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Register a new userA Mesoscale Perspective on the Tolman Length
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We demonstrate that the multi-phase lattice Boltzmann method (LBM) yields a curvature dependent surface tension $sigma$ by means of three-dimensional hydrostatic droplets/bubbles simulations. Such curvature dependence is routinely characterized, at the first order, by the so-called {it Tolman length} $delta$. LBM allows to precisely compute $sigma$ at the surface of tension $R_s$, i.e. as a function of the droplet size, and determine the first order correction. The corresponding values of $delta$ display universality in temperature for different equations of state, following a power-law scaling near the critical point. The Tolman length has been studied so far mainly via computationally demanding molecular dynamics (MD) simulations or by means of density functional theory (DFT) approaches. It has proved pivotal in extending the classical nucleation theory and is expected to be paramount in understanding cavitation phenomena. The present results open a new hydrodynamic-compliant mesoscale arena, in which the fundamental role of the Tolman length, alongside real-world applications to cavitation phenomena, can be effectively tackled.
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The curvature dependence of interfacial free energy, which is crucial in quantitatively predicting nucleation kinetics and the stability of bubbles and droplets, can be described in terms of the Tolman length {delta}. For solid-liquid interfaces, however,{delta} has never been computed directly due to various theoretical and practical challenges. Here we present a general method that enables the direct evaluation of the Tolman length from atomistic simulations of a solid-liquid planar interface in out-of-equilibrium conditions. This method works by first measuring the surface tension from the amplitude of thermal capillary fluctuations of a localized version of Gibbs dividing surface, and bythen computing the free energy difference between the surface of tension and the equimolar dividing surface. For benchmark purposes, we computed {delta}for a model potential, and compared the results to less rigorous indirect approaches.
We systematically analyze the tensorial structure of the lattice pressure tensors for a class of multi-phase lattice Boltzmann models (LBM) with multi-range interactions. Due to lattice discrete effects, we show that the built-in isotropy properties of the lattice interaction forces are not necessarily mirrored in the corresponding lattice pressure tensor. This finding opens a different perspective for constructing forcing schemes, achieving the desired isotropy in the lattice pressure tensors via a suitable choice of multi-range potentials. As an immediate application, the obtained LBM forcing schemes are tested via numerical simulations of non-ideal equilibrium interfaces and are shown to yield weaker and less spatially extended spurious currents with respect to forcing schemes obtained by forcing isotropy requirements only. From a general perspective, the proposed analysis yields an approach for implementing forcing symmetries, never explored so far in the framework of the Shan-Chen method for LBM. We argue this will be beneficial for future studies of non-ideal interfaces.
We provide a simple and predictive random-matrix framework that naturally generalizes Pages law for ergodic many-body systems by incorporating a finite entanglement localization length. By comparing a highly structured one-dimensional model to a completely unstructured model and a physical system, we uncover a remarkable degree of universality, suggesting that the effective localization length is a universal combination of model parameters up until it drops down to the microscopic scale.
We present a study of exclusion processes on networks as models for complex transport phenomena and in particular for active transport of motor proteins along the cytoskeleton. We argue that active transport processes on networks spontaneously develop density heterogeneities at various scales. These heterogeneities can be regulated through a variety of multi-scale factors, such as the interplay of exclusion interactions, the non-equilibrium nature of the transport process and the network topology. We show how an effective rate approach allows to develop an understanding of the stationary state of transport processes through complex networks from the phase diagram of one single segment. For exclusion processes we rationalize that the stationary state can be classified in three qualitatively different regimes: a homogeneous phase as well as inhomogeneous network and segment phases. In particular, we present here a study of the stationary state on networks of three paradigmatic models from non-equilibrium statistical physics: the totally asymmetric simple exclusion process, the partially asymmetric simple exclusion process and the totally asymmetric simple exclusion process with Langmuir kinetics. With these models we can interpolate between equilibrium (due to bi-directional motion along a network or infinite diffusion) and out-of-equilibrium active directed motion along a network. The study of these models sheds further light on the emergence of density heterogeneities in active phenomena.
We introduce a pair of time-reversible models defined on the discrete space-time lattice with 3 states per site, specifically, a vacancy and a particle of two flavours (species). The local update rules reproduce the rule 54 reversible cellular automaton when only a single species of particles is present, and satisfy the requirements of flavour exchange (C), space-reversal (P), and time-reversal (T) symmetries. We find closed-form expressions for three local conserved charges and provide an explicit matrix product form of the grand canonical Gibbs states, which are identical for both models. For one of the models this family of Gibbs states seems to be a complete characterisation of equilibrium (i.e. space and time translation invariant) states, while for the other model we empirically find a sequence of local conserved charges, one for each support size larger than 2, hinting to its algebraic integrability. Finally, we numerically investigate the behaviour of spatio-temporal correlation functions of charge densities, and test the prediction of nonlinear fluctuating hydrodynamics for the model with exactly three local charges. The numerically observed sound velocity deviates from the hydrodynamic prediction. The deviations are either significant, or they decay extremely slowly with the simulation time, which leaves us with an open question for the mechanism of such a glassy behaviour in a deterministic locally interacting system.
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