相关论文: Investigating finite-size effects in molecular dyn…
Based on the isospin-dependent quantum molecular dynamics model, finite-size scaling effects on nuclear liquid--gas phase transition probes are investigated by studying the de-excitation processes of six thermal sources of different sizes…
We report on unique electronic properties in Fe-SiO2 nanocomposite thin films in the vicinity of the percolation threshold. The electronic transport is dominated by quantum corrections to the metallic conduction of the Infinite Cluster…
We consider four- and six-fermion interacting models at finite temperature and density. We construct the corresponding free energies and investigate the appearance of first- and second-order phase transitions. Finite-size effects on the…
Crystalline materials at elevated temperatures and pressures can exhibit properties more reminiscent of simple liquids than ideal crystalline materials. Superionic crystalline materials having a liquid-like conductivity {\sigma} are…
Size-dependence of energy transport and the effects of reduced dimensionality on transport coefficients are of key importance for understanding nonequilibrium properties of matter on the nanoscale. Here, we perform nonequilibrium and…
Finite-size effects in systems with diverging characteristic lengthscale have been addressed via state-of-the-art Monte Carlo and molecular dynamics simulations of various models exhibiting solid-solid, liquid-liquid and vapor-liquid…
We present the results of a molecular dynamics computer simulation in which we investigate the dynamics of silica. By considering different system sizes, we show that in simulations of the dynamics of this strong glass former surprisingly…
The role of finite volume effects on the various transport coefficients of strongly interacting quark matter is analyzed in the Polyakov chiral SU(3) quark mean field model (PCQMF) at finite temperatures and chemical potentials…
The thermodynamics of hot and dense matter created in heavy-ion collision experiments are usually studied as a system of infinite volume. Here we report on possible effects for considering a finite system size for such matter in the…
Novel hyperuniform materials are emerging as an active field of applied and basic research since they can be designed to have exceptional physical properties. This ubiquitous state of matter presents a hidden order that is characterized by…
Evidence suggests that the transport rate of a passive particle at long timescales is enhanced due to interactions with the surrounding active ones in a size- and composition-dependent manner. Using a system of particles with different…
The finite-size effects in critical phenomena of a thin film system are studied from a mean field (MF) approach with $\phi^4$ model for second-order phase transition. The influence of boundary condition on the critical properties are…
First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing…
The finite-size effects prominent in zero-range processes exhibiting a condensation transition are studied by using continuous-time Monte Carlo simulations. We observe that, well above the thermodynamic critical point, both static and…
A novel combination of discontinuous molecular dynamics and the Langevin equation, together with an intermediate-resolution model, are used to carry out long (several $\mu$s) simulation and study folding transition and transport of proteins…
How condensed-matter simulations depend on the number of molecules being simulated ($N$) is sometimes itself a valuable piece of information. Liquid crystals provide a case in point. Light scattering and $2d$-IR experiments on…
Using a large scale molecular dynamics computer simulation we investigate the dynamics of a supercooled melt of SiO_2. We find that with increasing temperature the temperature dependence of the diffusion constants crosses over from an…
Mechanocaloric materials experience a change in temperature when a mechanical stress is adiabatically applied on them. Thus far, only ferroelectrics and superelastic metallic alloys have been considered as potential mechanocaloric compounds…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
We present a comprehensive theoretical study of finite size effects in the relaxation dynamics of glass-forming liquids. Our analysis is motivated by recent theoretical progress regarding the understanding of relevant correlation length…