相关论文: Investigating finite-size effects in molecular dyn…

The surface tension of monolayers with mixtures of anionic and nonionic surfactant at the liquid/vapour interface is studied. Previous works have observed that calculations of the surface tension of simple fluids show artificial…

We construct a coarse-grained molecular dynamics model based on poly(ethylene oxide) and lithium bis-(trifluoromethane)sulfonimide salt to examine the combined effects of temperature and salt concentration on the transport properties. Salt…

Energy transfer in small nanosized systems can be very different from that in their macroscopic counterparts due to reduced dimensionality, interaction with surfaces, disorder, and large fluctuations. Those ingredients may induce…

The influence of periodic boundary conditions (implicit finite-size effects) on the anisotropy of pair correlations in computer simulations is studied for a dense classical fluid of pair-wise interacting krypton atoms near the triple point.…

We study a calcium aluminosilicate glass of composition (SiO$_2$)$_{0.67}$-(Al$_2$O$_3$)$_{0.12}$-(CaO)$_{0.21}$ by means of molecular-dynamics (MD) simulations, using a potential made of two-body and three-body interactions. In order to…

We present a model to study effects from an external magnetic field, chemical potential, and finite size, on the phase structure of a massive four- and six-fermion interacting system. These effects are introduced by a method of…

The thermodynamical cluster model is known to present a first-order liquid-gas phase transition in the idealized case of an uncharged, infinitely extended medium. However, in most practical applications of this model, the system is finite…

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…

We investigate finite-size effects on the phase structure of chiral and difermion condensates at finite temperature and density in the framework of the two-dimensional large-$N$ Nambu-Jona-Lasinio model. We take into account size-dependent…

The standard model of enhanced ionic conductivities in solid electrolyte heterostructures follows from a continuum mean-field description of defect distributions that makes no reference to crystalline structure. To examine ionic transport…

Effects of ballistic transport on the temperature profiles and thermal resistance in nanowires are studied. Computer simulations of nanowires between a heat source and a heat sink have shown that in the middle of such wires the temperature…

The interest in the topological properties of materials brings into question the problem of topological phase transitions. As a control parameter is varied, one may drive a system through phases with different topological properties. What…

Thermal and magnetic effects in a system consisting of thin layers of coupled Ising spins with $S=1/2$ and $S=1$ are considered. The specific heat and the correlation length display maxima at two different temperatures. It is discussed in…

Using direct atomic simulations, the vibration scattering time scales are characterized, and then the nature and the quantitative weight of thermal excitations are investigated in an example system Li2S from its amorphous solid state to its…

In this work we study the temperature dependence of the equilibrium variance of critical fluctuations near the QCD critical point. In particular, we take the finite size of the fireball created in heavy-ion collisions into account and…

We investigate the relaxation dynamics of heat transport in superconductors, shaped by the interplay of diffusion, nonlinearity, and magnetic fields. Focusing on regimes near the critical temperature Tc, we analyze two classes of relaxation…

We consider a simple, purely stochastic model characterized by two conserved quantities (mass density $a$ and energy density $h$) which is known to display a condensation transition when $h > 2a^2$: in the localized phase a single site…

The finite-size effect on the antiferromagnetic (AF) transition and electronic configuration of iron has been observed in LiFePO4. Determination of the scaling behavior of the AF transition temperature (TN) versus the particle-size…

In this work we study molecular dynamics simulations of symmetric nuclear matter using a semi-classical nucleon interaction model. We show that, at sub-saturation densities and low temperatures, the solutions are non-homogeneous structures…

The transport of excitation probabilities amongst weakly coupled subunits is investigated for a class of finite quantum systems. It is demonstrated that the dynamical behavior of the transported quantity depends on the considered length…