相关论文: Melting of the Au20 gold cluster : does charge mat…

Density functional molecular dynamics simulations have been carried out to understand the finite temperature behavior of Au$_{19}$ and Au$_{20}$ clusters. Au$_{20}$ has been reported to be a unique molecule having tetrahedral geometry, a…

Employing first principles parallel tempering molecular dynamics in the microcanonical ensemble, we report the presence of a clear solid-liquid-like melting transition in Al20+ clusters, not found in experiments. The phase transition…

A computational approach to determine the equilibrium structures of nanoclusters in the whole temperature range from 0 K to melting is developed. Our approach relies on Parallel Tempering Molecular Dynamics (PTMD) simulations complemented…

The melting of Al clusters in the size range 49 <= N <= 62 has been studied using two model interatomic potentials. The results for the two models are significantly different. The glue potential exhibits a smooth relatively featureless heat…

We have measured the spontaneous and photo-induced decays of anionic gold clusters, Au$_N^-$, with sizes ranging from $N = 2$ to 13, and 15. After production in a sputter ion source, the size-selected clusters were stored in the cryogenic…

Density functional molecular dynamical simulations have been performed on Ga$_{17}$ and Ga$_{13}$ clusters to understand the recently observed higher-than-bulk melting temperatures in small gallium clusters [Breaux {\em et al.}, Phys. Rev.…

The thermal stability of the (C_20)_2 cluster dimer consisting of two C_20 fullerenes is examined using a tight-binding approach. Molecular dynamics simulations of the (C_20)_2 dimer at temperatures T = 2000 - 3500 K show that the finite…

Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238…

In the framework of melting as a dislocation-mediated phase transition we derive an equation for the pressure dependence of the melting temperatures of the elements valid up to pressures of order their ambient bulk moduli. Melting curves…

We will report centrality dependence of chemical freeze-out temperature ($T_{ch}$), light quark chemical potential ($\mu_{q}$), strange quark chemical potential ($\mu_{s}$), and strangeness saturation factor ($\gamma_{s}$) in Au+Au…

We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…

We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis focuses on…

First principle calculations have been performed to understand the experimentally observed size sensitive variations in the characteristics of heat capacities of gallium clusters [G. A. Breaux {\it et. al.} J. Am. Chem. Soc., {\bf 126},…

We analyse the centrality dependence of thermal parameters deduced from hadron m ultiplicities in Au + Au collisions at $\sqrt{s_{NN}} = 130 GeV$. While the chemical freeze-out temperature and chemical potentials are found to be roughly…

We consider an AdS/QCD model at finite temperature with a dilaton field that we call thermal because, in addition to depending on the holographic coordinate, it also depends on temperature. We study two thermal dilatons in this work such…

The anisotropy gamma of the superconducting state of high quality single-crystals of MgB2 was determined, using torque magnetometry with two different methods. The anisotropy of the upper critical field was found to be temperature…

We propose a general formula for the melting temperature of metals in terms of electronic mass, electronic number, and nearest-neighbor lattice distance. We derive it from the instability of the transverse phonon in the solid phase, using…

A dimer of bound atoms cannot melt, only dissociate. Bulk metals show a well defined first order transition between their solid and liquid phases. The appearance of the melting transition is explored for increasing clusters sizes via the…

Due to local field enhancement and subwavelength confinements, nano-plasmonics provide numerous novel applications. Simultaneously, as an efficient nanoscale heat generator from inherent absorption, thermo-plasmonics is emerging as an…

We predict the structures of neutral gas-phase gold clusters ($Au_n$, $n$ = 5$-$13) at finite temperatures based on free-energy calculations obtained by replica-exchange ab initio molecular dynamics. The structures of neutral…