Lower order terms in Szego type limit theorems on Zoll manifolds

This is a detailed version of the paper math.FA/0212273. The main motivation for this work was to find an explicit formula for a "Szego-regularized" determinant of a zeroth order pseudodifferential operator (PsDO) on a Zoll manifold. The idea of the Szego-regularization was suggested by V. Guillemin and K. Okikiolu. They have computed the second term in a Szego type expansion on a Zoll manifold of an arbitrary dimension. In the present work we compute the third asymptotic term in any dimension. In the case of dimension 2, our formula gives the above mentioned expression for the Szego-redularized determinant of a zeroth order PsDO. The proof uses a new combinatorial identity, which generalizes a formula due to G.A.Hunt and F.J.Dyson. This identity is related to the distribution of the maximum of a random walk with i.i.d. steps on the real line. The proof of this combinatorial identity together with historical remarks and a discussion of probabilistic and algebraic connections has been published separately.Comment: 39 pages, full version, submitte

Polymer reptation and nucleosome repositioning

We consider how beads can diffuse along a chain that wraps them, without becoming displaced from the chain; our proposed mechanism is analogous to the reptation of "stored length" in more familiar situations of polymer dynamics. The problem arises in the case of globular aggregates of proteins (histones) that are wound by DNA in the chromosomes of plants and animals; these beads (nucleosomes) are multiply wrapped and yet are able to reposition themselves over long distances, while remaining bound by the DNA chain.Comment: 9 pages, including 2 figures, to be published in Phys. Rev. Let

Entanglement and criticality in translational invariant harmonic lattice systems with finite-range interactions

We discuss the relation between entanglement and criticality in translationally invariant harmonic lattice systems with non-randon, finite-range interactions. We show that the criticality of the system as well as validity or break-down of the entanglement area law are solely determined by the analytic properties of the spectral function of the oscillator system, which can easily be computed. In particular for finite-range couplings we find a one-to-one correspondence between an area-law scaling of the bi-partite entanglement and a finite correlation length. This relation is strict in the one-dimensional case and there is strog evidence for the multi-dimensional case. We also discuss generalizations to couplings with infinite range. Finally, to illustrate our results, a specific 1D example with nearest and next-nearest neighbor coupling is analyzed.Comment: 4 pages, one figure, revised versio

A length-dynamic Tonks gas theory of histone isotherms

We find exact solutions to a new one-dimensional (1D) interacting particle theory and apply the results to the adsorption and wrapping of polymers (such as DNA) around protein particles (such as histones). Each adsorbed protein is represented by a Tonks gas particle. The length of each particle is a degree of freedom that represents the degree of DNA wrapping around each histone. Thermodynamic quantities are computed as functions of wrapping energy, adsorbed histone density, and bulk histone concentration (or chemical potential); their experimental signatures are also discussed. Histone density is found to undergo a two-stage adsorption process as a function of chemical potential, while the mean coverage by high affinity proteins exhibits a maximum as a function of the chemical potential. However, {\it fluctuations} in the coverage are concurrently maximal. Histone-histone correlation functions are also computed and exhibit rich two length scale behavior.Comment: 5 pp, 3 fig

DNA: From rigid base-pairs to semiflexible polymers

The sequence-dependent elasticity of double-helical DNA on a nm length scale can be captured by the rigid base-pair model, whose strains are the relative position and orientation of adjacent base-pairs. Corresponding elastic potentials have been obtained from all-atom MD simulation and from high-resolution structural data. On the scale of a hundred nm, DNA is successfully described by a continuous worm-like chain model with homogeneous elastic properties characterized by a set of four elastic constants, which have been directly measured in single-molecule experiments. We present here a theory that links these experiments on different scales, by systematically coarse-graining the rigid base-pair model for random sequence DNA to an effective worm-like chain description. The average helical geometry of the molecule is exactly taken into account in our approach. We find that the available microscopic parameters sets predict qualitatively similar mesoscopic parameters. The thermal bending and twisting persistence lengths computed from MD data are 42 and 48 nm, respectively. The static persistence lengths are generally much higher, in agreement with cyclization experiments. All microscopic parameter sets predict negative twist-stretch coupling. The variability and anisotropy of bending stiffness in short random chains lead to non-Gaussian bend angle distributions, but become unimportant after two helical turns.Comment: 13 pages, 6 figures, 6 table

Electric Dipole Moments and Polarizability in the Quark-Diquark Model of the Neutron

For a bound state internal wave function respecting parity symmetry, it can be rigorously argued that the mean electric dipole moment must be strictly zero. Thus, both the neutron, viewed as a bound state of three quarks, and the water molecule, viewed as a bound state of ten electrons two protons and an oxygen nucleus, both have zero mean electric dipole moments. Yet, the water molecule is said to have a nonzero dipole moment strength $d=e\Lambda$ with $\Lambda_{H_2O} \approx 0.385\ \dot{A}$. The neutron may also be said to have an electric dipole moment strength with $\Lambda_{neutron} \approx 0.612\ fm$. The neutron analysis can be made experimentally consistent, if one employs a quark-diquark model of neutron structure.Comment: four pages, two figure

Trio-One: Layering Uncertainty and Lineage on a Conventional DBMS

Trio is a new kind of database system that supports data, uncertainty, and lineage in a fully integrated manner. The first Trio prototype, dubbed Trio-One, is built on top of a conventional DBMS using data and query translation techniques together with a small number of stored procedures. This paper describes Trio-One's translation scheme and system architecture, showing how it efficiently and easily supports the Trio data model and query language

Transition-metal interactions in aluminum-rich intermetallics

The extension of the first-principles generalized pseudopotential theory (GPT) to transition-metal (TM) aluminides produces pair and many-body interactions that allow efficient calculations of total energies. In aluminum-rich systems treated at the pair-potential level, one practical limitation is a transition-metal over-binding that creates an unrealistic TM-TM attraction at short separations in the absence of balancing many-body contributions. Even with this limitation, the GPT pair potentials have been used effectively in total-energy calculations for Al-TM systems with TM atoms at separations greater than 4 AA. An additional potential term may be added for systems with shorter TM atom separations, formally folding repulsive contributions of the three- and higher-body interactions into the pair potentials, resulting in structure-dependent TM-TM potentials. Towards this end, we have performed numerical ab-initio total-energy calculations using VASP (Vienna Ab Initio Simulation Package) for an Al-Co-Ni compound in a particular quasicrystalline approximant structure. The results allow us to fit a short-ranged, many-body correction of the form a(r_0/r)^{b} to the GPT pair potentials for Co-Co, Co-Ni, and Ni-Ni interactions.Comment: 18 pages, 5 figures, submitted to PR