The Weighted Mean Curvature Derivative of a Space-Filling Diagram

Representing an atom by a solid sphere in $3$-dimensional Euclidean space, we get the space-filling diagram of a molecule by taking the union. Molecular dynamics simulates its motion subject to bonds and other forces, including the solvation free energy. The morphometric approach [HRC13,RHK06] writes the latter as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted mean curvature. Together with the derivatives of the weighted volume in [EdKo03], the weighted area in [BEKL04], and the weighted Gaussian curvature [AkEd19], this yields the derivative of the morphometric expression of the solvation free energy.Comment: 20 pages, 4 figure

The weighted Gaussian curvature derivative of a space-filling diagram

The morphometric approach [11, 14] writes the solvation free energy as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted Gaussian curvature. Together with the derivatives of the weighted volume in [7], the weighted area in [4], and the weighted mean curvature in [1], this yields the derivative of the morphometric expression of solvation free energy

The Weighted Gaussian Curvature Derivative of a Space-Filling Diagram

The morphometric approach [HRC13,RHK06] writes the solvation free energy as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted Gaussian curvature. Together with the derivatives of the weighted volume in [EdKo03], the weighted area in [BEKL04], and the weighted mean curvature in [AkEd19], this yields the derivative of the morphometric expression of solvation free energy.Comment: 16 pages, 2 figure

From rubber bands to rational maps: A research report

This research report outlines work, partially joint with Jeremy Kahn and Kevin Pilgrim, which gives parallel theories of elastic graphs and conformal surfaces with boundary. One one hand, this lets us tell when one rubber band network is looser than another, and on the other hand tell when one conformal surface embeds in another. We apply this to give a new characterization of hyperbolic critically finite rational maps among branched self-coverings of the sphere, by a positive criterion: a branched covering is equivalent to a hyperbolic rational map if and only if there is an elastic graph with a particular "self-embedding" property. This complements the earlier negative criterion of W. Thurston.Comment: 52 pages, numerous figures. v2: New example

Thermodynamic Relations in Correlated Systems

Several useful thermodynamic relations are derived for metal-insulator transitions, as generalizations of the Clausius-Clapeyron and Eherenfest theorems. These relations hold in any spatial dimensions and at any temperatures. First, they relate several thermodynamic quantities to the slope of the metal-insulator phase boundary drawn in the plane of the chemical potential and the Coulomb interaction in the phase diagram of the Hubbard model. The relations impose constraints on the critical properties of the Mott transition. These thermodynamic relations are indeed confirmed to be satisfied in the cases of the one- and two-dimensional Hubbard models. One of these relations yields that at the continuous Mott transition with a diverging charge compressibility, the doublon susceptibility also diverges. The constraints on the shapes of the phase boundary containing a first-order metal-insulator transition at finite temperatures are clarified based on the thermodynamic relations. For example, the first-order phase boundary is parallel to the temperature axis asymptotically in the zero temperature limit. The applicability of the thermodynamic relations are not restricted only to the metal-insulator transition of the Hubbard model, but also hold in correlated systems with any types of phases in general. We demonstrate such examples in an extended Hubbard model with intersite Coulomb repulsion containing the charge order phase.Comment: 10 pages, 9 figure

Induced Chern-Simons term of a paired electron state in the quantum Hall system

The induced Chern-Simons term for a paired electron state is calculated in the quantum Hall system by using a field theory on the von Neumann lattice. The coefficient of the Chern-Simons term, which is the Hall conductance, has not only the usual term proportional to a filling factor due to P (parity) & T (time reversal) symmetry breaking but also correction terms due to P & T & U(1) symmetry breaking. The correction term essentially comes from the Nambu-Goldstone mode and depends on an infrared limit. It is shown that the correction term is related to a topological number of a gap function in the momentum space.Comment: 26 pages, 6 figure

Chaotic saddles in nonlinear modulational interactions in a plasma

A nonlinear model of modulational processes in the subsonic regime involving a linearly unstable wave and two linearly damped waves with different damping rates in a plasma is studied numerically. We compute the maximum Lyapunov exponent as a function of the damping rates in a two-parameter space, and identify shrimp-shaped self-similar structures in the parameter space. By varying the damping rate of the low-frequency wave, we construct bifurcation diagrams and focus on a saddle-node bifurcation and an interior crisis associated with a periodic window. We detect chaotic saddles and their stable and unstable manifolds, and demonstrate how the connection between two chaotic saddles via coupling unstable periodic orbits can result in a crisis-induced intermittency. The relevance of this work for the understanding of modulational processes observed in plasmas and fluids is discussed.Comment: Physics of Plasmas, in pres

The Optical Counterpart to the Accreting Millisecond X-ray Pulsar SAX J1748.9-2021 in the Globular Cluster NGC 6440

We used a combination of deep optical and Halpha images of the Galactic globular cluster NGC 6440, acquired with the Hubble Space Telescope, to identify the optical counterpart to the accreting millisecond X-ray pulsar SAX J1748.9-2021during quiescence. A strong Halpha emission has been detected from a main sequence star (hereafter COM-SAX J1748.9-2021) located at only 0.15" from the nominal position of the X-ray source. The position of the star also agrees with the optical counterpart found by Verbunt et al. (2000) during an outburst. We propose this star as the most likely optical counterpart to the binary system. By direct comparison with isochrones, we estimated that COM-SAX J1748.9-2021 has a mass of 0.70 Msun - 0.83 Msun, a radius of 0.88 pm 0.02 Rsun and a superficial temperature of 5250pm80 K. These parameters combined with the orbital characteristics of the binary suggest that the system is observed at a very low inclination angle (~8 deg -14 deg) and that the star is filling or even overflowing its Roche Lobe. This, together with the equivalent width of the Halpha emission (~20 Ang), suggest possible on-going mass transfer. The possibile presence of such a on-going mass transfer during a quiescence state also suggests that the radio pulsar is not active yet and thus this system, despite its similarity with the class of redback millisecond pulsars, is not a transitional millisecond pulsar.Comment: 8 pages, 6 figures. Accepted for publication in Ap