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

Phase transitions of small isolated systems are signaled by the shape of the caloric equation of state e^*(T), the relationship between the excitation energy per nucleon e^* and temperature. In this work we compare the experimentally…

The thermodynamic properties of 59 TeF6 clusters that undergo temperature-driven phase transitions have been calculated with a canonical J-walking Monte Carlo technique. A parallel code for simulations has been developed and optimized on…

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…

In a granular gas, inelastic collisions produce an instability in which the constituent particles cluster heterogeneously. These clusters then interact with each other, further decreasing their kinetic energy. We report experiments of the…

The structure of solid oxygen has been studied at pressures from 50 to 140~GPa using static structure search methods and molecular dynamics simulations with density functional theory and a hybrid exchange functional. Several crystalline…

Using molecular dynamics simulation, we present a comprehensive study of the volatile thermal degradation of high-density polyethylene (HDPE) across a temperature range of 300 K to 1823 K. We find that degradation at temperatures higher…

Cold and isospin-symmetric nuclear matter at sub-saturation densities is known to form the so-called pasta structures, which, in turn, are known to undergo peculiar phase transitions. Here we investigate if such pastas and their phase…

Supermassive black holes at the centres of galaxies are often surrounded by dense star clusters. For a wide range of cluster properties and orbital radii the resonant relaxation times in these clusters are much shorter than the Hubble time.…

Phase transformations such as freezing typically start with heterogeneous nucleation. Heterogeneous nucleation near a wetting transition, of a crystalline phase is studied. The wetting transition occurs at or near a vapour-liquid transition…

We have studied the magnetic properties of free cobalt clusters in two semi-independent Stern-Gerlach deflection experiments at temperatures between 60 and 307 K. We find that clusters consisting of 13 to 200 cobalt atoms exhibit behavior…

Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different…

We present results of the coefficient of thermal expansion for the frustrated quasi-two-dimensional molecular conductor $\theta$-(BEDT-TTF)$_2$RbZn(SCN)$_4$ for temperatures 1.5 K $\leq T \leq$ 290 K. A pronounced first-order phase…

According to the theoretical predictions, insulating molecular hydrogen dissociates and transforms to an atomic metal at pressures P~370-500 GPa. In another scenario, the metallization first occurs in the 250-500 GPa pressure range in…

It is shown that the double exchange Hamiltonian, with weak antiferromagnetic interactions, has a rich variety of first order transitions between phases with different electronic densities and/or magnetizations. For band fillings in the…

The freezing/melting transition is at the heart of many natural and industrial processes. In the classical picture, the transition proceeds via the nucleation of the new phase, which has to overcome a barrier associated to the free energy…

The finite temperature behavior of small Silicon (Si$_{10}$, Si$_{15}$, and Si$_{20}$) and Tin (Sn$_{10}$ and Sn$_{20}$) clusters is studied using isokinetic Born-Oppenheimer molecular dynamics. The lowest equilibrium structures of all the…

The formation of clusters in supercooled liquids close to the glass transition temperature is described by rate equations in which the coefficients are determined on physical grounds rather than in terms of thermodynamic quantities such as…

We present results from density functional theory and computer simulations that unambiguously predict the occurrence of first-order freezing transitions for a large class of ultrasoft model systems into cluster crystals. The clusters…

Magnetic properties of a polycrystalline alloy Ni$_{2.19}$Mn$_{0.81}$Ga, which undergoes a first-order magnetostructural phase transition from cubic paramagnetic to tetragonal ferromagnetic phase, are studied. Hysteretic behavior of…

Aims: The production of saturated organic molecules in hot cores and corinos is not well understood. The standard approach is to assume that, as temperatures heat up during star formation, methanol and other species evaporate from grain…