Showing 1 - 10 of 56
The statistical proprieties of complex systems can differ deeply for those of classical systems governed by Boltzmann–Gibbs entropy. In particular, the probability distribution function observed in several complex systems shows a power-law behavior in the tail which disagrees with the standard...
Persistent link: https://www.econbiz.de/10010872225
Wuttig and Suzuki's model on anelastic nonlinearities in solids in the vicinity of martensite transformations is analysed numerically. This model shows chaos even in the absence of applied forcing field as a function of a temperature dependent parameter. Even though the model exhibits sustained...
Persistent link: https://www.econbiz.de/10010873369
Coating carbon nanotubes (CNTs) with peptides can solubilize the nanotubes in water solvent. To explore the utilization of CNTs in solvent and the affinities of CNTs for different peptides, binding free energies of peptides to single-walled carbon nanotubes (SWCNTs) are calculated and analyzed....
Persistent link: https://www.econbiz.de/10010874069
We discuss a sampling algorithm which generates flat histogram in energy. In combination with transition matrix Monte Carlo, the density of states and derived quantities such as entropy and free energy as a function of temperature can be computed in a single simulation.
Persistent link: https://www.econbiz.de/10010874769
The expression of the free energy density of a classical crystalline system as a gradient expansion in terms of a set of order parameters is developed using classical density functional theory. The goal here is to extend and complete an earlier derivation by Löwen et al. [Europhys. Lett. 9...
Persistent link: https://www.econbiz.de/10011057478
The stability of the DNA duplex depends on its sequence rather than on its composition (the relative proportions of the four nucleotides or bases A,C,G and T). This fact was recognized since the eighties by several authors. They calculated the duplex relative stability and temperature-dependent...
Persistent link: https://www.econbiz.de/10011058355
The Feynman–Kac theorem and Bogolyubov inequality are applied to obtain a lower bound and an upper bound to the free energy of the s–d Hamiltonian with locally smeared interactions between electrons and impurities. The two bounds, which express in terms of the free energy of impurities in a...
Persistent link: https://www.econbiz.de/10011058932
A method for calculation of the free energy of dipolar hard spheres under the presence of an applied magnetic field is presented. The method is based on the virial expansion in terms of density as well as the dipolar coupling constant λ, and it uses diagram technique. The formulas and the...
Persistent link: https://www.econbiz.de/10011059994
We consider in this paper, a few important issues in non-equilibrium work fluctuations and their relations to equilibrium free energies. First we show that the Jarzynski identity can be viewed as a cumulant expansion of work. For a switching process which is nearly quasistatic the work...
Persistent link: https://www.econbiz.de/10011060358
The first- and second-order terms of a perturbation expansion of free-energy density of the s-d exchange Hamiltonian with random impurity positions, in the presence and absence of an external magnetic field B, are evaluated. The reduced s-d Hamiltonian Hr(B) is chosen for the Hamiltonian of the...
Persistent link: https://www.econbiz.de/10011060689