We solve the problem of a Bose or Fermi gas in d-dimensions trapped by δ ≤ d mutually perpendicular harmonic oscillator potentials. From the grand potential we derive their thermodynamic functions (internal energy, specific heat, etc.) as well as a generalized density of states. The Bose gas exhibits Bose-Einstein condensation at a nonzero critical temperature Tc if and only if d+ δ > 2, and a ...

3-Phenylamino-4-phenyl-1,2,4-triazole-5-thione was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional theory calculations of the structure, natural bond orbitals, atomic charge distributions and thermodynamic functions of the title compound were performed at B3LYP/ 6-311G** and PBE1PBE/6-311G**levels of theory, respectively. NPA atom...

We study the thermostatistics of q-deformed bosons and fermions obeying the symmetric (q<-->q(-1)) algebra and show that it can be built on the formalism of q calculus. The entire structure of thermodynamics is preserved if ordinary derivatives are replaced by an appropriate Jackson derivative. In this framework, we derive the most important thermodynamic functions describing the q-boson and q-...

In this paper we give non-trivial applications of the thermodynamic formalism to the theory of distribution functions of Gibbs measures (devil’s staircases) supported on limit sets of finitely generated conformal iterated function systems in R. For a large class of these Gibbs states we determine the Hausdorff dimension of the set of points at which the distribution function of these measures i...

An algebraic model based on Lie-algebraic and discrete symmetry techniques is applied to the analysis of thermodynamic vibrational properties of molecules. The local anharmonic effects are described by a Morse-like potential and the corresponding anharmonic bosons are associated with the SU(2) algebra. A vibrational high-temperature partition function and the related thermodynamic functions are...

The thermodynamics and kinetics of the bulk metallic glass forming Mg65Cu25Y10 liquid were investigated using differential scanning calorimetry and three-point beam bending. The experiments lead to the determination of the thermodynamic functions as well as the viscosity of the supercooled liquid. The viscosity shows a temperature dependence, which is consistent with that of a strong glass simi...

We present a systematic study of the thermodynamic properties of a polydisperse fluid mixture. The size of the particles, σ , is assumed to be distributed according to a continuous distribution function fΣ(σ) , for which we have chosen a Γ -distribution. The interatomic potentials are given by a hard core repulsion plus an adjacent attractive tail in the form of a squarewell or a Yukawa potenti...

This work analyzes the emergence of log-periodic oscillations in thermodynamic functions of Ising models on hierarchical lattices. Several situations, where the exchange interactions are periodic or aperiodic, are taken into account. High precision values for the thermodynamic functions are numerically obtained with the method of transfer matrices. Fitting the curves close to the critical tempe...

form f, =A, ~ (r'( I +a, ( r( ), where r =(T —T, )/T, . The correction-to-scaling amplitudes a, are calculated to leading order in 1/n for 2 ( d (4, and the universality of' their ratios is explicitly shown. The effective exponents it, «r — X, —a, A~r~a violate the thermodynamic scaling laws already at this leading order. The amplitudes a, have singularities (as functions of d) at the dimension...

A novel numerical method for determining the conformational structure of macromolecules is applied to idealized biomacromolecules in solution. The method computes effective inter-residue interaction potentials solely from the corresponding radial distribution functions, such as would be obtained from experimental data. The interaction potentials generate conformational ensembles that reproduce ...