相关论文: Can Small Free Methane Clusters Exhibit Phase-like…

The results of a survey of 63 galactic star-forming regions in the 6_K-5_K and 5_K-4_K methyl acetylene lines at 102 and 85 GHz, respectively, are presented. Fourty-three sources were detected at 102 GHz, and twenty-five at 85 GHz. Emission…

We show that electronic-entropy effects in the size-evolutionary patterns of relatively small (as small as 20 atoms), simple-metal clusters become prominent already at moderate temperatures. Detailed agreement between our…

Here we first develop the thermodynamics of microcanonical phase transitions of first and second order in systems which are thermodynamically stable in the sense of van Hove. We show how both kinds of phase transitions can unambiguously be…

Neutron diffraction studies as a function of temperature on solid solutions of MnSe and MnTe in the Se rich region are presented. Interestingly as Te is doped in MnSe, the structural transformation to NiAs phase diminishes, both in terms of…

We follow the structural transformation in solid C$_{70}$ from the high temperature hcp to a low temperature monoclinic phase using x-ray diffraction studies at controlled cooling-rates from 0.0033 to 0.42 K/min. Rapid cooling of the sample…

The onset of quartetting, i.e. alpha-particle condensation, in symmetric nuclear matter is studied with the help of an in-medium modified four nucleon equation. It is found that at very low density quartetting wins over pairing, because of…

We use molecular dynamics with an embedded atom potential to study the behavior of palladium nanoclusters near the melting point in the microcanonical ensemble. We see transitions from both fcc and decahedral ground state structures to…

By applying a genetic algorithm in a cascade approach of increasing accuracy, we calculate the composition and structure of MgMOx clusters at realistic temperatures and oxygen pressures. The stable and metastable systems are identified by…

A few experiments have already detected the presence of icosahedral superclusters in undercooled liquids, confirming a possible homogeneous nucleation of such entities as suggested by Franck. These superclusters survive in melts above the…

We study by Quantum Monte Carlo simulations the local superfluid response of small (up to 27 molecules) parahydrogen clusters, down to temperatures as low as 0.05 K. We show that at low temperature superfluidity is not confined at the…

A systematic and detailed investigation of the finite-temperature behavior of small sodium clusters, Na_n, in the size range of n= 8 to 50 are carried out. The simulations are performed using density-functional molecular-dynamics with…

Crystallization of alkane mixtures has been studied extensively for decades. However, majority of the available data consider the behaviour of alkanes with chain length of 21 C-atoms or more. Furthermore, important information about the…

Ab initio molecular dynamic method within the framework of density functional theory is applied to analyze the structural and electronic properties of crystalline molecular hydrogen at temperature 100\,K. Pressure, pair correlation function…

By exact diagonalization, we investigate several spin-$\frac 12$ $J_1-J_2$ real clusters of molecular scale with different shapes. Our calculations show that when the ratio, $\eta $, of next nearest neighbor to nearest neighbor bonds is…

Aiming towards materials design for methane activation, we study temperature ($T$), pressure ($p$) dependence of the composition, structure, and stability of metal oxide clusters in a reactive atmosphere using a prototypical model catalyst…

In metallic nanoparticles, the cluster geometric structures control the particle's electronic band structure, polarizability, and catalytic properties. Analyzing the structural properties is a complex problem; the structure of an assembled…

The problem of cluster formation and growth in first-order quark-hadron phase transition in heavy-ion collisions is considered. Behaving as Brownian particles, the clusters carry out random walks and can encounter one another, leading to…

The dynamics and thermodynamics of phase transition in hot nuclei are studied through experimental results on multifragmentation of heavy systems (A>200) formed in central heavy ion collisions. Different signals indicative of a phase…

The molecular phase of hydrogen converts to the atomic metallic phase at high pressures estimated usually as 300 - 500 GPa. We analyze the decay of metallic phase as the pressure is relieved below the transition one. The metallic state is…

Packing transitions in the lowest energy structures of Li clusters as a function of size have been identified via simulated annealing. For N>21, the large $p$ character of Li leads to unexpected ionic structures. At N~25, a packing pattern…