
Keyword(s):  
Thin Films ◽  
Finite Element ◽  
Thermal Expansion ◽  
Silicon Nitride ◽  
Excellent Agreement ◽  
Energy Minimization ◽  
Coefficient Of Thermal Expansion ◽  
Temperature Dependent ◽  
Minimization Method ◽  
Energy Minimization Method

AbstractWe report a new method to measure the temperature-dependent coefficient of thermal expansion α(T) of thin films. The method exploits the temperature dependent buckling of clamped square plates. This buckling was investigated numerically using an energy minimization method and finite element simulations. Both approaches show excellent agreement even far away from simple critical buckling. The numerical results were used to extract Cα(T) = α0+α1(T−T0 ) of PECVD silicon nitride between 20° and 140°C with α0 = (1.803±0.006)×10−6°C−1, α1 = (7.5±0.5)×10−9 °C−2, and T0 = 25°C.

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