scholarly journals Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond

2020 ◽  
Vol 102 (10) ◽  
Author(s):  
Thomas D. Swinburne ◽  
Jan Janssen ◽  
Mira Todorova ◽  
Gideon Simpson ◽  
Petr Plechac ◽  
...  
Keyword(s):  
Free Energy ◽  
Mean Field ◽  
Lattice Vibrations

Characterization of Textured Aluminum Lines and Modelling of Stress Voiding

1994 ◽  
Vol 343 ◽  
Author(s):  
S.C. Wardle ◽  
B.L. Adams ◽  
C.S. Nichols ◽  
D.A. Smith
Keyword(s):  
Free Energy ◽  
Excess Free Energy ◽  
Mean Field ◽  
High Energy ◽  
Polycrystalline Structure ◽  
Field Approach ◽  
Bamboo Structure ◽  
Automated Technique ◽  
Theory And Modeling

ABSTRACTIt is well known from studies of individual interfaces that grain boundaries exhibit a spectrum of properties because their structure is misorientation dependent. Usually this variability is neglected and properties are modeled using a mean field approach. The limitations inherent in this approach can be overcome, in principle, using a combination of experimental techniques, theory and modeling. The bamboo structure of an interconnect is a particularly simple polycrystalline structure that can now be readily characterized experimentally and modeled in the computer. The grain misorientations in a [111] textured aluminum line have been measured using the new automated technique of orientational imaging microscopy. By relating boundary angle to diffusivity the expected stress voiding failure processes can be predicted through the link between misorientation angle, grain boundary excess free energy and diffusivity. Consequently it can be shown that the high energy boundaries are the favored failure sites thermodynamically and kinetically.

scholarly journals The Possibility of Many Compensation Points in a Mixed-Spin Ising Ferrimagnetic System

2013 ◽  
Vol 2013 ◽  
pp. 1-6
Author(s):  
Hadey K. Mohamad
Keyword(s):  
Free Energy ◽  
Mean Field ◽  
Field Approximation ◽  
Spin Model ◽  
Mean Field Approximation ◽  
Zero Field ◽  
Mixed Spin ◽  
Simple Cubic ◽  
Simple Cubic Lattice ◽  
The Mean

The magnetic properties of a ferrimagnetic mixed spin-3/2 and spin-5/2 Ising model with different anisotropies are investigated by using the mean-field approximation (MFA). In particular, the effect of magnetic anisotropies on the compensation phenomenon, acting on A-atoms and B-ones for the mixed-spin model, has been considered in a zero field. The free energy of a mixed-spin Ising ferrimagnetic system from MFA of the Hamiltonian is calculated. By minimizing the free energy, we obtain the equilibrium magnetizations and the compensation points. The phase diagram of the system in the anisotropy dependence of transition temperature has been discussed as well. Our results of this model predict the existence of many (two or three) compensation points in the ordered system on a simple cubic lattice.

scholarly journals FREE ENERGY IN THE GENERALIZED SHERRINGTON–KIRKPATRICK MEAN FIELD MODEL

2005 ◽  
Vol 17 (07) ◽  
pp. 793-857 ◽  
Author(s):  
DMITRY PANCHENKO
Keyword(s):  
Free Energy ◽  
Real Line ◽  
Prior Distribution ◽  
Field Model ◽  
Mean Field ◽  
Rigorous Proof ◽  
Bounded Subset ◽  
Mean Field Model ◽  
The Real ◽  
Parisi Formula

In [11], Talagrand gave a rigorous proof of the Parisi formula in the classical Sherrington–Kirkpatrick (SK) model. In this paper, we build upon the methodology developed in [11] and extend Talagrand's result to the class of SK type models in which the spins have arbitrary prior distribution on a bounded subset of the real line.

A Mean-Field Pressure Formulation for Liquid-Vapor Flows

2006 ◽  
Vol 129 (7) ◽  
pp. 894-901 ◽  
Author(s):  
Shi-Ming Li ◽  
Danesh K. Tafti
Keyword(s):  
Free Energy ◽  
Mean Field ◽  
Capillary Waves ◽  
Wave Number ◽  
Density Profiles ◽  
Pressure Formulation ◽  
Boltzmann Method ◽  
Relationship Of ◽  
The Relationship ◽  
Liquid Vapor

A nonlocal pressure equation is derived from mean-field free energy theory for calculating liquid-vapor systems. The proposed equation is validated analytically by showing that it reduces to van der Waals’ square-gradient approximation under the assumption of slow density variations. The proposed nonlocal pressure is implemented in the mean-field free energy lattice Boltzmann method (LBM). The LBM is applied to simulate equilibrium liquid-vapor interface properties and interface dynamics of capillary waves and oscillating droplets in vapor. Computed results are validated with Maxwell constructions of liquid-vapor coexistence densities, theoretical relationship of variation of surface tension with temperature, theoretical planar interface density profiles, Laplace’s law of capillarity, dispersion relationship between frequency and wave number of capillary waves, and the relationship between radius and the oscillating frequency of droplets in vapor. It is shown that the nonlocal pressure formulation gives excellent agreement with theory.

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