Related papers: Two-step melting of Na41+
We study the thermodynamics of the two-dimensional Hubbard model within the dynamical cluster approximation. We use continuous time quantum Monte Carlo as a cluster solver to avoid the systematic error which complicates the calculation of…
We present a molecular dynamics simulation study of the phase diagram and melting scenarios of two-dimensional Hertzian spheres with exponent 7/2. We have found multiple re-entrant melting of a single crystal with a triangular lattice in a…
The thermodynamical property of a small cluster including $M$ Hubbard dimers, each of which is described by the two-site Hubbard model, has been discussed within the nonextensive statistics (NES). We have calculated the temperature…
We report specific heat measurements down to 0.4 K on the layered oxide Na$_x$CoO$_2\cdot\it{y}$H$_2$O/D$_2$O with 0 $\le$ $\it{x}$ $\le$ 0.74 and $\it{y}$ = 0 and 1.4. For the nonhydrated system ($\it{y}$ = 0), the electronic specific heat…
We show that the effect of size dependence of the melting temperature of nanocrystals may be used to govern anomalies of thermodynamic properties of nanocrystals in the premelting range. For example, if temperature of nanocrystals is near…
We introduce a nanocalorimetric technique based on microsecond-pulsed heating (\mu s-PHnC) that enables high-sensitivity, quasi-isothermal heat capacity measurements on nanoscale samples. Such resolution is critical for exploring…
The heat capacity and isomer distributions of the 38 atom Lennard-Jones cluster have been calculated in the canonical ensemble using parallel tempering Monte Carlo methods. A distinct region of temperature is identified that corresponds to…
The melting-like transitions of Na8 and Na20 are investigated by ab initio constant energy molecular dynamics simulations, using a variant of the Car-Parrinello method which employs an explicit electronic kinetic energy functional of the…
Optical properties of core-shell-shell Au@SiO2@Au nanostructures and their solar energy harvesting applications are theoretically investigated using Mie theory and heat transfer equations. The theoretical analysis associated with…
This study explores the mixed convection of carbon nanotube (CNT)-water nanofluid within a square cavity containing heated cylinders under the influence of a magnetic field, focusing on three geometric configurations: a single heated…
Single crystals of NbGe$_{2}$ which crystallize in a noncentrosymmetric hexagonal structure with chirality are synthesized and their superconductivity is investigated. Type-I superconductivity is confirmed by dc magnetization, field-induced…
A two-dimensional crystal melts via the proliferation and unbinding of topological defects, yet quantitatively predicting the melting temperature $T_m$ in real systems is challenging. Here we resolve this discrepancy in quantum Hall…
The origin of predicted and observed anomalies in caloric curves of nuclei and other mesoscopic systems is investigated. It is shown that a straightforward thermodynamical treatment of an evaporating liquid drop leads to a backbending in…
Heat capacity curves as functions of temperature were calculated using Monte Carlo methods for the series of Ar_{13-n}Kr_n clusters (0 <= n <= 13). The clusters were modeled classically using pairwise additive Lennard-Jones potentials.…
We study heat transfer from a heated nanoparticle into surrounding fluid, using molecular dynamics simulations. We show that the fluid next to the nanoparticle can be heated well above its boiling point without a phase change. Under…
In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we determine reaction pathways between the low energy isomers of one of these clusters,…
We measured the resistivity and magnetic susceptibility to map out the phase diagram of single crystalline NaFe$_{1-x}$Co$_x$As. Replacement of Fe by Co suppresses both the structural and magnetic transition, while enhances the…
The spin-1/2 Ising-Heisenberg two-leg ladder accounting for alternating Ising and Heisenberg inter-leg couplings in addition to the Ising intra-leg coupling is rigorously mapped onto to a mixed spin-(3/2,1/2) Ising-Heisenberg diamond chain…
Molecular dynamics simulation is employed to understand the thermodynamic behavior of cuboctahedron (cub) and icosahedron (ico) nanoparticles with 2-20 number of shells (55-28741 atoms). The embedded atom method was used to describe the…
A general theory for the melting of two dimensional solids explaining the universal and non-universal properties is an open problem up to date. Although the celebrated KTHNY theory have been able to predict the critical properties of the…