Phase Transitions in Hexane Monolayers Physisorbed onto Graphite

We report the results of molecular dynamics (MD) simulations of a complete monolayer of hexane physisorbed onto the basal plane of graphite. At low temperatures the system forms a herringbone solid. With increasing temperature, a solid to nematic liquid crystal transition takes place at $T_1 = 138 \pm 2$K followed by another transition at $T_2 = 176 \pm 3$K into an isotropic fluid. We characterize the different phases by calculating various order parameters, coordinate distributions, energetics, spreading pressure and correlation functions, most of which are in reasonable agreement with available experimental evidence. In addition, we perform simulations where the Lennard-Jones interaction strength, corrugation potential strength and dihedral rigidity are varied in order to better characterize the nature of the two transitions through. We find that both phase transitions are facilitated by a ``footprint reduction'' of the molecules via tilting, and to a lesser degree via creation of gauche defects in the molecules.Comment: 18 pages, eps figures embedded, submitted to Phys. Rev.

Ground-state properties of trapped Bose-Fermi mixtures: role of exchange-correlation

We introduce Density Functional Theory for inhomogeneous Bose-Fermi mixtures, derive the associated Kohn-Sham equations, and determine the exchange-correlation energy in local density approximation. We solve numerically the Kohn-Sham system and determine the boson and fermion density distributions and the ground-state energy of a trapped, dilute mixture beyond mean-field approximation. The importance of the corrections due to exchange--correlation is discussed by comparison with current experiments; in particular, we investigate the effect of of the repulsive potential energy contribution due to exchange--correlation on the stability of the mixture against collapse.Comment: 6 pages, 4 figures (final version as published in Physical Review

Electronic properties of molecular solids: the peculiar case of solid Picene

Recently, a new organic superconductor, K-intercalated Picene with high transition temperatures $T_c$ (up to 18\,K) has been discovered. We have investigated the electronic properties of the undoped relative, solid picene, using a combination of experimental and theoretical methods. Our results provide detailed insight into the occuopied and unoccupied electronic states

Threshold Corrections in Precision LHC Physics: QED otimes QCD

With an eye toward LHC processes in which theoretical precisions of 1 percent are desired, we introduce the theory of the simultaneous YFS resummation of QED and QCD to compute the size of the expected resummed soft radiative threshold effects in precision studies of heavy particle production at the LHC. Our results show that both QED and QCD soft threshold effects must be controlled to be on the conservative side to achieve such precision goals.Comment: 4 pages, no figures; presented by B.F.L. Ward in DPF200

Definition of Terms, Style, and Conventions Used in A.S.P.E.N. Guidelines and Standards

Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/141145/1/ncp0281.pd

A jet-cloud interaction in the 3C 196 environment

Powerful radio galaxies and radio-loud quasars at high redshifts are frequently associated with extended emission-line regions (EELRs). Here we investigate the [O II] EELR around the quasar 3C 196 at z=0.871 using integral field spectroscopy. We also detect extended [Ne II] emission at a distance of about 30 kpc from the core. The emission is aligned with the radio hot spots and shows a redshifted and a blueshifted component with a velocity difference of ~800 km s^-1. The alignment effect and large velocities support the hypothesis that the EELR is caused by a jet-cloud interaction, which is furthermore indicated by the presence of a pronounced bend in the radio emission at the location of the radio hot spots. We also report observations of two other systems which do not show as clear indications of interactions. We find a weaker alignment of an [O II] EELR from the z=0.927 quasar 3C 336, while no EELR is found around the core-dominated quasar OI 363 at z=0.63.Comment: 7 pages, accepted for publication in A&

One-loop corrections to the Drell-Yan process in SANC (I). The charged current case

Radiative corrections to the charged current Drell-Yan processes are revisited. Complete one-loop electroweak corrections are calculated within the automatic SANC system. Electroweak scheme dependence and the choice of the factorization scale are discussed. Comparisons with earlier calculations are presented.Comment: extended version submitted to EPJ

A Software Platform for Post-Processing Waveform-Based NDE

Ultrasonic, microwave, and terahertz nondestructive evaluation imaging systems generally require the acquisition of waveforms at each scan point to form an image. For such systems, signal and image processing methods are commonly needed to extract information from the waves and improve resolution of, and highlight, defects in the image. Since some similarity exists for all waveform-based NDE methods, it would seem a common software platform containing multiple signal and image processing techniques to process the waveforms and images makes sense where multiple techniques, scientists, engineers, and organizations are involved. This presentation describes NASA Glenn Research Center's approach in developing a common software platform for processing waveform-based NDE signals and images. This platform is currently in use at NASA Glenn and at Lockheed Martin Michoud Assembly Facility for processing of pulsed terahertz and ultrasonic data. Highlights of the software operation will be given. A case study will be shown for use with terahertz data. The authors also request scientists and engineers who are interested in sharing customized signal and image processing algorithms to contribute to this effort by letting the authors code up and include these algorithms in future releases