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See detailEffective thermodynamics of two interacting underdamped Brownian particles
Herpich, Tim UL; Shayanfard, Kamran; Esposito, Massimiliano UL

in Physical Review. E. (2020), 101

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See detailMeasurability of nonequilibrium thermodynamics in terms of the Hamiltonian of mean force
Strasberg, Philipp; Esposito, Massimiliano UL

in Physical Review. E. (2020), 101(5), 050101

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See detailChemical cloaking
Avanzini, Francesco UL; Falasco, Gianmaria UL; Esposito, Massimiliano UL

in Physical Review. E. (2020), 101(6), 060102

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See detailDerivation of an exact, nonequilibrium framework for nucleation: Nucleation is a priori neither diffusive nor Markovian
Kuhnhold, Anja; Meyer, Hugues UL; Amati, Graziano et al

in Physical Review. E. (2019), 100(5), 052140

We discuss the structure of the equation of motion that governs nucleation processes at first order phase transitions. From the underlying microscopic dynamics of a nucleating system, we derive by means ... [more ▼]

We discuss the structure of the equation of motion that governs nucleation processes at first order phase transitions. From the underlying microscopic dynamics of a nucleating system, we derive by means of a nonequilibrium projection operator formalism the equation of motion for the size distribution of the nuclei. The equation is exact, ie, the derivation does not contain approximations. To assess the impact of memory, we express the equation of motion in a form that allows for direct comparison to the Markovian limit. As a numerical test, we have simulated crystal nucleation from a supersaturated melt of particles interacting via a Lennard-Jones potential. The simulation data show effects of non-Markovian dynamics. [less ▲]

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See detailUniversality in driven Potts models
Herpich, Tim UL; Esposito, Massimiliano UL

in Physical Review. E. (2019)

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See detailSimulation study of the electrical tunneling network conductivity of suspensions of hard spherocylinders
Atashpendar, Arshia; Arora, Sarthak; Rahm, Alexander UL et al

in Physical Review. E. (2018), 98

Using Monte Carlo simulations, we investigate the electrical conductivity of networks of hard rods with aspect ratios 10 and 20 as a function of the volume fraction for two tunneling conductance models ... [more ▼]

Using Monte Carlo simulations, we investigate the electrical conductivity of networks of hard rods with aspect ratios 10 and 20 as a function of the volume fraction for two tunneling conductance models. For a simple, orientationally independent tunneling model, we observe nonmonotonic behavior of the bulk conductivity as a function of volume fraction at the isotropic-nematic transition. However, this effect is lost if one allows for anisotropic tunneling. The relative conductivity enhancement increases exponentially with volume fraction in the nematic phase. Moreover, we observe that the orientational ordering of the rods in the nematic phase induces an anisotropy in the conductivity, i.e., enhanced values in the direction of the nematic director field. We also compute the mesh number of the Kirchhoff network, which turns out to be a simple alternative to the computationally expensive conductivity of large systems in order to get a qualitative estimate. [less ▲]

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See detailOptical and x-ray evidence of the de vries sm-A*-sm-C* transition in a non-layer shrinkage ferroelectric liquid crystal with very weak interlayer tilt correlation
Lagerwall, Jan UL; Giesselmann, Frank; Radcliffe, M. D.

in Physical Review. E. (2002), 66(3), 031703

A non-layer-shrinkage fluorinated ferroelectric liquid crystal compound, 8422@2F3\#, has been characterized by means of optical, x-ray, and calorimetric methods. The orientational distribution within ... [more ▼]

A non-layer-shrinkage fluorinated ferroelectric liquid crystal compound, 8422@2F3\#, has been characterized by means of optical, x-ray, and calorimetric methods. The orientational distribution within macroscopic volumes determined through wide-angle x-ray scattering and birefringence measurements, was found to be identical in the Sm-A* and helical Sm-C* phases. Together with the absence of layer shrinkage, this constitutes strong evidence that the second-order Sm-A*–Sm-C* transition in this material is well described by the diffuse cone model of de Vries. The absolute values of the layer spacing show that the molecules aggregate to antiparallel pairs. The molecular interaction across the layer boundaries will then occur only between fluorine atoms, leading to unusually weak interlayer tilt direction correlation. This explains the experimental observations of a very easily disturbed Sm-C* helix and a peculiar surface-stabilized texture. Tilt angle and birefringence values as a function of field and temperature have been evaluated in the Sm-A* and Sm-C* phases and the results corroborate the conclusions from the x-ray investigations. [less ▲]

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