نتایج جستجو برای: free energy

تعداد نتایج: 1130628  

2013
Antonio Gaudiello Rejeb Hadiji

In this paper, starting from the classical 3D micromagnetic energy, we determine, via an asymptotic analysis, the free energy of two joined ferromagnetic thin films. We distinguish different regimes depending on the limit of the ratio between the small thicknesses of the two films.

2004
YUKIKO KONISHI

We show that the free energy of the topological string admits a certain pole structure by using the operator formalism. Combined with the results of Peng that proved the integrality, this gives a combinatoric proof of the Gopakumar–Vafa conjecture.

2004
THIERRY BODINEAU

In this note we consider the (de)localization transition for random directed (1 + 1)–dimensional copolymers in the proximity of an interface separating selective solvents. We derive a rigorous lower bound on the free energy. This yields a substantial improvement on the bounds from below on the critical line that were known so far. Our result implies that the critical curve does not lie below th...

2001
David Andelman

We investigate the ordered morphologies occurring in thin-films diblock copolymer. For temperatures above the order-disorder transition and for an arbitrary two-dimensional surface pattern, we use a Ginzburg-Landau expansion of the free energy to obtain a linear response description of the copolymer melt. The ordering in the directions perpendicular and parallel to the surface are coupled. Thre...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه لرستان - دانشکده علوم پایه 1389

abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...

Journal: :journal of physical and theoretical chemistry 0
avat (arman) taherpour - leila fathiyan -

the binding, release and oxidation of oxygen occur at the heme group iron ion. hemoglobinoxidation-reduction studies have been previously performed using spectroelectrochemistry (sec) andhave provided insight into the hemoglobin electron transfer process and more specifically, into theheme group electronic factor and subunit interaction influences. in this study, the number of fullerenecarbon a...

Journal: :journal of physical & theoretical chemistry 2012
s. ketabi s. m. hashemianzadeh

this study is about complexes of li doped silicon carbide nanotube with thymine and cytosine ingas phase and aqueous solutions. li doped silicon carbide nanotube and its pyrimidine nucleobasecompounds were first modeled by quantum mechanical calculations in gas phase and in water.calculated binding energies indicated the stronger ability of thymine to functionalize silicon carbidenanotube than ...

2010
Z. Chen S. Kowalski M. Huang R. Wada T. Keutgen K. Hagel J. Wang L. Qin J. B. Natowitz T. Materna A. Bonasera P. K. Sahu

The ratio of symmetry energy coefficient relative to the temperature, asym/T , has been extracted as a function of Z from the variance of the observed isotope distributions from the experiments described in Ref.[1]. In order to explore the relation between the symmetry energy term in the free energy and the variance of the isotope distribution, Ono et al. introduced a generalized function K(N,Z...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده علوم 1391

in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...

2017
Jacques Prost

2014 We investigate properties of the Meyer-Lubensky free energy introduced in the description of the nematic to smectic A phase transition, and show that a new transition from a smectic A to another smectic A is possible for some values of the parameters used in the theory. The recent observations by G. Sigaud et al. may be interpreted within this context. LE JOURNAL DE PHYSIQUE TOME 40, JUIN ...

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