Related papers: Correlations in nano-scale step fluctuations: comp…
We consider the thermodynamics of a uniformly charged polyelectrolyte with harmonic bonds. For such a system there is at high temperatures an approximate scaling of global properties like the end-to-end distance and the interaction energy…
We describe two experiments to study the influence of fluctuations in the electron charge on the transport properties of a quantum dot. First, we scan a device from single- to double quantum-dot behavior by varying the conductance of a…
We report a novel Monte Carlo scheme that greatly enhances the power of parallel-tempering simulations. In this method, we boost the accumulation of statistical averages by including information about all potential parallel tempering trial…
We study the effect of fluctuations in opening angle of bent-core molecules on stability of the nematic phases. The molecules are built out of two Gay-Berne centers of $\kappa = 4$, $\kappa ' = 5$, $\mu = 1$ and $\nu = 2$, each…
Magnetization reversal in magnetic nanostructures is investigated numerically over time-scales ranging from fast switching processes on a picosecond scale to thermally activated reversal on a microsecond time-scale. A simulation of the…
We present a multi-lattice kinetic Monte Carlo (kMC) approach that efficiently describes the atomistic dynamics of morphological transitions between commensurate structures at crystal surfaces. As an example we study the reduction of a…
A model for two-dimensional colloids confined laterally by "structured boundaries" (i.e., ones that impose a periodicity along the slit) is studied by Monte Carlo simulations. When the distance D between the confining walls is reduced at…
We investigate the problem of polymer translocation through a nanopore in the absence of an external driving force. To this end, we use the two-dimensional (2D) fluctuating bond model with single-segment Monte Carlo moves. To overcome the…
A new approach to the Berezinskii-Kosterlitz-Thouless transition in the two-dimensional Coulomb gas model is explored by MC simulation and finite size scaling. The usual mapping of a neutral two-dimensional superconductor in zero magnetic…
Recent work on the complete wetting transition has emphasized the role played by the coupling of fluctuations of the order parameter at the wall and at the depinning fluid interface. Extending this approach to the wetting transition itself…
We study spin diffusion and spin waves in paramagnetic quantum crystals (solid He-3, for example) by direct simulation of a square lattice of atoms interacting via a nearest-neighbor Heisenberg exchange Hamiltonian. Recently, Cowan and…
We have used kinetic Monte Carlo (kMC) simulations of a lattice gas to study front fluctuations in the spreading of a non-volatile liquid droplet onto a solid substrate. Our results are consistent with a diffusive growth law for the radius…
Monte Carlo simulation is used to study the dynamical crossover from single file diffusion to normal diffusion in fluids confined to narrow channels. We show that the long time diffusion coefficients for a series of systems involving hard…
Spatial step edge fluctuations on a multi-component surface of Al/Si(111)-(root3 x root3) were measured via scanning tunneling microscopy over a temperature range of 720K-1070K, for step lengths of L = 65-160 nm. Even though the time scale…
We define optimal per-particle fluctuation and correlation measures, relate fluctuations and correlations through an integral equation and show how to invert that equation to obtain precise autocorrelations from fluctuation scale…
Starting from the recently proposed energy-based deviational formulation for solving the Boltzmann equation [J.-P. Peraud and N. G. Hadjiconstantinou, Phys. Rev. B 84, 2011], which provides significant computational speedup compared to…
In this article we obtain the equilibrium fluctuations of a symmetric exclusion process in $\mathbb{Z}$ with long jumps. The transition probability of the jump from $x$ to $y$ is proportional to $|x-y|^{-\gamma-1}$. Here we restrict to the…
We present a novel Exchange Monte Carlo (EMC) method designed for application in continuous-space Path Integral Monte Carlo (PIMC) simulations at finite temperature. Traditional PIMC methods for bosonic systems suffer from long…
We propose to compute physical properties by Monte Carlo calculations using conditional expectation values. The latter are obtained on top of the usual Monte Carlo sampling by partitioning the physical space in several subspaces or…
We derive an exact generalization of the well-known Lebowitz--Percus--Verlet (LPV) formula that relates the kinetic energy fluctuations of an isolated system to its specific heat. Our general formula, obtained by the application of…