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Register a new userHeat capacity of liquids: A hydrodynamic approach
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We study autocorrelation functions of energy, heat and entropy densities obtained by molecular dynamics simulations of supercritical Ar and compare them with the predictions of the hydrodynamic theory. It is shown that the predicted by the hydrodynamic theory single-exponential shape of the entropy density autocorrelation functions is perfectly reproduced for small wave numbers by the molecular dynamics simulations and permits the calculation of the wavenumber-dependent specific heat at constant pressure. The estimated wavenumber-dependent specific heats at constant volume and pressure, $C_{v}(k)$ and $C_{p}(k)$, are shown to be in the long-wavelength limit in good agreement with the macroscopic experimental values of $C_{v}$ and $C_{p}$ for the studied thermodynamic points of supercritical Ar.
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We study in this paper the possible existence of Roskilde-simple liquids and their isomorphs in a rough-wall nanoconfinement. Isomorphs are curves in the thermodynamic phase diagram along which structure and dynamics are invariant in suitable nondimensionalized units. Two model liquids using molecular dynamics computer simulations are considered: the single-component Lennard-Jones (LJ) liquid and the Kob-Andersen binary LJ mixture, both of which in the bulk phases are known to have isomorphs. Nanoconfinement is implemented by adopting a slit-pore geometry with fcc crystalline walls; this implies inhomogenous density profiles both parallel and perpendicular to the confining walls. Despite this fact and consistent with an earlier study [Ingebrigtsen et. al, Phys. Rev. Lett. 111, 235901 (2013)] we find that these nanoconfined liquids have isomorphs to a good approximation. More specifically, we show good scaling of inhomogenous density profiles, mean-square displacements, and higher-order structures probed using the topological cluster classification algorithm along the isomorphs. From this study, we conjecture that in experiments, Roskilde-simple liquids may exhibit isomorphs if confined in a suitable manner, for example with carbon nanotubes. Our study thus provides an alternative framework for understanding nanoconfined liquids.
We present a hydrodynamic theory of polar active smectics, for systems both with and without number conservation. For the latter, we find quasi long-ranged smectic order in d=2 and long-ranged smectic order in d=3. In d=2 there is a Kosterlitz-Thouless type phase transition from the smectic phase to the ordered fluid phase driven by increasing the noise strength. For the number conserving case, we find that giant number fluctuations are greatly suppressed by the smectic order; that smectic order is long-ranged in d=3; and that nonlinear effects become important in d=2.
A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer liquids. The approach is analytical, and for this reason is transferable. It is here applied to determine the structure of several polymeric systems, which have different parameter values, such as molecular length, monomeric structure, local flexibility, and thermodynamic conditions. When the pair distribution function obtained from this procedure is compared with the results from a full atomistic simulation, it shows quantitative agreement. Moreover, the multiscale procedure accurately captures both large and local scale properties while remaining computationally advantageous.
We experimentally and theoretically investigate the collective behavior of three colloidal particles that are driven by a constant force along a toroidal trap. Due to hydrodynamic interactions, a characteristic limit cycle is observed. When we additionally apply a periodic sawtooth potential, we find a novel caterpillar-like motional sequence that is dominated by hydrodynamic interactions and promotes the surmounting of potential barriers by the particles.
The aim of this work is to study the problem of the existence of a fundamental relation between the interfacial tension of a system of two partially miscible liquids and the surface tensions of the pure substances. It is shown that these properties cannot be correlated from the physical point of view. However, an accurate relation between them may be developed using a mathematical artifact. In the light of this work, the basis of the empirical formula of Girifalco and Good is examined. The weakness of this formula as well as the approximation leading to it are exposed and discussed and, a new equation connecting interfacial and surface tensions is proposed.
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