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NASA NTRS2000

Applications in Bioastronautics and Bioinformatics: Early Radiation Cataracts Detected by Noninvasive, Quantitative, and Remote Means

Human exploration of Mars is a key goal in NASA's exploration planning in the next 20 years. Maintaining crew health and good vision is certainly an important aspect of achieving a successful mission. Continuous radiation exposure is a risk factor for radiation-induced cataracts in astronauts because radiation exposure in space travel has the potential of accelerating the aging process (ref. 1). A patented compact device (ref. 2) based on the technique of dynamic light scattering (DLS) was designed for monitoring an astronaut's ocular health during long-duration space travel. This capability of early diagnosis, unmatched by any other clinical technique in use today, may enable prompt initiation of preventive/curative therapy. An Internet web-based system integrating photon correlation data and controlling the hardware to monitor cataract development in vivo at a remote site in real time (teleophthalmology) is currently being developed. The new technology detects cataracts very early (at the molecular level). Cataract studies onboard the International Space Station will be helpful in quantifying any adverse effect of radiation to ocular health. The normal lens in a human eye, situated behind the cornea, is a transparent tissue. It contains 35 wt % protein and 65 wt % water. Aging, disease (e.g., diabetes), smoking, dehydration, malnutrition, and exposure to ultraviolet light and ionizing radiation can cause agglomeration of the lens proteins. Protein aggregation can take place anywhere in the lens, causing lens opacity. The aggregation and opacification could produce nuclear (central portion of the lens) or cortical (peripheral) cataracts. Nuclear and posterior subcapsular (the membrane's capsule surrounds the whole lens) cataracts, being on the visual optical axis of the eye, cause visual impairment that can finally lead to blindness. The lens proteins, in their native state, are small in size. As a cataract develops, this size grows from a few nanometers (transparent) to several micrometers (cloudy). Ansari and Datiles have shown that DLS can detect cataracts at least two to three orders of magnitude earlier noninvasively and quantitatively than the best imaging (Scheimpflug) techniques in clinical use today (ref. 3).

Ansari, Rafat R.↗

NASA NTRS1995

Sensitivity analysis in multipole-accelerated panel methods for potential flow

In the design of an airframe, the effect of changing the geometry on resulting computations is necessary for design optimization. The geometry is defined in terms of a series of design variables, including design variables to define the wing planform, tail, canard, pylon, and nacelle. Design optimization in this research is based on how these design variable affect the potential flow. The potential flow is computed as a function of the geometry and location of a series of panels describing the airframe, which are in turn a function of the design variables. Multipole accelerated panel methods improve the computational complexity of the problem and thus are an attractive approach. To utilize the methods in design optimization, it was necessary to define the appropriate sensitivity derivatives. The overhead incurred from finding the sensitivity derivatives in conjunction with the original computation should be small. This research developed the background for multipole-accelerated panel methods and the framework for finding sensitivity derivatives in the methods. Potential flow panel codes are commonly used for powered-lift aerodynamic predictions for three dimensional geometries. Given an airframe which has been discretized into a series of panels to define the airframe geometry, potential is computed as a function of the influence of all panels on all other panels. This is a computationally intensive problem for which efficient solutions are desired to improve the computational time and to allow greater resolution by use of more panels. One such solution is the use of hierarchical multipole methods which entail approximations of the effects of far-field terms. Hierarchical multipole methods have become prevalent in molecular dynamics and gravitational physics, and have been introduced into the fields of capacitance calculations, computational fluid dynamics, and electromagnetics. The methods utilize multipole expansions to describe the effect of bodies (i.e. particles, astrophysical bodies, panels, etc.) within a sphere on points distant from the sphere, where the influence diminishes as a function of distance. The expansions are exact with infinite series, however, for practical computations, the series are truncated and accuracy is selected based on the number of terms retained in the expansions. A hierarchical tree structure groups bodies together based on proximity to allow definition of multipole expansions for each group. The multipole expansions are then used to compute the effect of the bodies in a group on distant bodies.

Leathrum, James F., Jr.↗

NASA NTRS2014

Modeling Materials: Design for Planetary Entry, Electric Aircraft, and Beyond

NASA missions push the limits of what is possible. The development of high-performance materials must keep pace with the agency's demanding, cutting-edge applications. Researchers at NASA's Ames Research Center are performing multiscale computational modeling to accelerate development times and further the design of next-generation aerospace materials. Multiscale modeling combines several computationally intensive techniques ranging from the atomic level to the macroscale, passing output from one level as input to the next level. These methods are applicable to a wide variety of materials systems. For example: (a) Ultra-high-temperature ceramics for hypersonic aircraft-we utilized the full range of multiscale modeling to characterize thermal protection materials for faster, safer air- and spacecraft, (b) Planetary entry heat shields for space vehicles-we computed thermal and mechanical properties of ablative composites by combining several methods, from atomistic simulations to macroscale computations, (c) Advanced batteries for electric aircraft-we performed large-scale molecular dynamics simulations of advanced electrolytes for ultra-high-energy capacity batteries to enable long-distance electric aircraft service; and (d) Shape-memory alloys for high-efficiency aircraft-we used high-fidelity electronic structure calculations to determine phase diagrams in shape-memory transformations. Advances in high-performance computing have been critical to the development of multiscale materials modeling. We used nearly one million processor hours on NASA's Pleiades supercomputer to characterize electrolytes with a fidelity that would be otherwise impossible. For this and other projects, Pleiades enables us to push the physics and accuracy of our calculations to new levels.

Supercomputing↗

NASA NTRS2000

Stereo Imaging Velocimetry of Mixing Driven by Buoyancy Induced Flow Fields

Mixing of two fluids generated by steady and particularly g-jitter acceleration is fundamental towards the understanding of transport phenomena in a microgravity environment. We propose to carry out flight and ground-based experiments to quantify flow fields due to g-jitter type of accelerations using Stereo Imaging Velocimetry (SIV), and measure the concentration field using laser fluorescence. The understanding of the effects of g-jitter on transport phenomena is of great practical interest to the microgravity community and impacts the design of experiments for the Space Shuttle as well as the International Space Station. The aim of our proposed research is to provide quantitative data to the community on the effects of g-jitter on flow fields due to mixing induced by buoyancy forces. The fundamental phenomenon of mixing occurs in a broad range of materials processing encompassing the growth of opto-electronic materials and semiconductors, (by directional freezing and physical vapor transport), to solution and protein crystal growth. In materials processing of these systems, crystal homogeneity, which is affected by the solutal field distribution, is one of the major issues. The understanding of fluid mixing driven by buoyancy forces, besides its importance as a topic in fundamental science, can contribute towards the understanding of how solutal fields behave under various body forces. The body forces of interest are steady acceleration and g-jitter acceleration as in a Space Shuttle environment or the International Space Station. Since control of the body force is important, the flight experiment will be carried out on a tunable microgravity vibration isolation mount, which will permit us to precisely input the desired forcing function to simulate a range of body forces. To that end, we propose to design a flight experiment that can only be carried out under microgravity conditions to fully exploit the effects of various body forces on fluid mixing. Recent flight experiments, by the P.I. through collaboration with the Canadian Space Agency (STS-85, August 1997), aimed at determining the stability of the interface between two miscible liquids inside an enclosure show that a long liquid column (5 cm) under microgravity isolation conditions can be stable, i.e. the interface remains sharp and vertical over a short time scale; thus transport occurs by molecular mass diffusion. On the other hand, when the two liquids were excited from a controlled vibration source (Microgravity Vibration Isolation Mount) two to four mode large amplitude quasi-stationary waves were observed. The data was limited to CCD recording of the dynamics of the interface between the two fluids. We propose to carry out flight experiments to quantify the dynamics of the flow field using Stereo Imaging Velocimetry and measure the concentration field using laser fluorescence. The results will serve as a basis to understand effects of g-jitter on transport phenomena, in this case mass diffusion. As the measurement of the kinematics of the flow field will shed light on the instability mechanism. The research will allow measurement of the flow field in microgravity environment to prove two hypotheses: (1) Maxwell's hypothesis: finite convection always exists in diffusing systems, and (2) Quasi-stationary waves inside a bounded enclosure in a microgravity environment is generated by Kelvin-Helmholtz instability; resonance of the interface which produces incipient mixing is due to Rayleigh-Taylor instability. The first hypothesis can be used as a benchmark experiment to illustrate diffusive mixing. The second hypothesis will lead to the understanding of g-jitter effects on buoyancy driven flow fields which occur in many situations involving materials processing, and other basic fluid physics phenomena. In addition, the second hypothesis will also provide insight in how Rayleigh-Taylor and Kelvin-Helmholtz instabilities propagate concentration fronts during mixing. Measurement of the flow field using SIV is important because it is the flow field which causes instability at the interface between the two fluids. Mixing driven by buoyancy induced flow fields will be addressed both experimentally and computationally. The experimental effort will address the kinematics of mixing: stretching, transport and chaos. Quantification of the mechanisms of mixing will consists of measuring the flow field using the SIV system at Glenn and capturing the dynamics of the interface, to measure mass transport, using a CCD camera. These experiments will be carried out within the framework of Earth's gravity and g-jitter microgravity acceleration as in a Space Shuttle environment or the International Space Station. The g-jitter will be induced and controlled using a tunable vibration isolation platform to isolate against vibration as well as input periodic and random vibration to the system. The parametric range of the microgravity experiment will be extended from the experiments on STS-85 to investigate higher mode quasi-stationary waves (8 to 12), as well as resonance regions which leads to chaos and turbulence. Ground-based experiments will focus on effects of vibration on stably stratified fluid layers in order to scale for possible scenarios in a microgravity environment. These vibrations will be subjected perpendicular to the concentration field on the ground since the parallel case can only be carried out in a microgravity environment. The concept of dynamical similarity will be applied to tune the experiments as closely as possible to a Space Shuttle environment or the International Space Station. The computational effort will take advantage of the Computational Laboratory at Glenn to corroborate the experimental findings with predictions of the dynamics of the flow field using the codes FLUENT (finite difference based) and FIDAP (finite element based). We will investigate two important cases, single-fluid model to address dilute systems with negligible jump in viscosity and the more general two-fluid model which accounts for finite jump in viscosity. Apart from its microgravity relevance, this experiment is well suited to study dynamics in nonlinear systems.

Duval, W. M. B.↗

NASA NTRS1994

(abstract) A Miniature, High-Sensitivity, Electron-Tunneling Accelerometer

A prototype low-noise accelerometer has been fabricated with an electron-tunneling transducer. By measuring the tunneling current between an electrode on the proof mass and a feedback-controlled monitor electrode, very small accelerations can be detected with high responsivity. This particular prototype (10x10x1.5 mm) was designed for underwater acoustic measurement from a few hertz to 1 kHz. The measured responsivity below the fundamental device resonance at 100 Hz is roughly 1500 volts per m/s(sup 2) with a measured noise spectral density of 10(sup -6) m/s(sup 2) per root hertz or less between 30 and 300 Hz. The noise floor is controlled primarily by 1/f noise in the tunneling current although the noise floor reaches the theoretical molecular-agitation limit at 100 hertz. The responsivity and directivity of the device were measured in a standard gradient-hydrophone calibrator; the noise floor was determined in a vacuum-ionization chamber assembled from commercial off-the-shelf components; and the detailed dynamics of the proof-mass motion were examined using a heterodyne laser interferometer that was scanned across the surface and synchronously detected with respect to the excitation.

accelerometer electron tunneling acoustic measurem↗

NASA NTRS2019

High-Performance Computing Optimization for Aladyn – Adaptive Neural Network Molecular Dynamics Mini-Application

This report provides a description and performance evaluation of the optimization techniques for high performance computing (HPC) implementation of the open source Computational Materials mini-application Aladyn (https://github.com/nasa/aladyn). Aladyn is a basic molecular dynamics code written in FORTRAN 2003, which is designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory (DFT) method. While achieving orders of magnitude faster computational performance than DFT, the ANN-based approach was still very computationally demanding compared to the conventional approach of using empirically fitted energy functions. After its initial development, Aladyn was evaluated and optimized by experts at the NASA Advanced Supercomputing (NAS) division to exploit modern supercomputer architectures. The code has been optimized for execution on multicore central processing units (CPUs), including Intel® Skylake microarchitecture, and on graphic accelerators, such as Nvidia® V100 graphic processing units (GPUs), using Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC) programming interfaces. The optimization achieved a speedup of 4.7 times the baseline version on CPU performance and an additional 2.4 times on CPU+GPU performance. Atomistic computer simulations are a fundamental tool in materials research to model material properties form physics-based first principles. Atomic interaction, governed by Quantum Mechanics (QM) require sophisticated and highly computationally demanding mathematical models to calculate [1]. Classical methods use approximate functional forms, empirically fitted through a set of variable parameters to emulate atomic energies as direct functions of atomic coordinates [2]. While empirical potentials are computationally much simpler, allowing simulations of large-scale systems of up to a trillion (1012) atoms [3], they are substantially less accurate compared to quantum calculations and applicable only to very specific atomic configurations or predefined crystallographic phases. A recently suggested approach is to use heuristic machine learning methods [4], such as those based on Adaptive Neural Networks (ANNs) to predict atomic energies, after being trained on a sufficiently large database of QM-calculated structures [5,6]. This approach reduces significantly the computational complexity, allowing for simulations of orders of magnitude larger systems compared to QM-based methods without compromising accuracy. Still, compared to classical methods using empirical energy functions, ANN methods remain two- to three orders of magnitude more computationally demanding. Hence, the computational cost of simulations, together with the need for extensive training of ANNs, still makes the practical implementation of ANN-based methods quite challenging. The purpose of the Aladyn mini-application software [7], available as open source at https://github.com/nasa/aladyn, is to be a testbed for exploring possible optimization strategies to develop highly scalable parallel algorithms for ANN-based atomistic simulations. Aladyn is aimed at utilizing the architecture of the high-end modern highperformance computing (HPC) hardware based on multicore central processing units (CPUs) equipped with graphic processing unit (GPU) accelerators. Specifically, the goal is to optimize the performance on a single HPC compute node, before implementing scaling to multi-node parallelization using message passing interface (MPI). At the same time, the open source code of Aladyn can serve as a training model for students and professors in academia.

Yamakov, Vesselin I.↗

NASA NTRS2021

A Ring Accelerator? Unusual Jet Dynamics in the IceCube Candidate PKS 1502+106

On 2019/07/30.86853 UT, IceCube detected a high-energy astrophysical neutrino can-didate. The Flat Spectrum Radio Quasar PKS 1502+106 is located within the 50 percent uncertainty region of the event. Our analysis of 15 GHz Very Long Baseline Ar-ray (VLBA) and astrometric 8 GHz VLBA data, in a time span prior and after theIceCube event, reveals evidence for a radio ring structure which develops with time.Several arc-structures evolve perpendicular to the jet ridge line. We find evidence forprecession of a curved jet based on kinematic modelling and a periodicity analysis.An outflowing broad line region (BLR) based on the C IV line emission (Sloan Dig-ital Sky Survey, SDSS) is found. We attribute the atypical ring to an interaction ofthe precessing jet with the outflowing material.We discuss our findings in thecontext of a spine-sheath scenario where the ring reveals the sheath andits interaction with the surroundings (NLR clouds).We find that the radioemission is correlated with theγ-ray emission, with radio lagging theγ-rays. Basedon theγ-ray variability timescale, we constrain theγ-ray emission zone to the BLR(30-200rg) and within the jet launching region. We discuss that the outflowing BLRprovides the external radiation field forγ-ray production via external Compton scat-tering.The neutrino is most likely produced by proton-proton interactionin the blazar zone (beyond the BLR), enabled by episodic encounters ofthe jet with dense clouds, i.e. some molecular cloud in the NLR.

S Britzen↗

NASA NTRS1986

The velocity dispersion of the giant molecule clouds: A viscous origin

The observations of interstellar cloud motion show that the cloud velocity dispersion is nearly constant, to within a factor of 2, for clouds covering at least three orders of magnitude in mass. For example, the Giant Molecular Cloud (GMC) with typical masses of approx 5 x 10 to the 5th power solar masses have a one-dimensional planar, cloud-cloud, random velocity dispersion of approx 3-7 km/s. The HI clouds, of approx. 400 solar masses each, on the other hand, have a typical one-dimensional velocity dispersion of approx 6 km/s. Clearly, the clouds are not in kinetic energy equipartion. The GMC spatial distribution in the galactic disk is not that of an isolated, 3-D system; rather, the GMCs exhibit a very thin disk (approx nearly a monolayer) distribution; with the ratio of the diameter of a typical GMC to the vertical scale-height of the GMC distribution being approx 50 pc/150 pc = 0.3. The supernova shocks, which can accelerate the low mass clouds, are extremely ineffective in accelerating the GMCs because of the much larger mass/area ratio for the GMCs. The above points suggest that the GMCs do not constitute an isolated, 3-D system - rather, they indicate that the dynamics of the GMCs is mainly determined by the fact that they are located in a differentially rotating galactic disk, and that, as for particles in planetary rings, viscosity is the primary energy input. Specifically, it is proposed that gravitational scattering of the massive clouds off each other in the differentially rotating galactic disk constitutes an effective gravitational viscosity, which causes an increase in the random kinetic energy of the GMCs at the expense of their ordered, rotational kinetic energy.

Jog, C. J.↗

NASA NTRS1999

Laser Optogalvanic Spectroscopy pf Neon and Argon in a Discharge Plasma and its Significance for Microgravity Combustion

A detailed study of combustion mechanisms in flames, employing laser-based diagnostics, has provided good knowledge and understanding of the physical phenomena, and led to better characterization of the dynamical and chemical combustion processes, both under low-gravity (in space) and normal gravity (in ground based facilities, e.g. drop towers). Laser induced fluorescence (LIF), laser-induced incandescence (LII) and LIF thermometry have been widely used to perform nonintrusive measurements and to better understand combustion phenomena. Laser optogalvanic (LOG) spectroscopy has well-established applications in ion mobility measurements, atomic and molecular spectroscopy, ionization rates, recombination rates, velocity measurements and as a combustion probe for trace element detection. Absorption spectra of atomic and molecular species in flames can be obtained via LOG spectroscopy by measuring the voltage and current changes induced by laser irradiation. There are different kinds of processes that contribute to a discharge current, namely: (1) electron impact ionization, (2) collisions among the excited atoms of the discharge species and (3) Penning ionization. In general, at higher discharge currents, the mechanism of electron impact ionization dominates over Penning ionization, whereby the latter is hardly noticeable. In a plasma, whenever the wavelength of a laser coincides with the absorption of an atomic or molecular species, the rate of ionization of the species momentarily increases or decreases due to laser-assisted acceleration of collisional ionization. Such a rate of change in the ionization is monitored as a variation in the transient current by inserting a high voltage electrode into the plasma. Optogalvanic spectroscopy in discharges has been useful for characterizing laser line-widths and for providing convenient calibration lines for tunable dye lasers in the ultraviolet, visible and infrared wavelength regions. Different kinds of quantitative information, such as the electron collisional ionization rate, can be extracted from the complex processes occurring within the discharge. In the optogalvanic effect (OGE), there is no problem of overlap from background emissions, and hence even weak signals can be detected with a high signal-to-noise ratio, which makes the optogalvanic effect sensitive enough to resolve vibrational changes in molecular bonds and differences in energy levels brought about by different electron spins. For calibration purposes, neon and argon gaseous discharges have been employed most extensively, because these gases are commonly used as buffer gases within hollow-cathode lamps and provide an acceptable density of calibration lines. In the present work, our main aim has been to understand the dominant physical processes responsible for the production of the OGE signal, based on the extensive time resolved optogalvanic waveforms recorded, and also to extract quantitative information on the rates of excited state collisional processes.

Misra, Prabhakar↗

NASA NTRS2018

ALMA Spectral Line and Imaging Survey of a Low and a High Mass-Loss Rate AGB Star Between 335 and 362 GHz

Context. Low and intermediate mass stars are known to power strong stellar winds when evolving through the asymptotic giant branch (AGB) phase. Initial mass, luminosity, temperature, and composition determine the pulsation characteristics of the star and the dust species formed in the pulsating photospheric layers. Radiation pressure on these grains triggers the onset of a stellar wind. However, as of today, we still cannot predict the wind mass-loss rates and wind velocities from first principles neither do we know which species are the first to condense in the upper atmospheric regions. Aims. We aim to characterise the dominant physical, dynamical, and chemical processes in the inner wind region of two archetypical oxygen-rich (C/O < 1) AGB stars, that is, the low mass-loss rate AGB star R Dor (M’ ∼ 1 × 10(exp −7) M/yr) and the high mass-loss rate AGB star IK Tau (M’ ∼ 5 × 10(exp −6) M/yr). The purpose of this study is to observe the key molecular species contributing to the formation of dust grains and to cross-link the observed line brightnesses of several species to the global and local properties of the star and its wind. Methods. A spectral line and imaging survey of IK Tau and R Dor was made with ALMA between 335 and 362 GHz (band 7) at a spatial resolution of ∼150 mas, which corresponds to the locus of the main dust formation region of both targets. Results. Some two hundred spectral features from 15 molecules (and their isotopologues) were observed, including rotational lines in both the ground and vibrationally excited states (up to v = 5 for SiO). Detected species include the gaseous precursors of dust grains such as SiO, AlO, AlOH, TiO, and TiO2. We present a spectral atlas for both stars and the parameters of all detected spectral features. A clear dichotomy for the sulphur chemistry is seen: while CS, SiS, SO, and SO2 are abundantly present in IK Tau, only SO and SO2 are detected in R Dor. Also other species such as NaCl, NS, AlO, and AlOH display a completely different behaviour. From some selected species, the minor isotopologues can be used to assess the isotopic ratios. The channel maps of many species prove that both large and small-scale inhomogeneities persist in the inner wind of both stars in the form of blobs, arcs, and/or a disk. The high sensitivity of ALMA allows us to spot the impact of these correlated density structures in the spectral line profiles. The spectral lines often display a half width at zero intensity much larger than expected from the terminal velocity, v∞, previously derived for both objects (36 km/s versus v(∞) ∼ 17.7 km/s for IK Tau and 23 km/s versus v(∞) ∼ 5.5 km/s for R Dor). Both a more complex 3D morphology and a more forceful wind acceleration of the (underlying) isotropic wind can explain this trend. The formation of fractal grains in the region beyond ∼400 mas can potentially account for the latter scenario. From the continuum map, we deduce a dust mass of ∼3.7 × 10(exp −7) Mand ∼2 × 10(exp −8) M for IK Tau and R Dor, respectively. Conclusions. The observations presented here provide important constraints on the properties of these two oxygen-dominated AGB stellar winds. In particular, the ALMA data prove that both the dynamical and chemical properties are vastly different for this high mass-loss rate (IK Tau) and low mass-loss rate (R Dor) star.

L. Decin↗

NASA NTRS2018

ALMA Spectral Line and Imaging Survey of a Low and a High Mass-Loss Rate AGB Star Between 335 and 362 GHz

Context. Low and intermediate mass stars are known to power strong stellar winds when evolving through the asymptotic giant branch (AGB) phase. Initial mass, luminosity, temperature, and composition determine the pulsation characteristics of the star and the dust species formed in the pulsating photospheric layers. Radiation pressure on these grains triggers the onset of a stellar wind. However, as of today, we still cannot predict the wind mass-loss rates and wind velocities from first principles neither do we know which species are the first to condense in the upper atmospheric regions. Aims. We aim to characterise the dominant physical, dynamical, and chemical processes in the inner wind region of two archetypical oxygen-rich (C/O<1) AGB stars, that is, the low mass-loss rate AGB star R Dor (M~ 1x10(exp 7) M☉/yr) and the high mass-loss rate AGB star IK Tau (M~5x10(exp 6) M☉/yr). The purpose of this study is to observe the key molecular species contributing to the formation of dust grains and to cross-link the observed line brightnesses of several species to the global and local properties of the star and its wind. Methods. A spectral line and imaging survey of IK Tau and R Dor was made with ALMA between 335 and 362 GHz (band 7) at a spatial resolution of ~150 mas, which corresponds to the locus of the main dust formation region of both targets. Results. Some two hundred spectral features from 15 molecules (and their isotopologues) were observed, including rotational lines in both the ground and vibrationally excited states (up to v=5 for SiO). Detected species include the gaseous precursors of dust grains such as SiO, AlO, AlOH, TiO, and TiO2.We present a spectral atlas for both stars and the parameters of all detected spectral features. A clear dichotomy for the sulphur chemistry is seen: while CS, SiS, SO, and SO2 are abundantly present in IK Tau, only SO and SO2 are detected in R Dor. Also other species such as NaCl, NS, AlO, and AlOH display a completely different behaviour. From some selected species, the minor isotopologues can be used to assess the isotopic ratios. The channel maps of many species prove that both large and small-scale inhomogeneities persist in the inner wind of both stars in the form of blobs, arcs, and/or a disk. The high sensitivity of ALMA allows us to spot the impact of these correlated density structures in the spectral line profiles. The spectral lines often display a half width at zero intensity much larger than expected from the terminal velocity, v1, previously derived for both objects (36 km/s versus v(∞)~17.7 km/s for IK Tau and 23 km/s versus v(∞)~5.5 km/s for R Dor). Both a more complex 3D morphology and a more forceful wind acceleration of the (underlying) isotropic wind can explain this trend. The formation of fractal grains in the region beyond _400 mas can potentially account for the latter scenario. From the continuum map, we deduce a dust mass of ~3.7 x 10(exp 7) M☉ and ~2 x 10(ex0 8) M☉ for IK Tau and R Dor, respectively. Conclusions. The observations presented here provide important constraints on the properties of these two oxygen-dominated AGB stellar winds. In particular, the ALMA data prove that both the dynamical and chemical properties are vastly different for this high mass-loss rate (IK Tau) and low mass-loss rate (R Dor) star.

Stars: AGB and post-AGB, Stars: mass loss, Stars: ↗

NASA NTRSDate not supplied

Fracture Prediction of Epoxy Resin using Morse Bond Potential Embedded in GAFF using Molecular Dynamics Simulations

A generic method is developed to investigate the fracture behavior of an epoxy resin using atomistic molecular (MD) dynamics simulations. The epoxy system consisted of the stoichiometric mixture of tetra-/tri-functional epoxies and di-functional hardener molecules and was cured with a step-growth crosslinking algorithm. A hybrid force field (hFF) in which Morse bond function were added in second generation-general Amber Force Field (GAFF2) was used to capture bond breaking of the crosslinked epoxy system under uniaxial deformation. The Morse bond parameters for covalent bonds in the crosslinked backbone were fit to dissociation curves computed by CASPT2/6-311+G**. After the systems in various crosslink densities were obtained and equilibrated, the full length of stress-strain (𝜎-𝜀) curve was produced including initial elastic regime, yielding, plastic flow, strain hardening, and progressive failure. We found that the hFF was effective in studying the dissociation of crosslinked polymers and understanding the failure mechanism. In the results, the hFF delivered the same elastic property obtained from the unmodified force field GAFF. The stress-strain curve, however, began to be distinct in the plastic regime due to broken covalent bonds capable of altering the tensile behavior. Once the stress reached maximum, it progressively decreased until the ultimate failure (𝜎=0). Since hFF employed the existing GAFF functions with including a minimal change of its bond potential, this approach is easier to perform and computationally more efficient for unveiling the fracture behavior of polymer materials at the molecular level than other approaches with reactive force fields. We expect this approach will be utilized to accelerate the material-by-design process for thermosets by incorporate data from molecular models.

Changwoon Jang↗

NASA NTRS2010

26th Space Simulation Conference Proceedings. Environmental Testing: The Path Forward

Topics covered include: A Multifunctional Space Environment Simulation Facility for Accelerated Spacecraft Materials Testing; Exposure of Spacecraft Surface Coatings in a Simulated GEO Radiation Environment; Gravity-Offloading System for Large-Displacement Ground Testing of Spacecraft Mechanisms; Microscopic Shutters Controlled by cRIO in Sounding Rocket; Application of a Physics-Based Stabilization Criterion to Flight System Thermal Testing; Upgrade of a Thermal Vacuum Chamber for 20 Kelvin Operations; A New Approach to Improve the Uniformity of Solar Simulator; A Perfect Space Simulation Storm; A Planetary Environmental Simulator/Test Facility; Collimation Mirror Segment Refurbishment inside ESA s Large Space; Space Simulation of the CBERS 3 and 4 Satellite Thermal Model in the New Brazilian 6x8m Thermal Vacuum Chamber; The Certification of Environmental Chambers for Testing Flight Hardware; Space Systems Environmental Test Facility Database (SSETFD), Website Development Status; Wallops Flight Facility: Current and Future Test Capabilities for Suborbital and Orbital Projects; Force Limited Vibration Testing of JWST NIRSpec Instrument Using Strain Gages; Investigation of Acoustic Field Uniformity in Direct Field Acoustic Testing; Recent Developments in Direct Field Acoustic Testing; Assembly, Integration and Test Centre in Malaysia: Integration between Building Construction Works and Equipment Installation; Complex Ground Support Equipment for Satellite Thermal Vacuum Test; Effect of Charging Electron Exposure on 1064nm Transmission through Bare Sapphire Optics and SiO2 over HfO2 AR-Coated Sapphire Optics; Environmental Testing Activities and Capabilities for Turkish Space Industry; Integrated Circuit Reliability Simulation in Space Environments; Micrometeoroid Impacts and Optical Scatter in Space Environment; Overcoming Unintended Consequences of Ambient Pressure Thermal Cycling Environmental Tests; Performance and Functionality Improvements to Next Generation Thermal Vacuum Control System; Robotic Lunar Lander Development Project: Three-Dimensional Dynamic Stability Testing and Analysis; Thermal Physical Properties of Thermal Coatings for Spacecraft in Wide Range of Environmental Conditions: Experimental and Theoretical Study; Molecular Contamination Generated in Thermal Vacuum Chambers; Preventing Cross Contamination of Hardware in Thermal Vacuum Chambers; Towards Validation of Particulate Transport Code; Updated Trends in Materials' Outgassing Technology; Electrical Power and Data Acquisition Setup for the CBER 3 and 4 Satellite TBT; Method of Obtaining High Resolution Intrinsic Wire Boom Damping Parameters for Multi-Body Dynamics Simulations; and Thermal Vacuum Testing with Scalable Software Developed In-House.

Packard, Edward A.↗

NASA NTRS2003

The evolution of transcriptional regulation in eukaryotes

Gene expression is central to the genotype-phenotype relationship in all organisms, and it is an important component of the genetic basis for evolutionary change in diverse aspects of phenotype. However, the evolution of transcriptional regulation remains understudied and poorly understood. Here we review the evolutionary dynamics of promoter, or cis-regulatory, sequences and the evolutionary mechanisms that shape them. Existing evidence indicates that populations harbor extensive genetic variation in promoter sequences, that a substantial fraction of this variation has consequences for both biochemical and organismal phenotype, and that some of this functional variation is sorted by selection. As with protein-coding sequences, rates and patterns of promoter sequence evolution differ considerably among loci and among clades for reasons that are not well understood. Studying the evolution of transcriptional regulation poses empirical and conceptual challenges beyond those typically encountered in analyses of coding sequence evolution: promoter organization is much less regular than that of coding sequences, and sequences required for the transcription of each locus reside at multiple other loci in the genome. Because of the strong context-dependence of transcriptional regulation, sequence inspection alone provides limited information about promoter function. Understanding the functional consequences of sequence differences among promoters generally requires biochemical and in vivo functional assays. Despite these challenges, important insights have already been gained into the evolution of transcriptional regulation, and the pace of discovery is accelerating.

Review, Academic↗

NASA NTRS2011

NASA's Lunar Atmosphere and Dust Environment Explorer (LADEE)

Nearly 40 years have passed since the last Apollo missions investigated the mysteries of the lunar atmosphere and the question of levitated lunar dust. The most important questions remain: what is the composition, structure and variability of the tenuous lunar exosphere? What are its origins, transport mechanisms, and loss processes? Is lofted lunar dust the cause of the horizon glow observed by the Surveyor missions and Apollo astronauts? How does such levitated dust arise and move, what is its density, and what is its ultimate fate? The US National Academy of Sciences/National Research Council decadal surveys and the recent "Scientific Context for Exploration of the Moon" (SCEM) reports have identified studies of the pristine state of the lunar atmosphere and dust environment as among the leading priorities for future lunar science missions. These measurements have become particularly important since recent observations by the Lunar Crater Observation and Sensing Satellite (LCROSS) mission point to significant amounts of water and other volatiles sequestered within polar lunar cold traps. Moreover Chandrayaan/M3, EPOXI and Cassini/VIMS have identified molecular water and hydroxyl on lunar surface regolith grains. Variability in concentration suggests these species are likely to be present in the exosphere, and thus constitute a source for the cold traps. NASA s Lunar Atmosphere and Dust Environment Explorer (LADEE) is currently under development to address these goals. LADEE will determine the composition of the lunar atmosphere and investigate the processes that control its distribution and variability, including sources, sinks, and surface interactions. LADEE will also determine whether dust is present in the lunar exosphere, and reveal its sources and variability. LADEE s results are relevant to surface boundary exospheres and dust processes throughout the solar system, will address questions regarding the origin and evolution of lunar volatiles, and will have implications for future exploration activities. LADEE will be the first mission based on the Ames Common Bus design. LADEE employs a high heritage instrument payload: a Neutral Mass Spectrometer (NMS), an Ultraviolet/Visible Spectrometer (UVS), and the Lunar Dust Experiment (LDEX). It will also carry a space terminal as part of the Lunar Laser Communication Demonstration (LLCD), which is a technology demonstration. LLCD will also supply a ground terminal. LLCD is funded by the Space Operations Mission Directorate (SOMD), managed by GSFC, and built by MIT Lincoln Lab. NMS was directed to the Goddard Space Flight Center (GSFC) and UVS to Ames Research Center (ARC). LDEX was selected through the Stand Alone Missions of Opportunity Notice (SALMON) Acquisition Process, and is provided by the University of Colorado at Boulder. The LADEE NMS covers a m/z range of 2-150 and draws its design from mass spectrometers developed at GSFC for the MSL/SAM, Cassini Orbiter, CONTOUR, and MAVEN missions. The UVS instrument is a next-generation, high-reliability version of the LCROSS UV-Vis spectrometer, spanning 250-800 nm wavelength, with high (<1 nm) spectral resolution. UVS will also perform dust occultation measurements via a solar viewer optic. LDEX senses dust impacts in situ, at LADEE orbital altitudes of 50 km and below, with a particle size range of between 100 nm and 5 micron. Dust particle impacts on a large hemispherical target create electron and ion pairs. The latter are focused and accelerated in an electric field and detected at a microchannel plate. LADEE is an important part of NASA s portfolio of near-term lunar missions; launch is planned for May, 2013. The lunar atmosphere is the most accessible example of a surface boundary exosphere, and may reveal the sources and cycling of volatiles. Dynamic dust activity must be accounted for in the design and operation of lunar surface operations.

Elphic, Richard↗

NASA NTRS2002

Motion of Drops on Surfaces with Wettability Gradients

A liquid drop present on a solid surface can move because of a gradient in wettability along the surface, as manifested by a gradient in the contact angle. The contact angle at a given point on the contact line between a solid and a liquid in a gaseous medium is the angle between the tangent planes to the liquid and the solid surfaces at that point and is measured within the liquid side, by convention. The motion of the drop occurs in the direction of increasing wettability. The cause of the motion is the net force exerted on the drop by the solid surface because of the variation of the contact angle around the periphery. This force causes acceleration of an initially stationary drop, and leads to its motion in the direction of decreasing contact angle. The nature of the motion is determined by the balance between the motivating force and the resisting hydrodynamic force from the solid surface and the surrounding gaseous medium. A wettability gradient can be chemically induced as shown by Chaudhury and Whitesides who provided unambiguous experimental evidence that drops can move in such gradients. The phenomenon can be important in heat transfer applications in low gravity, such as when condensation occurs on a surface. Daniel et al have demonstrated that the velocity of a drop on a surface due to a wettability gradient in the presence of condensation can be more than two orders of magnitude larger than that observed in the absence of condensation. In the present research program, we have begun to study the motion of a drop in a wettability gradient systematically using a model system. Our initial efforts will be restricted to a system in which no condensation occurs. The experiments are performed as follows. First, a rectangular strip of approximate dimensions 10 x 20 mm is cut out of a silicon wafer. The strip is cleaned thoroughly and its surface is exposed to the vapor from an alkylchlorosilane for a period lasting between one and two minutes inside a desiccator. This is done using an approximate line source of the vapor in the form of a string soaked in the alkylchlorosilane. Ordinarily, many fluids, including water, wet the surface of silicon quite well. This means that the contact angle is small. But the silanized surface resists wetting, with contact angles that are as large as 100 degs. Therefore, a gradient of wettability is formed on the silicon surface. The region near the string is highly hydrophobic, and the contact angle decreases gradually toward a small value at the hydrophilic end away from this region. The change in wettability occurs over a distance of several mm. The strip is placed on a platform within a Plexiglas cell. Drops of a suitable liquid are introduced on top of the strip near the hydrophobic end. An optical system attached to a video camera is trained on the drop so that images of the moving drop can be captured on videotape for subsequent analysis. We have performed preliminary experiments with water as well as ethylene glycol drops. Results from these experiments will be presented in the poster. Future plans include the refinement of the experimental system so as to permit images to be recorded from the side as well as the top, and the conduct of a systematic study in which the drop size is varied over a good range. Experiments will be conducted with different fluids so as to obtain the largest possible range of suitably defined Reynolds and Capillary numbers. Also, an effort will be initiated on theoretical modeling of this motion. The challenges in the development of the theoretical description lie in the proper analysis of the region in the vicinity of the contact line, as well as in the free boundary nature of the problem. It is known that continuum models assuming the no slip condition all the way to the contact line fail by predicting that the stress on the solid surface becomes singular as the contact line is approached. One approach for dealing with this issue has been to relax the no-slip boundary condition using the Navier model. Molecular dynamics simulations of the contact line region show that for a non-polar liquid on a solid surface, the no-slip boundary condition is in fact incorrect near the contact line. Furthermore, the same simulations also show that the usual relationship between stress and the rate of deformation breaks down in the vicinity of the contact line. In developing continuum theoretical models of the system, we shall accommodate this knowledge to the extent possible.

Subramanian, R. Shankar↗