Related papers: Two-step melting of Na41+

Structural and superfluid properties of para-Hydrogen clusters of size up to N=40 molecules, are studied at low temperature (0.5 K < T < 4 K) by Path Integral Monte Carlo simulations. The superfluid fraction displays an interesting,…

The thermoelectric properties in one- and two-dimensional silicon and germanium structures have been investigated using first-principle density functional techniques and linear response for the thermal and electrical transport. We have…

We investigate whether an interpretation of water's thermodynamics [Science, 319, 582 (2008)] by using analogy with the binary metal alloys lambda-type ordering transition or buckminsterfullerene's orientational-ordering transition has…

In a finite temperature Thomas-Fermi theory with realistic nuclear interactions, we construct caloric curves for finite nuclei enclosed in a sphere of about $4 - 8$ times the normal nuclear volume. The specific heat capacity $C_v$ shows a…

Single Crystals of Nd$_{1-x}$Ca$_{1+x}$MnO$_{4}$ have been prepared by the traveling floating-zone method, and possible evidence of a charge -orbital density wave in this material presented earlier [PRB68,092405 (2003)] using High…

Monte Carlo methods were used to calculate heat capacities as functions of temperature for classical atomic clusters of aggregate sizes $25 \leq N \leq 60$ that were bound by pairwise Lennard-Jones potentials. The parallel tempering method…

Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nano-clusters $C_{N}$ with N=2-55. The minimum energy configurations for…

Ab initio molecular dynamics is used to study deformations of sodium clusters at temperatures $500\cdots 1100$ K. Open-shell Na$_{14}$ cluster has two shape isomers, prolate and oblate, in the liquid state. The deformation is stabilized by…

The magnetic and magnetocaloric properties of the mixed spin-(1/2,1) Ising-Heisenberg model on a two-leg ladder with dimer-rung alternation are exactly examined under an adiabatic demagnetization process using the transfer-matrix formalism.…

$\alpha$ cluster structure in nuclei has been long understood based on the geometrical configuration picture. By using the spatially localized Brink $\alpha$ cluster model in the generator coordinate method, it is shown that the $\alpha$…

We study the simplest possible model of nanocrystal consisting in a simple cubic lattice with a small number of atoms (NA ~ 10-10^3), where each atom is linked to its nearest neighbor by a quantum harmonic potential. Some properties…

Properties of nanoparticles have been studied within the framework of Ising model and the method of random-field interactions: the average magnetic moment and position of critical points of the magnetic and the concentration phase…

Simulations are reported to investigate solid superheating and liquid supercooling of two-dimensional (2D) systems with a Yukawa interparticle potential. Motivated by experiments where a dusty plasma is heated and then cooled suddenly, we…

We have carried out extensive density functional calculations for series of sodium clusters $Na$$_{N}$ ranging from $N$=10 to 147 and have obtained $\approx$ 13000 distinct isomers. We unravel a number of striking features of the growth…

Specific heat measurements from 2 to 300 K of hydrogenated amorphous silicon prepared by hot-wire chemical vapor deposition show a large excess specific heat at low temperature, significantly larger than the Debye specific heat calculated…

Despite the exceptionally high relative sensitivities achieved by luminescent thermometers based on first-order structural phase transitions, their principal limitation lies in the inherently narrow thermal operating range associated with…

A differential, membrane-based nanocalorimeter for general specific heat studies of very small samples, ranging from 0.5 mg to sub-{\mu}g in mass, is described. The calorimeter operates over the temperature range from above room temperature…

Detailed studies of the thermodynamic properties of selected binary Lennard-Jones clusters of the type X_{13-n}Y_n (where n=1,2,3) are presented. The total energy, heat capacity and first derivative of the heat capacity as a function of…

As an extension to our earlier work \cite{Mirza2}, we employ the Nambu brackets to prove that the divergences of heat capacities correspond to their counterparts in thermodynamic geometry. We also obtain a simple representation for the…

Specific heat studies of the Sr$_{1-x}$Ba$_x$Mn$_{1-y}$Ti$_y$O$_3$ polycrystalline samples performed by the relaxation and DSC methods over the temperature range 2 - 450 K are reported. Anomalies accompanying the…