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Register a new userCalculation of a fluctuating entropic force by phase space sampling
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A polymer chain pinned in space exerts a fluctuating force on the pin point in thermal equilibrium. The average of such fluctuating force is well understood from statistical mechanics as an entropic force, but little is known about the underlying force distribution. Here, we introduce two phase space sampling methods that can produce the equilibrium distribution of instantaneous forces exerted by a terminally pinned polymer. In these methods, both the positions and momenta of mass points representing a freely jointed chain are perturbed in accordance with the spatial constraints and the Boltzmann distribution of total energy. The constraint force for each conformation and momentum is calculated using Lagrangian dynamics. Using terminally pinned chains in space and on a surface, we show that the force distribution is highly asymmetric with both tensile and compressive forces. Most importantly, the mean of the distribution, which is equal to the entropic force, is not the most probable force even for long chains. Our work provides insights into the mechanistic origin of entropic forces, and an efficient computational tool for unbiased sampling of the phase space of a constrained system.
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Active matter represents a broad class of systems that evolve far from equilibrium due to the local injection of energy. Like their passive analogues, transformations between distinct metastable states in active matter proceed through rare fluctuations, however their detailed balance violating dynamics renders these events difficult to study. Here, we present a simulation method for evaluating the rate and mechanism of rare events in generic nonequilibrium systems and apply it to study the conformational changes of a passive solute in an active fluid. The method employs a variational optimization of a control force that renders the rare event a typical one, supplying an exact estimate of its rate as a ratio of path partition functions. Using this method we find that increasing activity in the active bath can enhance the rate of conformational switching of the passive solute in a manner consistent with recent bounds from stochastic thermodynamics.
We present exact derivations of the effective capillary wave fluctuation induced forces resulting from pinning of an interface between two coexisting phases at two points separated by a distance r. In two dimensions the Ising ferromagnet calculations based on the transfer matrix approach give an attractive force decaying as 1/r for large distances. In three dimensions mapping of the body-centered solid-on-solid model onto the 6-vertex model allows for exact solution using the bosonization analysis of the equivalent XXZ Heisenberg quantum chain. The exact result gives the attractive force which decays asymptotically as 1/(rlog r).
We consider the motion of an active Brownian particle with speed fluctuations in d-dimensions in the presence of both translational and orientational diffusion. We use an Ornstein-Uhlenbeck process for active speed generation. Using a Laplace transform approach, we describe and use a Fokker-Planck equation-based method to evaluate the exact time dependence of all relevant dynamical moments. We present explicit calculations of such moments and compare our analytical predictions against numerical simulations to demonstrate and analyze several dynamical crossovers. The kurtosis of displacement shows positive or negative deviations from a Gaussian behavior at intermediate times depending on the dominance of speed or orientational fluctuations.
The complex interplay between the various attractive and repulsive forces that mediate between biological membranes governs an astounding array of biological functions: cell adhesion, membrane fusion, self-assembly, binding-unbinding transition among others. In this work, the entropic repulsive force between membranes---which originates due to thermally excited fluctuations---is critically reexamined both analytically and through systematic Monte Carlo simulations. A recent work by Freund cite {Freund13} has questioned the validity of a well-accepted result derived by Helfrich cite{Helfrich78}. We find that, in agreement with Freund, for small inter-membrane separations ($d$), the entropic pressure scales as $psim 1/d $, in contrast to Helfrichs result: $psim 1/d^3$. For intermediate separations, our calculations agree with that of Helfrich and finally, for large inter-membrane separations, we observe an exponentially decaying behavior.
A numerical method, suitable for the simulation of the time evolution of quantum spin models of arbitrary lattice dimension, is presented. The method combines sampling of the Wigner function with evolution equations obtained from the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. Going to higher orders of the BBGKY hierarchy allows for a systematic refinement of the method. Quantum correlations are treated through both, the Wigner function sampling and the BBGKY evolution, bringing about highly accurate estimates of correlation functions. The method is particularly suitable for long-range interacting systems, and we demonstrate its power by comparing with exact results as well as other numerical methods. As an application we compute spin squeezing in a two-dimensional lattice with power-law interactions and a transverse field, which should be accessible in future ion trap experiments.
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