A Non-Equilibrium Statistical Thermodynamic Description of Thermo-Viscoelastoplastic Behaviour for a Single Crystal with Dislocations

1995 ◽  
Vol 20 (2) ◽  
Author(s):  
M. Lu ◽  
C. H. Lee
Keyword(s):  
Single Crystal ◽  
Thermodynamic Description ◽  
Statistical Thermodynamic ◽  
Non Equilibrium

scholarly journals Non-equilibrium anisotropic colloidal single crystal growth with DNA

2018 ◽  
Vol 9 (1) ◽  
Author(s):  
Soyoung E. Seo ◽  
Martin Girard ◽  
Monica Olvera de la Cruz ◽  
Chad A. Mirkin
Keyword(s):  
Crystal Growth ◽  
Single Crystal ◽  
Single Crystal Growth ◽  
Non Equilibrium

Thermodynamics of Defect Formation and Hydration of Y2O3

2012 ◽  
Vol 326-328 ◽  
pp. 126-131 ◽  
Author(s):  
L.P. Putilov ◽  
V.I. Tsidilkovski ◽  
A.N. Varaksin ◽  
Anatoly Yakovlevich Fishman
Keyword(s):  
Electronic Structure ◽  
Gas Phase ◽  
Defect Formation ◽  
Thermodynamic Description ◽  
Statistical Thermodynamic ◽  
Wide Range ◽  
F Center ◽  
Mechanical Approach ◽  
Quantum Mechanical Approach ◽  
F Centers

Defect formation in yttria with a small content of acceptor impurities in equilibrium with a hydrogen-containing gas phase is studied theoretically. A statistical-thermodynamic description of the yttriagas equilibrium is based on the approach developed for compounds with a complex electronic structure [Phys. Stat. Sol. B (1991) Vol. 168, p. 233]. The considered model of electronic structure for Y2O3 includes, besides valence and conduction bands, acceptor and F-center states. The energy of F-centers was calculated in the framework of the variational quantum-mechanical approach combined with the molecular statics method. It is shown that acceptor states appreciably affect the thermodynamics of defect formation, while the F-centers contribution in a wide range of external parameters is small. The concentrations of defects (protons, oxygen vacancies, electronic defects) and the Fermi level position are determined as functions of temperature and gas phase parameters.

scholarly journals Thermodynamic Formulations of Excess and Absolute Values of Adsorption on Solid Surfaces: A Comparison of One- and Two-Phase Approaches

1986 ◽  
Vol 3 (4) ◽  
pp. 271-291 ◽  
Author(s):  
H. Wittkopf ◽  
P. Bräuer
Keyword(s):  
High Pressures ◽  
Thermodynamic Description ◽  
Solid Surfaces ◽  
Statistical Thermodynamic ◽  
Two Phase ◽  
Phase Approach ◽  
Adsorption Analysis ◽  
Basic Concepts ◽  
The Difference ◽  
The One

The generally used methods of thermodynamic adsorption analysis are summarized in two basic concepts: the two-phase approach (which is an adequate picture of volume phase thermodynamics in adsorption) and the one-phase approach (which uses excess values for the thermodynamic description of adsorption). Differential and integral molar values of adsorption Δ a X̄ and Δ a X in the two-phase approach are not identical with the corresponding excess values Δ a X̄s and Δ a Xs in the one-phase approach. Especially at high temperatures and high pressures they may be entirely different. It is shown that the experimental methods most usually in adsorption thermodynamics (as adsorption volumetry and gravimetry) give excess data which are to be used in the one-phase approach but which can be transformed to the two-phase approach. Using statistical thermodynamic calculations the difference between these basic concepts is shown over a wide temperature range for the first virial coefficient, the internal energy and the heat capacity of adsorption.

Statistical thermodynamic description of H2 molecules in normal ortho/para mixture

2012 ◽  
Vol 37 (12) ◽  
pp. 9656-9668 ◽  
Author(s):  
Gianpiero Colonna ◽  
Antonio D'Angola ◽  
Mario Capitelli
Keyword(s):  
Thermodynamic Description ◽  
Statistical Thermodynamic
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