Computers and Liquid State Statistical Mechanics

The advent of electronic computers has revolutionised the application of statistical mechanics to the liquid state. Computers have permitted, for example, the calculation of the phase diagram of water and ice and the folding of proteins. The behaviour of alkanes adsorbed in zeolites, the formation of liquid crystal phases and the process of nucleation. Computer simulations provide, on one hand, new insights into the physical processes in action, and on the other, quantitative results of greater and greater precision. Insights into physical processes facilitate the reductionist agenda of physics, whilst large scale simulations bring out emergent features that are inherent (although far from obvious) in complex systems consisting of many bodies. It is safe to say that computer simulations are now an indispensable tool for both the theorist and the experimentalist, and in the future their usefulness will only increase. This chapter presents a selective review of some of the incredible advances in condensed matter physics that could only have been achieved with the use of computers.Comment: 22 pages, 2 figures. Chapter for a boo

Constraints on OH Megamaser Excitation from a Survey of OH Satellite Lines

We report the results of a full-Stokes survey of all four 18 cm OH lines in 77 OH megamasers (OHMs) using the Arecibo Observatory. This is the first survey of OHMs that included observations of the OH satellite lines; only 4 of the 77 OHMs have existing satellite line observations in the literature. In 5 sources, satellite line emission is detected, with 3 of the 5 sources re-detections of previously published sources. The 2 sources with new detections of satellite line emission are IRAS F10173+0829, which was detected at 1720 MHz, and IRAS F15107+0724, for which both the 1612 MHz and 1720 MHz lines were detected. In IRAS F15107+0724, the satellite lines are partially conjugate, as 1720 MHz absorption and 1612 MHz emission have the same structure at some velocities within the source, along with additional broader 1612 MHz emission. This is the first observed example of conjugate satellite lines in an OHM. In the remaining sources, no satellite line emission is observed. The detections and upper limits are generally consistent with models of OHM emission in which all of the 18 cm OH lines have the same excitation temperature. There is no evidence for a significant population of strong satellite line emitters among OHMs.Comment: 9 pages, accepted to Ap

Parsec-scale magnetic fields in Arp 220

We present the first very-long-baseline interferometry (VLBI) detections of Zeeman splitting in another galaxy. We used Arecibo Observatory, the Green Bank Telescope, and the Very Long Baseline Array to perform dual-polarization observations of OH maser lines in the merging galaxy Arp 220. We measured magnetic fields of $\sim$1-5 mG associated with three roughly parsec-sized clouds in the nuclear regions of Arp 220. Our measured magnetic fields have comparable strengths and the same direction as features at the same velocity identified in previous Zeeman observations with Arecibo alone. The agreement between single dish and VLBI results provides critical validation of previous Zeeman splitting observations of OH megamasers that used a single large dish. The measured magnetic field strengths indicate that magnetic energy densities are comparable to gravitational energy in OH maser clouds. We also compare our total intensity results to previously published VLBI observations of OH megamasers in Arp 220. We find evidence for changes in both structure and amplitude of the OH maser lines that are most easily explained by variability intrinsic to the masing region, rather than variability produced by interstellar scintillation. Our results demonstrate the potential for using high-sensitivity VLBI to study magnetic fields on small spatial scales in extragalactic systems.Comment: 9 pages, accepted to MNRA

Path integral Monte Carlo simulations for rigid rotors and their application to water

In this work the path integral formulation for rigid rotors, proposed by M\"user and Berne [Phys. Rev. Lett. {\bf 77}, 2638 (1996)], is described in detail. It is shown how this formulation can be used to perform Monte Carlo simulations of water. Our numerical results show that whereas some properties of water can be accurately reproduced using classical simulations with an empirical potential which, implicitly, includes quantum effects, other properties can only be described quantitatively when quantum effects are explicitly incorporated. In particular, quantum effects are extremely relevant when it comes to describing the equation of state of the ice phases at low temperatures, the structure of the ices at low temperatures, and the heat capacity of both liquid water and the ice phases. They also play a minor role in the relative stability of the ice phases.Comment: to appear in Molecular Physics (2011