Related papers: Convective Replica-Exchange in Ergodic Regimes
We extend replica exchange simulation in two ways, and apply our approaches to biomolecules. The first generalization permits exchange simulation between models of differing resolution -- i.e., between detailed and coarse-grained models.…
We report experimental measurements of heat transport in rotating Rayleigh-B{\'e}nard convection in a cylindrical convection cell with aspect ratio $\Gamma = 1/2$. The fluid was helium gas with Prandtl number Pr = 0.7. The range of control…
An experiment of thermal convection with significant compressible effects is presented. The high-gravity environment of a centrifuge and the choice of xenon gas enable us to observe an average adiabatic temperature gradient up to 3.5 K…
Transport in disordered media is a central theme in probability and statistical physics, where randomness in the underlying medium produces phenomena such as localization, anomalous scaling, and slow relaxation. A paradigmatic model for…
We introduce a variant of the asymmetric random average process with continuous state variables where the maximal transport is restricted by a cutoff. For periodic boundary conditions, we show the existence of a phase transition between a…
The regimes of possible global atmospheric circulation patterns in an Earth-like atmosphere are explored using a simplified GCM based on the University of Hamburg's Portable University Model for the Atmosphere with simplified (linear)…
Numerical simulations of turbulent Rayleigh-B\'enard convection in an ideal gas, using either the anelastic approximation or the fully compressible equations, are compared. Theoretically, the anelastic approximation is expected to hold in…
A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without…
Random Walks in Cooling Random Environments (RWCRE) is a model of random walks in dynamic random environments where the environment is frozen between a fixed sequence of times (called the cooling map) where it is resampled. Naturally the…
Transition interface sampling (TIS) and replica exchange TIS (RETIS) are powerful methods for computing rates of rare events inaccessible to straightforward molecular dynamics (MD) simulations. Path reweighting extends their output,…
In this paper we analyze a PDE system modelling (non-isothermal) phase transitions and damage phenomena in thermoviscoelastic materials. The model is thermodynamically consistent: in particular, no {\em small perturbation assumption} is…
In this paper we carry out a numerical investigation of forced convection heat transfer from a heated elliptical cylinder in a uniform free stream with angle of inclination $\theta^{\circ}$. Numerical simulations were carried out for $10…
In this short note we sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations…
Numerical analytical heat transfer models play a critical role in geothermal design and feasibility studies. Classical solutions, such as those proposed by Gringarten et al. 1975, rely on simplified assumptions and systematically…
We investigate the stability and dynamics of natural convection in two dimensions, subject to inhomogeneous boundary conditions. In particular, we consider a Rayleigh-B\`enard (RB) cell, where the horizontal top boundary contains a periodic…
The possibility of subcritical behaviour in the geostrophic turbulence regime of rapidly rotating thermally driven convection is explored. In this regime a non-local inverse energy transfer may compete with the more traditional and local…
A new, very fast, implementation of the exact (Fock) exchange operator for electronic structure calculations within the plane-wave pseudopotential method is described in detail for both molecular and periodic systems, and carefully…
The computational bottleneck of molecular dynamics is the pairwise additive long-range interactions between particles. The random batch Ewald (RBE) method provides a highly efficient and superscalable solver for long-range interactions, but…
The nematic-isotropic (NI) phase transition of 4-cyano-4'-pentylbiphenyl (5CB) was simulated using the generalized replica-exchange method (gREM) based on molecular dynamics simulations. The effective temperature is introduced in gREM,…
When rotating classical fluid drops merge together, angular momentum can be advected from one to another due to the viscous shear flow at the drop interface. It remains elusive what the corresponding mechanism is in inviscid quantum fluids…