Homogeneous SPC/E water nucleation in large molecular dynamics simulations

We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to $\sim 4\cdot 10^6$ molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to $\sim 10^{19}\,\textrm{cm}^{-3}\textrm{s}^{-1}$, helping close the gap between experimentally measured rates $\sim 10^{17}\,\textrm{cm}^{-3}\textrm{s}^{-1}$. We are also able to precisely measure size distributions, sticking efficiencies, cluster temperatures, and cluster internal densities. We introduce a new functional form to implement the Yasuoka-Matsumoto nucleation rate measurement technique (threshold method). Comparison to nucleation models shows that classical nucleation theory over-estimates nucleation rates by a few orders of magnitude. The semi-phenomenological nucleation model does better, under-predicting rates by at worst, a factor of 24. Unlike what has been observed in Lennard-Jones simulations, post-critical clusters have temperatures consistent with the run average temperature. Also, we observe that post-critical clusters have densities very slightly higher, $\sim 5\%$, than bulk liquid. We re-calibrate a Hale-type $J$ vs. $S$ scaling relation using both experimental and simulation data, finding remarkable consistency in over $30$ orders of magnitude in the nucleation rate range, and $180\,$K in the temperature range.Comment: Accepted for publication in the Journal of Chemical Physic

Arithmetic completely regular codes

In this paper, we explore completely regular codes in the Hamming graphs and related graphs. Experimental evidence suggests that many completely regular codes have the property that the eigenvalues of the code are in arithmetic progression. In order to better understand these "arithmetic completely regular codes", we focus on cartesian products of completely regular codes and products of their corresponding coset graphs in the additive case. Employing earlier results, we are then able to prove a theorem which nearly classifies these codes in the case where the graph admits a completely regular partition into such codes (e.g, the cosets of some additive completely regular code). Connections to the theory of distance-regular graphs are explored and several open questions are posed.Comment: 26 pages, 1 figur

Transversely Polarized Drell-Yan Process and Soft Gluon Resummation in QCD

We calculate the transverse-momentum $Q_T$ spectrum of the dilepton in the transversely polarized Drell-Yan process on the basis of the factorization theorem in QCD. We take into account universal logarithmically enhanced corrections in edge region of phase space by resumming multiple soft-gluon emissions to all orders in the small $Q_T$ region.Comment: 84 pages, 5 figures, Revised version published in Prog.Theor.Phy

The magnetization process of the spin-one triangular-lattice Heisenberg antiferromagnet

We apply the coupled cluster method and exact diagonalzation to study the uniform susceptibility and the ground-state magnetization curve of the triangular-lattice spin-1 Heisenberg antiferromagnet. Comparing our theoretical data for the magnetization curve with recent measurements on the s=1 triangular lattice antiferromagnet Ba3NiSb2O9 we find a very good agreement.Comment: 2 pages, 3 figure

A Viscoelastic model of phase separation

We show here a general model of phase separation in isotropic condensed matter, namely, a viscoelastic model. We propose that the bulk mechanical relaxation modulus that has so far been ignored in previous theories plays an important role in viscoelastic phase separation in addition to the shear relaxation modulus. In polymer solutions, for example, attractive interactions between polymers under a poor-solvent condition likely cause the transient gellike behavior, which makes both bulk and shear modes active. Although such attractive interactions between molecules of the same component exist universally in the two-phase region of a mixture, the stress arising from attractive interactions is asymmetrically divided between the components only in dynamically asymmetric mixtures such as polymer solutions and colloidal suspensions. Thus, the interaction network between the slower components, which can store the elastic energy against its deformation through bulk and shear moduli, is formed. It is the bulk relaxation modulus associated with this interaction network that is primarily responsible for the appearance of the sponge structure peculiar to viscoelastic phase separation and the phase inversion. We demonstrate that a viscoelastic model of phase separation including this new effect is a general model that can describe all types of isotropic phase separation including solid and fluid models as its special cases without any exception, if there is no coupling with additional order parameter. The physical origin of volume shrinking behavior during viscoelastic phase separation and the universality of the resulting spongelike structure are also discussed.Comment: 14 pages, RevTex, To appear in Phys. Rev