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Milk and other dietary influences on coronary heart disease

While dietary links to ischemic heart disease (IHD) and coronary heart disease (CHD) mortality have been studied for many years, the correlation has not clearly been resolved, especially for older populations. In this paper, a multi-country statistical approach involving 32 countries is used to find dietary links to IHD and CHD for various age groups aged 35+. For IHD, milk carbohydrates were found to have the highest statistical association for males aged 35+ and females aged 65+, while for females aged 35-64, sugar was found to have the highest association. In the case of CHD, non-fat milk was found to have the highest association for males aged 45+ and females aged 75+, while for females 65-74, milk carbohydrates and sugar had the highest associations, and for females aged 45-64, sugar had the highest association. A number of mechanisms have been proposed in the literature that might explain the milk carbohydrate or non-fat milk association. One of the most prominent theories is that animal proteins contribute to homocysteine (Hcy) production; however, milk more than meat lacks adequate B vitamins to convert Hcy to useful products. Lactose and calcium in conjunction with Hcy from consumption of non-fat milk may also contribute to calcification of the arteries.

Coronary Disease/etiology↗

Comparisons between theory and observation of active region tilts

Active regions in the Sun are generally tilted relative to the azimuthal direction, with the leading side being closer to the equator than the following side. This tilts is known to increase with latitude. Recently, theoretical calculations of the dynamics of emerging, initially toroidal active-region flux tubes have been done, showing that the observed tilts can be explained by the Coriolis force acting on a diverging flow field in emerging flux loops. The calculations of Fan, Fisher, & McClymont predict that alpha proportional to Phi(exp 1/4) B(sub 0 exp -5/4) sin theta, where alpha is the tilt angle of the active region, B(sub 0) is the magnetic field strength of the active-region flux tube near the base of the convection zone, and phi is the amount of magnetic flux in the tube. We compare these theoretical predictions with the behavior of a sample of 24,701 sunspot groups observed at Mount Wilson over a period of 68 yr, using the polarity separation distance d as a proxy for phi. Our major findings are given.

Fisher, G. H.↗

Modeling the Extended Neutral Atmosphere and Plasma Environment near Saturn

In the three years of this study we have published five papers in refereed journals. We have first examined satellite sources and their contribution to the observed neutral cloud. Based on the total calculated satellite sources and the spatial distribution of sputtered H20, we concluded that they cannot produce observed OH cloud. The E-ring contribution has been also studied in detail.In order to produce observed OH cloud we suggested that the E-ring might be the dominant source in inner Saturnian magnetosphere. We proposed a possible resupply mechanism which is needed to keep both E-ring and OH cloud in the present state: collisions between E-ring grains and remains of a disrupted satellite near Enceladus Lagrangian points. In this scenario a large amount of material, ranging from a few micrometers to hundred of meters, which is optically invisible at present, is likely to exist there. The fourth paper compares the magnetosheaths of the outer planets. A surprising result is that the hot proton component comprises about 40% of the total density, much larger than predicted by shock theory. Gas dynamic models of the boundaries show that the magnetospheres of Jupiter and Saturn are flattened at the poles. The last paper was published in GRL and is the first based of the model of neutrals developed as a main goal of this grant and which is now operational.This Monte Carlo collision code self- consistently determines the neutral distribution. from the rings and satellites until they are lost by ionization, by collisions with rings, moons, or Saturn, or by escape from Saturn. Our model is unique in that it includes the effects of plasma chemistry and both plasma-neutral and neutral neutral collisions to determine the dynamical evolution of the water group neutrals in Saturn's magnetosphere. The lifetimes of the neutrals against loss to photoionization, charge exchange, electron dissociation and electron impact dissociation are based on the model given by (Richardson et al. 1998) and vary with position in the magnetosphere. The dominant neutral dissociation channels H20->OH+H, H20-> O+H2, and OH->O+H2 are considered.

Richardson, John D.↗

Spray measurements of aerothermodynamic effect on disintegrating liquid jets

An experimental investigation was made to determine the effect of atomizing gas mass flux and temperature on liquid jet breakup in sonic velocity gas flow. Characteristic drop size data were obtained by using the following atomizing gases: nitrogen, argon, and helium to breakup water jets in high velocity gas flow. A scattered light scanning instrument developed at Lewis Research Center was used to measure Sauter mean diameter (SMD). The three gases gave a molecular weight range of 4 to 40 and atomizing gas mass flux and temperature were varied from 6 to 50 g/sq cm and 275-400 K, respectively. The ratio of liquid jet diameter to SMD, D(sub 0)/D(sub 32), was correlated with aerodynamic and liquid-surface force ratios, i.e., the product of the Weber and Reynolds number, We Re, the gas to liquid density ratio, rho(sub g)/rho(sub 1) g and also the molecular scale dimensionless group, rho(sub 1)(Vm exp 3)/ mu(sub 1) g, to give the following expression: D(sub 0)/D(sub 32) = 0.90 x 10(exp -8) x (We Re rho sub g/rho sub 1)exp 0.44 x (rho sub 1 Vm exp 3/mu sub 1 g)exp 0.67 where We Re = ((rho sub g)exp 2(D sub 0)exp 2(V sub C)exp3))/ mu sub 1 sigma, mu sub 1 is liquid viscosity, sigma is surface tension, V sub C is the acoustic gas velocity, V sub m is the RMS velocity of gas molecules, and g is the acceleration of gas molecules due to gravity. Good agreement was obtained with atomization theory for liquid-jet breakup in the regime of aerodynamic stripping. Also, due to its low molecular weight and high acoustic velocity, helium was considerably more effective than nitrogen or argon in producing small-droplet sprays with values of D(sub 32) on the order of 5 microns.

Ingebo, Robert D.↗

Nonlinear Reynolds stress model for turbulent shear flows

A nonlinear algebraic Reynolds stress model, derived using the renormalization group, is applied to equilibrium homogeneous shear flow and fully developed flow in a square duct. The model, which is quadratically nonlinear in the velocity gradients, successfully captures the large-scale inhomogeneity and anisotropy of the flows studied. The ratios of normal stresses, as well as the actual magnitudes of the stresses are correctly predicted for equilibrium homogeneous shear flow. Reynolds normal stress anisotropy and attendant turbulence driven secondary flow are predicted for a square duct. Profiles of mean velocity and normal stresses are in good agreement with measurements. Very close to walls, agreement with measurements diminishes. The model has the benefit of containing no arbitrary constants; all values are determined directly from the theory. It seems that near wall behavior is influenced by more than the large scale anisotropy accommodated in the current model. More accurate near wall calculations may well require a model for anisotropic dissipation.

Barton, J. Michael↗

An Efficient Scheme for Updating Sparse Cholesky Factors

Raghavan had earlier developed the software package DCSPACK which can be used for solving sparse linear systems where the coefficient matrix is symmetric and positive definite (this project was not funded by NASA but by agencies such as NSF). DSCPACK-S is the serial code and DSCPACK-P is a parallel implementation suitable for multiprocessors or networks-of-workstations with message passing using MCI. The main algorithm used is the Cholesky factorization of a sparse symmetric positive positive definite matrix A = LL(T). The code can also compute the factorization A = LDL(T). The complexity of the software arises from several factors relating to the sparsity of the matrix A. A sparse N x N matrix A has typically less that cN nonzeroes where c is a small constant. If the matrix were dense, it would have O(N2) nonzeroes. The most complicated part of such sparse Cholesky factorization relates to fill-in, i.e., zeroes in the original matrix that become nonzeroes in the factor L. An efficient implementation depends to a large extent on complex data structures and on techniques from graph theory to reduce, identify, and manage fill. DSCPACK is based on an efficient multifrontal implementation with fill-managing algorithms and implementation arising from earlier research by Raghavan and others. Sparse Cholesky factorization is typically a four step process: (1) ordering to compute a fill-reducing numbering, (2) symbolic factorization to determine the nonzero structure of L, (3) numeric factorization to compute L, and, (4) triangular solution to solve L(T)x = y and Ly = b. The first two steps are symbolic and are performed using the graph of the matrix. The numeric factorization step is of dominant cost and there are several schemes for improving performance by exploiting the nested and dense structure of groups of columns in the factor. The latter are aimed at better utilization of the cache-memory hierarchy on modem processors to prevent cache-misses and provide execution rates (operations/second) that are close to the peak rates for dense matrix computations. Currently, EPISCOPACY is being used in an application at NASA directed by J. Newman and M. James. We propose the implementation of efficient schemes for updating the LL(T) or LDL(T) factors computed in DSCPACK-S to meet the computational requirements of their project. A brief description is provided in the next section.

Raghavan, Padma↗

Interdisciplinary Interactions During R&D and Early Design of Large Engineered Systems

Designing Large-Scale Complex Engineered Systems (LaCES) such as aircraft and submarines requires the input of thousands of engineers and scientists whose work is proximate in neither time nor space. Comprehensive knowledge of the system is dispersed among specialists whose expertise is in typically one system component or discipline. This study examined the interactive work practices among such specialists seeking to improve engineering practice through a rigorous and theoretical understanding of current practice. This research explored current interdisciplinary practices and perspectives during R&D and early LaCES design and identified why these practices and perspectives prevail and persist. The research design consisted of a three-fold, integrative approach that combined an open-ended survey, semi-structured interviews, and ethnography. Significant empirical data from experienced engineers and scientists in a large engineering organization were obtained and integrated with theories from organization science and engineering. Qualitative analysis was used to obtain a holistic, contextualized understanding. The over-arching finding is that issues related to cognition, organization, and social interrelations mostly dominate interactions across disciplines. Engineering issues, such as the integration of hardware or physics-based models, are not as significant. For example, organization culture is an important underlying factor that guided researchers more toward individual sovereignty over cross-disciplinarity. The organization structure and the engineered system architecture also serve as constraints to the engineering work. Many differences in work practices were observed, including frequency and depth of interactions, definition or co-construction of requirements, clarity or creation of the system architecture, work group proximity, and cognitive challenges. Practitioners are often unaware of these differences resulting in confusion and incorrect assumptions regarding work expectations. Cognitively, the enactment and coconstruction of knowledge are the fundamental tasks of the interdisciplinary interactions. Distributed and collective cognition represent most of the efforts. Argument, ignorance, learning, and creativity are interrelated aspects of the interactions that cause discomfort but yield benefits such as problem mitigation, broader understanding, and improved system design and performance. The quality and quantity of social interrelations are central to all work across disciplines with reciprocity, respectful engagement, and heedful interrelations being significant to the effectiveness of the engineering and scientific work.

McGowan, Anna-Maria Rivas↗

Research in LMSS propagation

The Virginia Tech Satellite Communications Group has participated in the Land Mobile Satellite System (LMSS) program through JPL sponsorship since 1985. Involvement has mainly been in modeling and simulation of propagation characteristics and effects. Models developed to predict cummulative fade distributions for fading LMSS signals include LMSSMOD and the Simple Models which approximate LMSSMOD. Models to predict the mean and standard deviation of signal attenuation through roadside vegetation, namely the Average Path Model, were developed. In the area of simulation, efforts have centered around the development of a software simulator that uses data bases derived from experimental data to generate simulated data with arbitrary statistical behavior. This work has progressed to the development of an integrated analysis and simulation package, LIPS. The basic theory and results for the models and simulator have been previously documented in reports and papers. All LMSS activities are summarized and details of this year's efforts are given.

Barts, R. M.↗

A 2 THz Heterodyne Array Receiver for SOFIA

We proposed to perform a comprehensive design study of a 16-element heterodyne array receiver for SOFIA. The array was designed to utilize hot-electron bolometers in an efficient, low-cost waveguide mount to achieve low noise performance between approx. 1500 and 2400 GHz. Due to the prevailing physical conditions in the interstellar medium, this frequency range is one of the richest in the FIR portion of the spectrum. An array designed for this wavelength range will make excellent use of the telescope and the available atmospheric transmission, and will provide a new perspective on stellar, chemical, and galaxy evolution in the present as well as past epochs. A few of the most important molecular and atomic species which the instrument will sample are CII, OI, CO, OH, NII, and CH. The system used the most sensitive detectors available in an efficient optical system. The local oscillator was a compact CO2 pumped far-infrared laser currently under development for SOFIA. The backend spectrometer was an array acousto-optic spectrometer (aAOS). The spectrometer utilizes proven hardware and technologies to provide broadband performance (greater than or equal to 1 GHz per AOS channel) and high spectral resolution (1 MHz) with the maximum sensitivity and minimum complexity and cost. The proposed instrument would be the fastest and most sensitive heterodyne receiver ever to operate in the 1.5 - 2.4 THz band. One of the key technologies developed for the proposed instrument is the laser micromachining of waveguide structures. These structures provide both the optical link between the instrument and the telescope (via an array of efficient feedhorns) and the impedance transformation between the detectors and free space. With the assistance of funds provided from this grant, we were able to fabricate and test the world's first laser micromachined feedhorns. Figure 1 is a photograph of the 2 THz double feedhorn structure designed and constructed under the auspices of this grant. The quality of the waveguide structure is far better than that obtainable using any other fabrication technique. Figure 2 is the beam pattern obtained from it. The beam parameters are an excellent match to what is expected from theory. The success of this experiment demonstrates the viability of using laser micromachined components in the development of high performance, large format array receivers. Figure 3 is an illustration of the focal plane array concept we developed lot- SOFIA base upon this work. Un- fortunately, our instrument proposal was not selected as a first generation SOFIA instrument. However, we have continued our development efforts and will propose to build a 2nd generation instrument based on the same design concepts. Our work under NAG 2-1057 was very rewarding and we appreciate the opportunity provided by NASA to pursue it. The research led directly to publishing 2 papers (listed below) and the award of an NSF grant to our group to construct a laser micromachining system on the University of Arizona campus.

Walker, Christopher K.↗

A Prognostic Launch Vehicle Probability of Failure Assessment Methodology for Conceptual Systems Predicated on Human Causal Factors

Create an improved method to calculate reliability of a conceptual launch vehicle system prior to fabrication by using historic data of actual root causes of failures. While failures have unique "proximate causes", there are typically a finite amount of common "root causes". Heretofore launch vehicle reliability evaluation typically hardware-centric statistical analyses, while most root causes of failures are been shown to be human-centric. A method based on human-centric root causes can be used to quantify reliability assessments and focus proposed actions to mitigate problems. Existing methods have been optimistic in their projections of launch vehicle reliability compared to actuals. Hypothesis: reliability of a conceptual launch vehicle can be more accurately evaluated based on a rational, probabilistic approach using past failure assessment teams' findings predicated on human-centric causes."Human Reliability Analysis Methods Selection Guidance for NASA"Chandler F.T., et al., NASA HQ/OSMA study group, July 2006. Outside HRA experts from academia, other federal labs, and the private sector. 50 system reliability methods considered, fourteen selected for further study, four finally selected as best suited for human spaceflight. Probabilistic Risk Analysis (PRA) + Human Reliability Analysis (HRA) enabled incorporating effects and probabilities of human errors. While four down-selected methods deemed appropriate for failure assessment, it did not appear that these methods could be concisely applied to perform major system-wide assessment of probability of failure of a conceptual design without becoming unwieldy."Engineering a Safer World", Detailed, comprehensive study external to NASA Leveson N. G., MIT, 2011.Systems-Theoretic Accident Model and Processes (STAMP). All-encompassing accident model based on systems theory analyzed accidents after they occurred and created approaches to prevent occurrence in developing systems not focused on failure prevention per se, but rather reducing hazards by influencing human behavior through use of constraints, hierarchical control structures, and process models to improve system safetySystem Theoretic Process Analysis (STPA) addresses predictive part of problem (a "hazard analysis"). Includes all causal factors identified in STAMP: "...design errors, software flaws, component interaction accidents, cognitively complex human decision-making errors, and social organizational and management factors contributing to accidents" can guide design process rather than require it to exist before-hand did not appear capable of concise application for system-wide assessment of probability of failure of a conceptual design without becoming unwieldy.

Williams, Craig H.↗

Solar-System Tests of Gravitational Theories

We are engaged in testing gravitational theory by means of observations of objects in the solar system. These tests include an examination of the Principle Of Equivalence (POE), the Shapiro delay, the advances of planetary perihelia, the possibility of a secular variation G in the "gravitational constant" G, and the rate of the de Sitter (geodetic) precession of the Earth-Moon system. These results are consistent with our preliminary results focusing on the contribution of Lunar Laser Ranging (LLR), which were presented at the seventh Marcel Grossmann meeting on general relativity. The largest improvement over previous results comes in the uncertainty for (eta): a factor of five better than our previous value. This improvement reflects the increasing strength of the LLR data. A similar analysis presented at the same meeting by a group at the Jet Propulsion Laboratory gave a similar result for (eta). Our value for (beta) represents our first such result determined simultaneously with the solar quadrupole moment from the dynamical data set. These results are being prepared for publication. We have shown how positions determined from different planetary ephemerides can be compared and how the combination of VLBI and pulse timing information can yield a direct tie between planetary and radio frames. We have continued to include new data in our analysis as they became available. Finally, we have made improvement in our analysis software (PEP) and ported it to a network of modern workstations from its former home on a "mainframe" computer.

Shapiro, Irwin↗

Visualization of High Latitude Ion Upflow in Support of the Image Mission

The study of the magnetosphere is a 400 year old science that began with the publication by Gilbert, in 1600, of his hypotheses that the Earth was a giant magnet. Since then we have learned many things about the magnetosphere, particularly in the last 40 years of the space age, but we still have many unanswered questions. In spite of the many thousands of observations of this system we still lack a global understanding of how it works. This is due to its large size and tenuous nature that mean that any measurement made of the fields or particles involved only give one a knowledge of the local conditions at a given time. To gain a global perspective through such observations would require the simultaneous operation of thousands of satellites spread throughout the magnetospheric system in addition to observations made on the ground. Such a program would be impractical at least from financial considerations. What is needed for the advancement of magnetospheric physics is to develop the same capabilities that astrophysicists, solar physicists and meteorologists have been using for years --- the ability to stand back from the object under study and see it in its entirety. The challenge for doing this for the magnetosphere is that the particle densities are very low and the material is, for the most part, not luminous. In the last 25 years several ideas have been proposed that would allow at least the imaging of certain portions of the magnetosphere. These include imaging of the plasmasphere through the resonant scattering of solar 304 A from He+ ions, imaging of various hot plasma populations (i.e. the ring current, plasmasheet, upflowing ionospheric ions, etc.) from the neutral atoms that result when ions of these populations charge exchange with the hydrogen geocorona, and imaging the aurora at various wavelengths in the far ultraviolet. In addition, a novel technique for probing various boundaries in the magnetosphere by bouncing low frequency radio waves off of them has been extensively studied. Such a technique is analogous to the way the under water world can be probed with sonar. About five years ago NASA convened a science working group to study the possibility of flying a magnetospheric imaging mission. This resulted in a number of proposals for such a mission, one of which was selected to be the first MIDEX mission, to be launched in early 2000. The mission is called IMAGE (Imager for Magnetopause to Aurora Global Exploration) and its P.I. is J. Burch at SwRI. The IMAGE spacecraft will carry imagers to view the plasmasphere, aurora, ring current, inner plasmasheet, and upflowing ionospheric ions as well as a radio sounder to probe the location, shape and dynamics of the magnetopause, plasmapause, etc. Between its selection last April and the non advocacy mission review, which takes place next spring, the IMAGE teams needs to further refine the design of the mission and its instruments. The theory and modeling (T&M) subgroup of this team has the task of demonstrating what kind of images the instruments on IMAGE will see as well as showing that useful scientific information can be extracted from such images. As a central element to the efforts of the T&M subgroup we have decided to simulate and create synthetic images for the magnetic cloud event of October, 1995. In this event a large cloud, with high plasma densities and strong magnetic fields, ejected from the sun collided with the earth's magnetosphere triggering a three day period of intense magnetic storms and substorms. This event was observed from a number of different spacecraft and on the ground so we have a good data set to work with. In our work we will place the IMAGE spacecraft in the magnetosphere on its proposed orbit, with its proposed instruments, to see what it would see had it been there. Existing models of the plasmasphere, ring current and magnetopause will be run for this event to give the structures for the imaging instruments. There are several models which are lacking and which need to be developed. These include a model for the cusp, the inner plasmasheet and the upflowing ions. My task this summer was to develop the upflowing ion model and use it to create synthetic images.

Wilson, Gordon R.↗

Infrared Spectra of Substituted Polycyclic Aromatic Hydrocarbons

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of 1-methylanthracene, 9-methylanthracene, 9-cyanoanthracene, 2-aminoanthracene, acridine, and their positive ions. The theoretical data are compared with matrix-isolation spectra for these species also reported in this work. The theoretical and experimental frequencies and relative intensities for the neutral species are in generally good agreement, whereas the positive ion spectra are only in qualitative agreement. Relative to anthracene, we find that substitution of amethyl or CN for a hydrogen does not significantly affect the spectrum other than to add the characteristic methyl C-H stretch and C-N stretch (near 2200/cm), respectively. However, addition of NH2 dramatically affects the spectrum of the neutral. Not only are the NH2 modes themselves strong, but this electron withdrawing group induces sufficient partial charge on the ring to give the neutral molecule characteristics of the anthracene cation spectrum. The sum of the absolute intensities is about four times larger for 2-aminoanthracene than for 9-cyanoanthracene. Substituting nitrogen in the ring at the nine position (acridine) does not greatly alter the spectrum compared with anthracene.

Bauschlicher, Charles W., Jr.↗

Investigations on wings with and without sweepback at high subsonic speeds

Drag tests at zero lift have been made at Mach numbers from 0.7 to approximately 0.95 in the high speed wind tunnel of the Institute of Aerodynamics, ETH, Zurich, on a group of untapered wings of aspect ratio 3.25, having sweep angles of 0 degree and 35 degrees. For each sweep angle, a series of geometrically similar models was tested at a constant Reynolds number to provide a verification of computed tunnel blocking corrections. Tests were also made for wings having thickness ratios of 0.09 and 0.12 and the results compared with results predicted by von Karman's similarity law.

RESEARCH TECHNIQUE - CORRECTIONS↗

Application of the Pseudo Wigner-Ville Distribution to the Measurement of the Dispersion of Lamb Modes in Graphite/Epoxy Plates

Acoustic waves propagate in thin plates as guided or Lamb modes. The velocities of these modes are dispersive in that they depend not only on the material elastic properties and density, but also on the frequency. Accurate characterization of Lamb wave dispersion is important in many acoustic based nondestructive evaluation techniques. It is necessary for ultrasonic measurements in thin plates to determine elastic properties and for flaw detection and localization. In acoustic emission (AE) testing, if not taken into account, highly dispersive Lamb mode propagation can lead to large errors in source location. In this study, the pseudo Wigner-Ville distribution (PWVD) was used for measurement of group velocity dispersion of Lamb waves in a unidirectional graphite/epoxy (AS4/3502) laminate. The PWVD is one of a number of transforms which provide a time-frequency representation of a digitized time series. Broad band acoustic waves were generated by a pencil lead fracture (Hsu-Neilsen source) and were detected with broad band ultrasonic transducers. The arrival times for the lowest order symmetric (S(sub 0)) and antisymmetric (A(sub 0)) Lamb modes were determined from measurements of the time at which the respective peak amplitudes occurred in the PWVD. Measurements were made at several source-to-detector distances and a least squares fit used to calculate the velocity. Results are presented for propagation along, and perpendicular to, the fiber direction. Theoretical dispersion curves were also calculated and a comparison between theory and experiment demonstrates good agreement.

Prosser, W. H.↗

Correlation between strength properties in standard test specimens and molded phenolic parts

This report describes an investigation of the tensile, flexural, and impact properties of 10 selected types of phenolic molding materials. The materials were studied to see in what ways and to what extent their properties satisfy some assumptions on which the theory of strength of materials is based: namely, (a) isotropy, (b) linear stress-strain relationship for small strains, and (c) homogeneity. The effect of changing the dimensions of tensile and flexural specimens and the span-depth ratio in flexural tests were studied. The strengths of molded boxes and flexural specimens cut from the boxes were compared with results of tests on standard test specimens molded from the respective materials. The nonuniformity of a material, which is indicated by the coefficient of variation, affects the results of tests made with specimens of different sizes and tests with different methods of loading. The strength values were found to depend on the relationship between size and shape of the molded specimen and size and shape of the fillers. The most significant variations observed within a diversified group of materials were found to depend on the orientation of fibrous fillers. Of secondary importance was the dependence of the variability of test results on the pieces of filler incorporated into the molding powder as well as on the size of the piece. Static breaking strength tests on boxes molded from six representative phenolic materials correlated well with falling-ball impact tests on specimens cut from molded flat sheets. Good correlation was obtained with Izod impact tests on standard test specimens prepared from the molding materials. The static breaking strengths of the boxes do not correlate with the results of tensile or flexural tests on standard specimens.

MATERIALS, MONSANTO RESINOX↗

Infrared spectra of substituted polycylic aromatic hydrocarbons

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of 1-methylanthracene, 9-methylanthracene, 9-cyanoanthracene, 2-aminoanthracene, acridine, and their positive ions. The theoretical data are compared with matrix-isolation spectra for these species also reported in this work. The theoretical and experimental frequencies and relative intensities for the neutral species are in generally good agreement, whereas the positive ion spectra are only in qualitative agreement. Relative to anthracene, we find that substitution of a methyl or CN for a hydrogen does not significantly affect the spectrum other than to add the characteristic methyl C-H and C triple bond N stretches near 2900 and 2200 cm-1, respectively. However, addition of NH2 dramatically affects the spectrum of the neutral. Not only are the NH2 modes themselves strong, but this electron-withdrawing group induces sufficient partial charge on the ring to give the neutral molecule spectra characteristics of the anthracene cation. The sum of the absolute intensities is about four times larger for 2-aminoanthracene than those for 9-cyanoanthracene. Substituting nitrogen in the ring at the nine position (acridine) does not greatly alter the spectrum compared with anthracene.

NASA Discipline Exobiology↗

The X-ray halo of an extremely luminous LSB disk galaxy

We are continuing to refine our upper limit on emission from halo gas in Malin 2. The upper limit is, of course, below the detected flux, but is made more difficult to quantify by the disk and possible AGN sources. We are also exploring spectral and spatial-size constraints to help separate the sources of emission. On the theory side, more recent work on the X-ray halo luminosity from halo gas leftover from galaxy formation has lowered the prediction for disk galaxies (e.g. Toft et al. 2002, MNRAS, 335, 799). While our upper limit is well below the original prediction, refinements in model have moved the theoretical goalposts, so that the observation may be consistent with newer models. A recent theoretical development, which our observations of Malin 2 appear to support, is that a substantial amount of mass can be accreted onto galaxies without being heated at a virial shock. The previous standard theory was that gas accreting into a halo hits a virial shock and is heated to high temperatures, which could produce X-ray halos in massive galaxies. Recent models show that "smooth accretion" of matter bypasses the virial shocking (Murali e t al. 2002, ApJ, 571, 1; Birnboim & Dekel 2003, MNRAS, 345, 349). Additionally, new hydrodynamical simulations of galaxy mergers by UCSC graduate student T. J. Cox show that hot gas halos can be created by gas blown out from the merger, taking up orbital energy of the merging galaxies (Cox et al. 2004, ApJ, 607, L87). If mergers rather than virial shocking are the origin of hot gas halos, the existence of an X-ray halo should depend more on past merger activity than halo mass. Then it makes sense that elliptical galaxies and poor groups with ellipticals, which are probably formed in mergers, have X-ray gas halos; while a giant, quiescent LSB disk galaxy like Malin 2, which has never suffered a major merger, does not have an X-ray halo. While both the observational expectations and theoretical models have changed since we began this project, which has forced us to re-evaluate the goals, we are pressing forward to firm up the observations and put them in context of the current models for X-ray halos of massive galaxies.

Weiner, Benjamin J.↗