Computational Materials Research

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization

I Love My Steady, But I\u27m Crazy For My Once - in - a - While

https://digitalcommons.library.umaine.edu/mmb-vp/1671/thumbnail.jp

A New Method for Characterizing Very-Low-Mass Companions with Low Resolution Near-Infrared Spectroscopy

This is the author accepted manuscript. The final version is available from IOP Publishing via the DOI in this record.We present a new and computationally efficient method for characterizing very low-mass companions using low-resolution (R ~ 30), near-infrared (YJH) spectra from high-contrast imaging campaigns with integral field spectrograph (IFS) units. We conduct a detailed quantitative comparison of the efficacy of this method through tests on simulated data comparable in spectral coverage and resolution to the currently operating direct-imaging systems around the world. In particular, we simulate Project 1640 data as an example of the use, accuracy, and precision of this technique. We present results from comparing simulated spectra of M, L, and T dwarfs with a large and finely sampled grid of synthetic spectra using Markov-chain Monte Carlo techniques. We determine the precision and accuracy of effective temperature and surface gravity inferred from fits to PHOENIX dusty and cond, which we find reproduce the low-resolution spectra of all objects within the adopted flux uncertainties. Uncertainties in effective temperature decrease from ± 100-500 K for M dwarfs to as small as ± 30 K for some L and T spectral types. Surface gravity is constrained to within 0.2-0.4 dex for mid-L through T dwarfs, but uncertainties are as large as 1.0 dex or more for M dwarfs. Results for effective temperature from low-resolution YJH spectra generally match predictions from published spectral type-temperature relationships except for L-T transition objects and young objects. Single-band spectra (i.e., narrower wavelength coverage) result in larger uncertainties and often discrepant results, suggesting that high-contrast IFS observing campaigns can compensate for low spectral resolution by expanding the wavelength coverage for reliable characterization of detected companions. We find that S/N ~ 10 is sufficient to characterize temperature and gravity as well as possible given the model grid. Most relevant for direct-imaging campaigns targeting young primary stars is our finding that low-resolution near-infrared spectra of known young objects, compared to field objects of the same spectral type, result in similar best-fit surface gravities but lower effective temperatures, highlighting the need for better observational and theoretical understanding of the entangled effects of temperature, gravity, and dust on near-infrared spectra in cool low-gravity atmospheres.This research was supported in part by the American Astronomical Society’s Small Research Grant Program, NASA Astrophysics Data Analysis Program (ADAP) award 11- ADAP11-0169, and by the National Science Foundation under Grant No. 1211568. A portion of this work was supported by NASA Origins of the Solar System Grant No. NMO7100830/102190. A portion of the research in this paper was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration (NASA) and was funded by internal Research and Technology Development funds. In addition, part of this work was performed under a contract with the California Institute of Technology (Caltech) funded by NASA through the Sagan Fellowship Program. The members of the Project 1640 team are also grateful for support from the Cordelia Corporation, Hilary and Ethel Lipsitz, the Vincent Astor Fund, Judy Vale, Andrew Goodwin, and an anonymous donor. This research has made use of the IRTF Spectral Library, the SIMBAD database, operated at CDS, Strasbourg, France, and NASA’s Astrophysics Data System

Discovery of Seven Companions To Intermediate-Mass Stars With Extreme Mass Ratios in the Scorpius-Centaurus Association

We report the detection of seven low-mass companions to intermediate-mass stars (SpT B/A/F; M similar to 1.5-4.5M(circle dot)) in the Scorpius-Centaurus (Sco-Cen) Association using nonredundant aperture masking interferometry. Our newly detected objects have contrasts Delta L' approximate to 4-6, corresponding to masses as low as similar to 20 M-Jup and mass ratios of q approximate to 0.01-0.08, depending on the assumed age of the target stars. With projected separations rho approximate to 10-30 AU, our aperture masking detections sample an orbital region previously unprobed by conventional adaptive optics imaging of intermediate-mass Sco-Cen stars covering much larger orbital radii (similar to 30-3000 AU). At such orbital separations, these objects resemble higher-mass versions of the directly imaged planetary mass companions to the 10-30 Myr, intermediate-mass stars HR 8799, beta Pictoris, and HD 95086. These newly discovered companions span the brown dwarf desert, and their masses and orbital radii provide a new constraint on models of the Formation of low-mass stellar and substellar companions to intermediate-mass stars.NASA through the Sagan Fellowship ProgramNSF Astronomy and Astrophysics Postdoctoral Fellowship AST-1203023Clay FellowshipNASA through Hubble Fellowship 51257.01AURA, Inc., for NASA NAS 5-26555W. M. Keck FoundationAstronom

Erupting Dwarf Novae in the Large Magellanic Cloud

We report the first likely detections of erupting Dwarf Novae (DN) in an external galaxy: the Large Magellanic Cloud. Six candidates were isolated from approximately a million stars observed every second night over 11 nights with the CTIO 8K x 8K Mosaic2 CCD imager. Artificial dwarf nova and completeness tests suggest that we are seeing only the brightest of the LMC DN, probably SS Cygni-like CVs, but possibly SU UMa-type cataclysmics undergoing superoutbursts. We derive crude but useful limits on the LMC DN surface density, and on the number of DN in the LMC. Many thousands of cataclysmic variables in the Magellanic Clouds can be discovered and characterized with 8 meter class telescopes.Comment: Accepted for publication in AJ, 28 pages, 9 figures total, Figures 1 and 8 are supplied separately in jpeg forma

Erupting Cataclysmic Variable Stars in the Nearest Globular Cluster, NGC 6397: Intermediate Polars?

NGC 6397 is the closest globular cluster, and hence the ideal place to search for faint stellar populations such as cataclysmic variables (CVs). HST and Chandra observers have identified nine certain and likely CVs in this nearby cluster, including several magnetic CV candidates. We have combined our recent UV imagery with archival HST images of NGC 6397 to search for new CV candidates and especially to look for dwarf nova-like eruptive events. We find remarkable and somewhat unexpected dwarf nova-like eruptions of the two well-known cataclysmic systems CV2 and CV3. These two objects have been claimed to be {\it magnetic} CVs, as indicated by their helium emission-line spectra. Magnetic fields in CVs are usually expected to prevent the disk instability that leads to dwarf nova eruptions. In fact, most field magnetic CVs are observed to not undergo eruptions. Our observations of the dwarf nova eruptions of CV2 and CV3 can be reconciled with these objects' HeII emission lines if both objects are infrequently-erupting intermediate polars, similar to EX Hya. If this is the case for most globular cluster CVs then we can reconcile the many X-ray and UV bright CV candidates seen by Chandra and HST with the very small numbers of erupting dwarf novae observed in cluster cores.Comment: 12 pages, 3 figures. Accepted for publication in The Astronomical Journal. Two additional authors adde

Companions of Stars: From Other Stars to Brown Dwarfs to Planets: The Discovery of the First Methane Brown Dwarf

The discovery of the first methane brown dwarf provides a framework for describing the important advances in both fundamental physics and astrophysics that are due to the study of companions of stars. I present a few highlights of the history of this subject along with details of the discovery of the brown dwarf Gliese 229B. The nature of companions of stars is discussed with an attempt to avoid biases induced by anthropocentric nomenclature. With the newer types of remote reconnaissance of nearby stars and their systems of companions, an exciting and perhaps even more profound set of contributions to science is within reach in the near future. This includes an exploration of the diversity of planets in the universe and perhaps soon the first solid evidence for biological activity outside our Solar System.Comment: 31 pages, 13 figure

Molecular Dynamics Simulations of Adhesion at Epoxy Interfaces

The effect of moisture on adhesives used in aerospace applications can be modeled with chemically specific techniques such as molecular dynamics simulation. In the present study, the surface energy and work of adhesion are calculated for epoxy surfaces and interfaces, respectively, by using molecular dynamics simulation. Modifications are made to current theory to calculate the work of adhesion at the epoxy-epoxy interface with and without water. Quantitative agreement with experimental values is obtained for the surface energy and work of adhesion at the interface without water. The work of adhesion agrees qualitatively with the experimental values for the interface with water: the magnitude is reduced 15% with respect to the value for the interface without water. A variation of 26% in the magnitude is observed depending on the water configuration at a concentration of 1.6 wt%. The methods and modifications to the method that are employed to obtain these values are expected to be applicable for other epoxy adhesives to determine the effects of moisture uptake on their work of adhesion

Wholly aromatic liquid crystalline polyetherimide (LC-PEI) resins

The benefits of liquid crystal polymers and polyetherimides are combined in an all-aromatic thermoplastic liquid crystalline polyetherimide. Because of the unique molecular structure, all-aromatic thermotropic liquid crystal polymers exhibit outstanding processing properties, excellent barrier properties, low solubilities and low coefficients of thermal expansion in the processing direction. These characteristics are combined with the strength, thermal, and radiation stability of polyetherimides