相关论文: Implicit Finite-Size Effects in Computer Simulatio…
We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…
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…
Computational studies of crystal nucleation can be impacted by finite size effects, primarily due to unphysical interactions between crystalline nuclei and their periodic images. It is, however, not always feasible to systematically…
The influence of finite size effects, choice of statistical ensemble and contribution of the forces in numerical simulations using the dissipative particle dynamics (DPD) model are revisited here. Finite size effects in stress anisotropy,…
Periodic boundary conditions have not a unique implementation in magnetic systems where all spins interact with each other through a power law decaying interaction of the form $1/r^\alpha$, $r$ being the distance between spins. In this work…
Further developments are introduced in the theory of finite size errors in quantum many-body simulations of extended systems using periodic boundary conditions. We show that our recently introduced Model Periodic Coulomb interaction [A. J.…
The finite size effects of the nanoparticles to the atomic pair distribution functions (PDF) are discussed by calculating the radial distribution functions (RDF) on nanoparticles with various shapes, such as sheet, belt, rod, tube and…
One reports computational study revealing a set of general requirements, fulfilling of which would allow employing changes in ambient conditions to regulate accomplishing the collective outcome of emerging active network patterns in an…
We explore semi-dilute and concentrated oligomers and polymers in a broad range of polymerization indices N ranging from 1 to a 100 and in a range of monomer number densities $\phi$ from 0.1 to 0.8 via molecular dynamics simulations and…
Finite-size effects are challenging in molecular dynamics simulations because they have significant effects on computed static and dynamic properties, in particular diffusion constants, friction coefficients and time- or frequency-dependent…
The scaling of the number of Rydberg excitations in a laser-driven cloud of atoms with the interaction strength is found to be affected by the finite size of the system. The scaling predicted by a theoretical model is compared with results…
Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting…
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…
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…
The properties of isobaric ratios, between nuclei produced in the same reaction, are investigated using the canonical and grand-canonical statistical ensembles. Although the grand-canonical for- mulae furnish a means to correlate the ratios…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
We apply a recently developed perturbative formalism which describes the evolution under their self-gravity of particles displaced from a perfect lattice to quantify precisely, up to shell crossing, the effects of discreteness in…
We investigate finite-size effects on the chiral phase diagram of strong interactions within the linear sigma model coupled to quarks. We estimate the modification of the pseudocritical transition line and isentropic trajectories for sizes…
Finite size effects in Euclidean ${\rm CP}^{N-1}$ models with periodic boundary conditions are investigated by means of the $1/N$ expansion and by Monte Carlo simulations. Analytic and numerical results for magnetic susceptibility and…
We present model predictions for the spectrum of $CP^{N-1}$ in a periodic box and use them to interpret the strong finite size effects observed in lattice simulations at medium values of $N$. The asymptotic scaling behaviour of alternative…