DYNGA: a general purpose QM-MM-MD program. I. Application to water

We present a general purpose QM-MM-MD engine (DYNGA) designed to test alternative hybrid Hamiltonians geared towards the treatment of problems of interest in structural biology including the use of experimental data constraints. In this first presentation we use DYNGA to explore the behaviour of a traditional QM-MM approach in the treatment of the water—water interaction. We find the potential energy hypersurface for the water dimer computed with the HF 4–31G*/TIP3P hybrid Hamiltonian tends to be too flat. We also explore the effect of using traditional QM-MM techniques on proton wires and conclude there is a need for improvement, possibly addressed by using polarizable force fields.     

A study of inclusive Λ polarization from hydrogen and other targets at 28 GeV

We report measurements of inclusive Λ polarization, produced by unpolarized protons incident at several momenta (20, 24, and 28.5 GeV/c) onto hydrogen, deuterium, and beryllium targets. A large polarization from hydrogen, P = ?0.34 ± 0.06 at pP_T = 1.2 GeV/c, establishes the fact that inclusive Λ polarization arises from p-p collisions.     

A family of simple C1-algebras related to weighted shift operators

In this paper we study a family of C¹-algebras which occurs naturally in the study of C¹-algebras generated by weighted shifts. We show that these algebras are simple modulo the compacts, and while they share many of the properties of uniformly hyperfinite C¹-algebras, they are not approximately finite dimensional.     

Quantum measures and states on Jordan algebras

A problem of Mackey for von Neumann algebras has been settled by the conjunction of the early work of Gleason and the recent advances of Christensen and Yeadon. We show that Mackey's conjecture holds in much greater generality. LetA be a JBW-algebra and letL be the lattice of all projections inA. A quantum measure onL is a countably additive map,m, fromL into the real numbers. Our results imply thatm always has a unique extension to a bounded linear functional onA, provided thatA has no TypeI ₂ direct summand.     

Derivations on a C1-algebra and its double dual

Let A be a C¹-algebra and X a Banach A-module. The module action of A on X gives rise to module actions of $\text{A}{}^7$ on $\text{X}{}^1$ and $\text{X}{}^7$, and derivations of A into X (resp. $\text{X}{}^1$) extend to derivations of $\text{A}{}^7$ into $\text{X}{}^7$ (resp. $\text{X}{}^1$). If A is nuclear, and X is a dual Banach A-module with $\text{X}{}^1$ weakly sequentially complete, then every derivation of A into X is inner. Under the same hypothesis on A, the extension to the finite part of $\text{A}{}^7$ of any derivation of A into any dual Banach A-module is inner, as are all derivations of A into $\text{A}{}^1$. Every derivation of a semifinite von Neumann algebra into its predual is inner.     

Azimuthal angle correlations for rapidity separated Hadron pairs in d+Au collisions at square root of sNN=200 GeV

Deuteron-gold (d+Au) collisions at the Relativistic Heavy Ion Collider provide ideal platforms for testing QCD theories in dense nuclear matter at high energy. In particular, models suggesting strong saturation effects for partons carrying small nucleon momentum fraction (x) predict modifications to jet production at forward rapidity (deuteron-going direction) in d+Au collisions. We report on two-particle azimuthal angle correlations between charged hadrons at forward/backward (deuteron/gold going direction) rapidity and charged hadrons at midrapidity in d+Au and p+p collisions at square root of sNN=200 GeV. Jet structures observed in the correlations are quantified in terms of the conditional yield and angular width of away-side partners. The kinematic region studied here samples partons in the gold nucleus with x~0.1 to ~0.01. Within this range, we find no x dependence of the jet structure in d+Au collisions.     

PAST AND FUTURE MANAGEMENT OF A COLLAPSED FISHERY: THE BAY OF BISCAY ANCHOVY

Abstract We analyze the efficiency of the international management of the Bay of Biscay anchovy. While a sharing agreement between France and Spain has been in place since 1992, the fish stock collapsed in 2005 and the fishery closed from 2005 to spring 2010. We consider differences in production technologies between both countries and calibrate our model using data from 1987 to 2009. Our results suggest two sources of rent dissipation under the existing sharing agreement: inefficient quota allocation and production inefficiencies due to inflexible national regulations. We discuss several alternatives to improve management.     

Source breakup dynamics in Au + Au collisions at sqrt[s(NN)]=200 GeV via three-dimensional two-pion source imaging

A three-dimensional correlation function obtained from midrapidity, low p(T), pion pairs in central Au+Au collisions at sqrt[s(NN)]=200 GeV is studied. The extracted model-independent source function indicates a long range tail in the directions of the pion pair transverse momentum (out) and the beam (long). A proper breakup time tau(0) ~ 9 fm/c and a mean proper emission duration Delta tau ~ 2 fm/c, leading to sizable emission time differences ({|Delta t(LCM)|} approximately 12 fm/c), are required to allow models to be successfully matched to these tails. The model comparisons also suggest an outside-in "burning" of the emission source reminiscent of many hydrodynamical models.