3,049 research outputs found

    A Numerical Method to solve Optimal Transport Problems with Coulomb Cost

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    In this paper, we present a numerical method, based on iterative Bregman projections, to solve the optimal transport problem with Coulomb cost. This is related to the strong interaction limit of Density Functional Theory. The first idea is to introduce an entropic regularization of the Kantorovich formulation of the Optimal Transport problem. The regularized problem then corresponds to the projection of a vector on the intersection of the constraints with respect to the Kullback-Leibler distance. Iterative Bregman projections on each marginal constraint are explicit which enables us to approximate the optimal transport plan. We validate the numerical method against analytical test cases

    A Statistical Approach to Multifield Inflation: Many-field Perturbations Beyond Slow Roll

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    We study multifield contributions to the scalar power spectrum in an ensemble of six-field inflationary models obtained in string theory. We identify examples in which inflation occurs by chance, near an approximate inflection point, and we compute the primordial perturbations numerically, both exactly and using an array of truncated models. The scalar mass spectrum and the number of fluctuating fields are accurately described by a simple random matrix model. During the approach to the inflection point, bending trajectories and violations of slow roll are commonplace, and 'many-field' effects, in which three or more fields influence the perturbations, are often important. However, in a large fraction of models consistent with constraints on the tilt the signatures of multifield evolution occur on unobservably large scales. Our scenario is a concrete microphysical realization of quasi-single-field inflation, with scalar masses of order HH, but the cubic and quartic couplings are typically too small to produce detectable non-Gaussianity. We argue that our results are characteristic of a broader class of models arising from multifield potentials that are natural in the Wilsonian sense.Comment: 39 pages, 17 figures. References added. Matches version published in JCA

    Stable Frank-Kasper phases of self-assembled, soft matter spheres

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    Single molecular species can self-assemble into Frank Kasper (FK) phases, finite approximants of dodecagonal quasicrystals, defying intuitive notions that thermodynamic ground states are maximally symmetric. FK phases are speculated to emerge as the minimal-distortional packings of space-filling spherical domains, but a precise quantitation of this distortion and how it affects assembly thermodynamics remains ambiguous. We use two complementary approaches to demonstrate that the principles driving FK lattice formation in diblock copolymers emerge directly from the strong-stretching theory of spherical domains, in which minimal inter-block area competes with minimal stretching of space-filling chains. The relative stability of FK lattices is studied first using a diblock foam model with unconstrained particle volumes and shapes, which correctly predicts not only the equilibrium {\sigma} lattice, but also the unequal volumes of the equilibrium domains. We then provide a molecular interpretation for these results via self-consistent field theory, illuminating how molecular stiffness regulates the coupling between intra-domain chain configurations and the asymmetry of local packing. These findings shed new light on the role of volume exchange on the formation of distinct FK phases in copolymers, and suggest a paradigm for formation of FK phases in soft matter systems in which unequal domain volumes are selected by the thermodynamic competition between distinct measures of shape asymmetry.Comment: 40 pages, 22 figure

    The effect of internal and global modes on the radial distribution function of confined semiflexible polymers

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    The constraints imposed by nano- and microscale confinement on the conformational degrees of freedom of thermally fluctuating biopolymers are utilized in contemporary nano-devices to specifically elongate and manipulate single chains. A thorough theoretical understanding and quantification of the statistical conformations of confined polymer chains is thus a central concern in polymer physics. We present an analytical calculation of the radial distribution function of harmonically confined semiflexible polymers in the weakly bending limit. Special emphasis has been put on a proper treatment of global modes, i.e. the possibility of the chain to perform global movements within the channel. We show that the effect of these global modes significantly impacts the chain statistics in cases of weak and intermediate confinement. Comparing our analytical model to numerical data from Monte Carlo simulations we find excellent agreement over a broad range of parameters.Comment: 6 pages, 3 figures typo corrected, slightly revised line of reasoning, results unchange

    Semiflexible polymers: Dependence on ensemble and boundary orientations

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    We show that the mechanical properties of a worm-like-chain (WLC) polymer, of contour length LL and persistence length \l such that t=L/\l\sim{\cal O}(1), depend both on the ensemble and the constraint on end-orientations. In the Helmholtz ensemble, multiple minima in free energy near t=4t=4 persists for all kinds of orientational boundary conditions. The qualitative features of projected probability distribution of end to end vector depend crucially on the embedding dimensions. A mapping of the WLC model, to a quantum particle moving on the surface of an unit sphere, is used to obtain the statistical and mechanical properties of the polymer under various boundary conditions and ensembles. The results show excellent agreement with Monte-Carlo simulations.Comment: 15 pages, 15 figures; version accepted for publication in Phys. Rev. E; one new figure and discussions adde

    Monsters, black holes and the statistical mechanics of gravity

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    We review the construction of monsters in classical general relativity. Monsters have finite ADM mass and surface area, but potentially unbounded entropy. From the curved space perspective they are objects with large proper volume that can be glued on to an asymptotically flat space. At no point is the curvature or energy density required to be large in Planck units, and quantum gravitational effects are, in the conventional effective field theory framework, small everywhere. Since they can have more entropy than a black hole of equal mass, monsters are problematic for certain interpretations of black hole entropy and the AdS/CFT duality. In the second part of the paper we review recent developments in the foundations of statistical mechanics which make use of properties of high-dimensional (Hilbert) spaces. These results primarily depend on kinematics -- essentially, the geometry of Hilbert space -- and are relatively insensitive to dynamics. We discuss how this approach might be adopted as a basis for the statistical mechanics of gravity. Interestingly, monsters and other highly entropic configurations play an important role.Comment: 9 pages, 4 figures, revtex; invited Brief Review to be published in Modern Physics Letters

    Physical origin underlying the entropy loss upon hydrophobic hydration

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    The hydrophobic effect (HE) is commonly associated with the demixing of oil and water at ambient conditions and plays the leading role in determining the structure and stability of biomolecular assembly in aqueous solutions. On the molecular scale HE has an entropic origin. It is believed that hydrophobic particles induce order in the surrounding water by reducing the volume of con- figuration space available for hydrogen bonding. Here we show with computer simulation results that this traditional picture is not correct. Analyzing collective fluctuations in water clusters we are able to provide a fundamentally new picture of HE based on pronounced many-body correlations affecting the switching of hydrogen bonds between molecules. These correlations emerge as a non-local compensation of reduced fluctuations of local electrostatic fields in the presence of an apolar solute

    Protein-Mediated DNA Loops: Effects of Protein Bridge Size and Kinks

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    This paper focuses on the probability that a portion of DNA closes on itself through thermal fluctuations. We investigate the dependence of this probability upon the size r of a protein bridge and/or the presence of a kink at half DNA length. The DNA is modeled by the Worm-Like Chain model, and the probability of loop formation is calculated in two ways: exact numerical evaluation of the constrained path integral and the extension of the Shimada and Yamakawa saddle point approximation. For example, we find that the looping free energy of a 100 base pairs DNA decreases from 24 kT to 13 kT when the loop is closed by a protein of r = 10 nm length. It further decreases to 5 kT when the loop has a kink of 120 degrees at half-length.Comment: corrected typos and figures, references updated; 13 pages, 7 figures, accepted for publication in Phys. Rev.
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