相关论文: Melting behavior of large disordered sodium cluste…
In the present work, crystallization in melts and poor-solvent solutions of semiflexible polymers with different concentration was studied by means of dissipative particle dynamics simulation technique. We use a coarse-grained polymer model…
We study the melting of a moving vortex lattice through numerical simulations with the current driven 3D XY model with disorder. We find that there is a first-order phase transition even for large disorder when the corresponding equilibrium…
The melting transition of a system of hard cubes is studied numerically both in the case of freely rotating cubes and when there is a fixed orientation of the particles (parallel cubes). It is shown that freelly rotating cubes melt through…
We present a numerical study of a two dimensional granular medium consisting of hard inelastic disks. The evolution of the medium throughout a cooling process is monitored. Two different types of instabilities (shearing and clustering…
We present a spherically-symmetric, steady-state model of galaxy clusters in which radiative cooling from the hot gas is balanced by heat transport through turbulent mixing. We assume that the gas is in hydrostatic equilibrium, and describe…
While significant interests have been devoted to the double diffusive phase change heat transfer of binary solutions, the understanding on the melting heat transfer of salty ice in porous media is still imcomplete. This work aims to explore…
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered $\delta$ phase to the orientationally disordered $\gamma$ phase. An effective pair potential is used to model the interaction…
We have obtained effective medium theory (EMT) interatomic potential parameters suitable for studying Cu-Mg metallic glasses. We present thermodynamic and structural results from simulations of such glasses over a range of compositions. We…
We predict a novel temperature-driven phase transition of DNA below the melting transition. The additional, intermediate phase exists for repetitive sequences, when the two strands have different lengths. In this phase, the excess bases of…
The nonequilibrium behaviour of a core-shell nanoparticle has been studied by Monte- Carlo simulation. The core consists of Ising spins of $\sigma=1/2$ and the shell contains Ising spins of $S=1$. The interactions within the core and in the…
A high-resolution calorimetric study has been carried out on nano-colloidal dispersions of aerosils in the liquid crystal 4-\textit{n}-pentylphenylthiol-4'-\textit{n}-octyloxybenzoate ($\bar{8}$S5) as a function of aerosil concentration and…
Results from a large sample of hydrodynamical/N-body simulations of galaxy clusters in a LCDM cosmology are used to simulate cluster X-ray observations as expected from Chandra observations. The physical modeling of the gas includes…
In this work, a unified numerical model is used to determine the melting thresholds and to investigate early stages of melting of several crystalline semiconductors (Si, Ge, GaAs, CdTe and InP) irradiated by nanosecond laser pulses. A…
When DNA molecules are heated they denature. This occurs locally so that loops of molten single DNA strands form, connected by intact double-stranded DNA pieces. The properties of this "melting" transition have been intensively…
We present a study on the melting dynamics of neighbouring ice bodies by means of idealised simulations, focusing on collective effects, with the goal of obtaining fundamental insight into how collective interactions influence the melting…
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…
The thermodynamic behavior of calcium oxide (\ce{CaO}) under high temperature and pressure conditions is critical for understanding the physics of planetary interiors. This study employs molecular dynamics (MD) simulations, including both…
We use molecular dynamics computer simulations to study the relaxation dynamics of Na2O-2(SiO2) in its molten, highly viscous state. We find that at low temperatures the incoherent intermediate scattering function for Na relaxes about 100…
Recent experiments have shown that sodium, a prototype simple metal at ambient conditions, exhibits unexpected complexity under high pressure. One of the most puzzling phenomena in the behaviour of dense sodium is the pressure-induced drop…
The behavior of saturated aqueous sodium chloride solutions under a constant external electric field (E) was studied by molecular dynamics (MD) simulation. Our dynamic MD simulations have indicated that the irreversible nucleation process…