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

The liquid-gas transition in free atomic clusters is investigated theoretically based on simple unimolecular rate theories and assuming sequential evaporations. A kinetic Monte Carlo scheme is used to compute the time-dependent properties…

In this lecture we review high-pressure phase transition sequences exhibited by simple elements, looking at the examples of the main group I, II, IV, V, and VI elements. General trends are established by analyzing the changes in…

Nucleation is the onset of a first-order phase transition by which a metastable phase transforms into a more stable one. Such a phase transition occurs when an initial system initially in equilibrium is destabilized by the change of an…

We observed 14 methanol transitions near lambda=2 mm in Galactic star-forming regions. Broad, quasi-thermal J(0)-J(-1)E methanol lines near 157 GHz were detected toward 73 sources. Together with the 6(-1)-5(0)E and 5(-2)-6(-1)E lines at 133…

The heat capacity C(T) of the interstitial solid solution (CH4)0.4C60 has been investigated in the temperature interval 1.4-120 K. The contribution of CH4 molecules to the heat capacity has been separated. The contributions of CH4 and CD4…

Small three-dimensional strongly coupled clusters of charged particles in a spherical confinement potential arrange themselves in nested concentric shells. If the particles are immersed into a background plasma the interaction is screened.…

We study the structural changes occurring in the isotropic phase of the C$_{12}$=EO$_6$/H$_2$O lyotropic mixture (up to 35% surfactant weight concentration) upon increasing the concentration and temperature, from small individual micelles…

With the advances in miniaturization, understanding and controlling properties of significant technological systems like silicon in nano regime assumes considerable importance. It turns out that small silicon clusters in the size range of…

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…

Based on density functional calculations, we propose that ZrMn_2 is a polymorphic material. We predict that at low temperatures the cubic C15, and the hexagonal C14 and C36 structures of the Laves phase compound ZrMn_2 are nearly equally…

The isoscaling behavior is investigated using the isotopic/isobaric yields from the equilibrated thermal source which is prepared by the lattice gas model for lighter systems with A = 36. The isoscaling parameters $\alpha$ and -$\beta$ are…

Consider a model of particles (nucleons) which has a two-body interaction which leads to bound composites with saturation properties. These properties are : all composites have the same density and the ground state energies of composites…

The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 K and 400 K.…

The high-temperature cubic-tetragonal phase transition of pure stoichiometric zirconia is studied by molecular dynamics (MD) simulations and within the framework of the Landau theory of phase transformations. The interatomic forces are…

We have used molecular dynamics simulations to construct a microcanonical caloric curve for a 1415-atom Ni icosahedron. Prior to melting the Ni cluster exhibits static solid-liquid phase coexistence. Initially a partial icosahedral…

The work discusses specifics of phase transitions for metastable states of substances. The objects of condensed media physics are primarily equilibrium states of substances with metastable phases viewed as an exception, while the…

The magnetic and structural transformations in the nickel crystal within the temperature range 470 < T< 631 K is studied on the basis of general phenomenological theory of spin-orbit phase transitions. A new phase transition at Tls \approx…

Experimental level densities for 171,172Yb, 166,167Er, 161,162Dy, and 148,149Sm are analyzed within the microcanonical ensemble. In the even isotopes at excitation energies E < 2 MeV, the Helmholtz free energy F signals the transition from…

I employ an ensemble of hydrodynamical simulations and the XSPEC MEKAL emission model to reproduce observable spectral and flux-weighted temperatures for 24 clusters. Each cluster is imaged at 16 points in its history, which allows the…

The rapid shape change in Zr isotopes near neutron number $N$=60 is identified to be caused by type II shell evolution associated with massive proton excitations to its $0g_{9/2}$ orbit, and is shown to be a quantum phase transition. Monte…