نتایج جستجو برای: free energy activation

تعداد نتایج: 1525654  

2000
U. Tartaglino D. Passerone E. Tosatti

We present a calculation of the change of free energy of a solid surface upon bending of the solid. It is based on extracting the surface stress through a molecular dynamics simulation of a bent slab by using a generalized stress theorem formula, and subsequent integration of the stress with respect to strain as a function of

1998
A. Fotopoulos T. R. Taylor

The strong coupling behavior of finite temperature free energy in N = 4 supersym-metric SU (N) Yang-Mills theory has been recently discussed by Gubser, Klebanov and Tseytlin in the context of AdS-SYM correspondence. In this note, we focus on the weak coupling behavior. As a result of a two-loop computation we obtain, in the large N 't Hooft limit, F (g 2 N → 0) ≈ − π 2 6 N 2 V 3 T 4 (1 − 3 2π 2...

2004
Tohru MORITA

A new method is proposed which enables one to convert the formulae for a uniform multi-component system to those for a non-uniform one. As an application of the method, the expansion formulae of. the free energy, potentials of average force and distribution functions for a non-uniform multi-component system are derived in a simple and systematic way. The formulae are obtained both for a continu...

Journal: :Journal AWWA 2019

1998
Michiel Sprik

Reaction coordinates for chemical reactions in solution are often of a collective nature involving solvent degrees of freedom. A recent generalization of the blue-moon ensemble technique has enabled us to determine the free energy required to change these variables, using them as constraints in a molecular dynamics simulation. We discuss a Ðrst application to the free energy of coordination Ñuc...

2015
Richard Jordan David Kinderlehrer Felix Otto

We establish a new and intriguing connection between the FokkerPlanck equation with gradient drift term and an associated free energy functional. Namely, we demonstrate that such a Fokker-Planck equation may be interpreted as a gradient flux, or a steepest descent, of a free energy functional with respect to a certain metric. This is accomplished through the construction of a time-discrete iter...

1997
D. V. ANTONOV

The one-loop free energy of the four-dimensional compact QED, which is known to be equivalent to the vector Sine-Gordon model, is calculated in the strong coupling regime. In the case, when the norm of the strength tensor of the saddle-point value of the corresponding Sine-Gordon model is much larger than the typical inverse area of a loop in the gas of the monopole rings, the obtained free ene...

2000
B. P. Pandey G. S. Lakhina

The energetics of driven magnetic reconnections induced by the deformation of the magnetopause boundary due to the solar wind-magnetosphere interaction are studied. The bursty type reconnection ensues due to the forcing of the magnetopause boundary by the solar wind. For typical plasma parameters in the inner central plasma sheet (ICPS), the magnetic energy release during the reconnection is es...

2010
N.Sh. Izmailian

The Ising model in two dimensions with the special boundary conditions of Brascamp and Kunz (BK) is analyzed. We derive exact finite-size corrections for the free energy F of the critical ferromagnetic Ising model on the M ×N square lattice with Brascamp–Kunz boundary conditions [H.J. Brascamp, H. Kunz, J. Math. Phys. 15 (1974) 66]. We show that finite-size corrections strongly depend not only ...

2000
J. S. Høye I. Brevik

The Casimir free energy for a system of two dielectric concentric nonmagnetic spherical bodies is calculated with use of a quantum statistical mechanical method, at arbitrary temperature. By means of this rather novel method, which turns out to be quite powerful (we have shown this to be true in other situations also), we consider first an explicit evaluation of the free energy for the static c...

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