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At least 631 records · Page 35

An ab initio investigation of possible intermediates in the reaction of the hydroxyl and hydroperoxyl radicals

Ab initio quantum chemical techniques have been used to investigate covalently-bonded and hydrogen-bonded species that may be important intermediates in the reaction of hydroxyl and hydroperoxyl radicals. Stable structures of both types were identified. Basic sets of polarized double-zeta quality and large scale configuration interaction wave functions have been utilized. Based upon electronic energies, the covalently-bonded HOOOH species is found to be 26.4 kcal/mol more stable than the OH and HO2 radicals. Similarly, the hydrogen-bonded HO-HO2 species is found to have an electronic energy 4.7 kcal/mol below that of the component radicals, after correction is made for the basis set superposition error. The hydrogen-bonded form is found to be planar, to possess one relatively 'normal' hydrogen bond, and to have lowest energy 3A-prime and 1A-prime states that are essentially degenerate. The 1A-double prime and 3A-double prime excited states produced by rotation of the unpaired OH electron into the molecular plane are found to be very slightly bound.

Jackels, C. F.↗

ALPS: A Linear Program Solver

ALPS is a computer program which can be used to solve general linear program (optimization) problems. ALPS was designed for those who have minimal linear programming (LP) knowledge and features a menu-driven scheme to guide the user through the process of creating and solving LP formulations. Once created, the problems can be edited and stored in standard DOS ASCII files to provide portability to various word processors or even other linear programming packages. Unlike many math-oriented LP solvers, ALPS contains an LP parser that reads through the LP formulation and reports several types of errors to the user. ALPS provides a large amount of solution data which is often useful in problem solving. In addition to pure linear programs, ALPS can solve for integer, mixed integer, and binary type problems. Pure linear programs are solved with the revised simplex method. Integer or mixed integer programs are solved initially with the revised simplex, and the completed using the branch-and-bound technique. Binary programs are solved with the method of implicit enumeration. This manual describes how to use ALPS to create, edit, and solve linear programming problems. Instructions for installing ALPS on a PC compatible computer are included in the appendices along with a general introduction to linear programming. A programmers guide is also included for assistance in modifying and maintaining the program.

Ferencz, Donald C.↗

Tidal Energy Available for Deep Ocean Mixing: Bounds from Altimetry Data

Maintenance of the large-scale thermohaline circulation has long presented a problem to oceanographers. Observed mixing rates in the pelagic ocean are an order of magnitude too small to balance the rate at which dense bottom water is created at high latitudes. Recent observational and theoretical work suggests that much of this mixing may occur in hot spots near areas of rough topography (e.g., mid-ocean ridges and island arcs). Barotropic tidal currents provide a very plausible source of energy to maintain these mixing processes. Topex/Poseidon (T/P) satellite altimetry data have made precise mapping of open ocean tidal elevations possible for the first time. We can thus obtain empirical, spatially localized, estimates of barotropic tidal dissipation. These provide an upper bound on the amount of tidal energy that is dissipated in the deep ocean, and hence is available for deep mixing. We will present and compare maps of open ocean tidal energy flux divergence, and estimates of tidal energy flux into shallow seas, derived from T/P altimetry data using both formal data assimilation methods and empirical approaches. With the data assimilation methods we can place formal error bars on the fluxes. Our results show that 20-25% of tidal energy dissipation occurs outside of the shallow seas, the traditional sink for tidal energy. This suggests that up to 1 TW of energy may be available from the tides (lunar and solar) for mixing the deep ocean. The dissipation indeed appears to be concentrated over areas of rough topography.

Egbert, Gary D.↗

Tidal Energy Available for Deep Ocean Mixing: Bounds from Altimetry Data

Maintenance of the large-scale thermohaline circulation has long presented an interesting problem. Observed mixing rates in the pelagic ocean are an order of magnitude too small to balance the rate at which dense bottom water is created at high latitudes. Recent observational and theoretical work suggests that much of this mixing may occur in hot spots near areas of rough topography (e.g., mid-ocean ridges and island arcs). Barotropic tidal currents provide a very plausible source of energy to maintain these mixing processes. Topex/Poseidon satellite altimetry data have made precise mapping of open ocean tidal elevations possible for the first time. We can thus obtain empirical, spatially localized, estimates of barotropic tidal dissipation. These provide an upper bound on the amount of tidal energy that is dissipated in the deep ocean, and hence is available for deep mixing. We will present and compare maps of open ocean tidal energy flux divergence, and estimates of tidal energy flux into shallow seas, derived from T/P altimetry data using both formal data assimilation methods and empirical approaches. With the data assimilation methods we can place formal error bars on the fluxes. Our results show that 20-25% of tidal energy dissipation occurs outside of the shallow seas, the traditional sink for tidal energy. This suggests that up to 1 TW of energy may be available from the tides (lunar and solar) for mixing the deep ocean. The dissipation indeed appears to be concentrated over areas of rough topography.

Ray, Richard D.↗

Tidal Energy Available for Deep Ocean Mixing: Bounds From Altimetry Data

Maintenance of the large-scale thermohaline circulation has long presented a problem to oceanographers. Observed mixing rates in the pelagic ocean are an order of magnitude too small to balance the rate at which dense bottom water is created at high latitudes. Recent observational and theoretical work suggests that much of this mixing may occur in hot spots near areas of rough topography (e.g., mid-ocean ridges and island arcs). Barotropic tidal currents provide a very plausible source of energy to maintain these mixing processes. Topex/Poseidon satellite altimetry data have made precise mapping of open ocean tidal elevations possible for the first time. We can thus obtain empirical, spatially localized, estimates of barotropic tidal dissipation. These provide an upper bound on the amount of tidal energy that is dissipated in the deep ocean, and hence is available for deep mixing. We will present and compare maps of open ocean tidal energy flux divergence, and estimates of tidal energy flux into shallow seas, derived from T/P altimetry data using both formal data assimilation methods and empirical approaches. With the data assimilation methods we can place formal error bars on the fluxes. Our results show that 20-25% of tidal energy dissipation occurs outside of the shallow seas, the traditional sink for tidal energy. This suggests that up to 1 TW of energy may be available from the tides (lunar and solar) for mixing the deep ocean. The dissipation indeed appears to be concentrated over areas of rough topography.

Egbert, Gary D.↗

Direct Retrieval of Sulfur Dioxide Amount and Altitude from Spaceborne Hyperspectral UV Measurements: Theory and Application

We describe the physical processes by which a vertically localized absorber perturbs the top-of-atmosphere solar backscattered ultraviolet (UV) radiance. The distinct spectral responses to perturbations of an absorber in its column amount and layer altitude provide the basis for a practical satellite retrieval technique, the Extended Iterative Spectral Fitting (EISF) algorithm, for the simultaneous retrieval of these quantities of a SO2 plume. In addition, the EISF retrieval provides an improved UV aerosol index for quantifying the spectral contrast of apparent scene reflectance at the bottom of atmosphere bounded by the surface and/or cloud; hence it can be used for detection of the presence or absence of UV absorbing aerosols. We study the performance and characterize the uncertainties of the EISF algorithm using synthetic backscattered UV radiances, retrievals from which can be compared with those used in the simulation. Our findings indicate that the presence of aerosols (both absorbing and nonabsorbing) does not cause large errors in EISF retrievals under most observing conditions when they are located below the SO2 plume. The EISF retrievals assuming a homogeneous field of view can provide accurate column amounts for inhomogeneous scenes, but they always underestimate the plume altitudes. The EISF algorithm reduces systematic errors present in existing linear retrieval algorithms that use prescribed SO2 plume heights. Applying the EISF algorithm to Ozone Monitoring Instrument satellite observations of the recent Kasatochi volcanic eruption, we demonstrate the successful retrieval of effective plume altitude of volcanic SO2, and we also show the improvement in accuracy in the corresponding SO2 columns.

Yang, Kau↗

Upper bound and probable value of the rate constant of the reaction OH + HO2 yields H2O + O2

Discharge-flow experiments at 295 K of the OH + HO2 reaction are described in which excess O3 is added to OH through a movable injector; OH concentration is measured downstream by resonance fluorescence with and without addition of excess NO just upstream of the detector so that both OH concentration and OH concentration + HO2 concentration are determined independently. The data are compared with a computer model involving 12 reaction steps. A simple sensitivity analysis is carried out to establish how errors in the other 'known' rate constants affect the data fit. Best agreement is obtained between computer calculations and experiments when k1 for the OH + HO2 reaction is in the range 2-3 x 10 to the -11th cu cm/s. Values above about 5 x 10 to the -11th are very unlikely whereas those below about 1 x 10 to the -11th are less strongly excluded.

Chang, J. S.↗

Comments on containerless bulk crystal growth and epitaxy in space and on their implications regarding non-contact temperature measurements

Containerless methods are sought for bulk crystal growth and epitaxy which thus far are a less visible component of materials science in space efforts. In the opinion of the author, this is an anomaly which ought to be corrected, because container interactions are a major problem in earth bound materials processing, including crystal growth, and can be avoided or at least significantly reduced in space. The space environment is unique in solving some of these problems, e.g., memory effects in the integration of different classes of materials in high resolution multilayer heterostructures by molecular beam epitaxy or organometallic molecular beam epitaxy. Spectroscopic method of noncontact temperature measurements exist that could be developed in this context. The error in the absolute temperature measurement achieved by these techniques decreases with decreasing substrate temperature and supplements pyrometric measurements that are better suited for high temperature measurements.

Bachmann, Klaus J.↗

First Principles Modeling of the Thermal Amine Scrubber Flight Experiment’s Chemical Performance

The removal of atmospheric CO2 from a spacecraft is of particular importance to NASA’s mission, and is an area of continual study and technological advancement. One of the more recent advancements has been with reusable sorbents being regenerated with a combination of heat and vacuum. One such technology is the Thermal Amine Scrubber (TAS) flight experiment on the ISS, though several others are currently flying or preparing to fly. A model was created of the TAS to predict chemical performance, using fundamental chemistry and physics based on principles rather than empirical relations. Since the physical laws are true across all conditions, such a model enables greater model accuracy outside the bounds of test data, and allows for virtual testing of the hardware at conditions that are prohibitively difficult or expensive to actually test. This paper details the model’s development, operation, and correlation to data from the flight unit. The model is then compared to a data set taken from the flight unit under different flow, CO2 partial pressure, and bed configuration conditions, resulting in only a 2% error. The equations and principles laid forth in this paper are applicable to a wide range of thermally regenerated sorbents, and additional models of a similar nature would allow for potentially the most straightforward and direct method of comparison of technologies available to date.

CO2 removal↗

Smart-Divert Powered Descent Guidance to Avoid the Backshell Landing Dispersion Ellipse

A smart-divert capability has been added into the Powered Descent Guidance (PDG) software originally developed for Mars pinpoint and precision landing. The smart-divert algorithm accounts for the landing dispersions of the entry backshell, which separates from the lander vehicle at the end of the parachute descent phase and prior to powered descent. The smart-divert PDG algorithm utilizes the onboard fuel and vehicle thrust vectoring to mitigate landing error in an intelligent way: ensuring that the lander touches down with minimum- fuel usage at the minimum distance from the desired landing location that also avoids impact by the descending backshell. The smart-divert PDG software implements a computationally efficient, convex formulation of the powered-descent guidance problem to provide pinpoint or precision-landing guidance solutions that are fuel-optimal and satisfy physical thrust bound and pointing constraints, as well as position and speed constraints. The initial smart-divert implementation enforced a lateral-divert corridor parallel to the ground velocity vector; this was based on guidance requirements for MSL (Mars Science Laboratory) landings. This initial method was overly conservative since the divert corridor was infinite in the down-range direction despite the backshell landing inside a calculable dispersion ellipse. Basing the divert constraint instead on a local tangent to the backshell dispersion ellipse in the direction of the desired landing site provides a far less conservative constraint. The resulting enhanced smart-divert PDG algorithm avoids impact with the descending backshell and has reduced conservatism.

Carson, John M.↗

Board Level Proton Testing Book of Knowledge for NASA Electronic Parts and Packaging Program

This book of knowledge (BoK) provides a critical review of the benefits and difficulties associated with using proton irradiation as a means of exploring the radiation hardness of commercial-off-the-shelf (COTS) systems. This work was developed for the NASA Electronic Parts and Packaging (NEPP) Board Level Testing for the COTS task. The fundamental findings of this BoK are the following. The board-level test method can reduce the worst case estimate for a board's single-event effect (SEE) sensitivity compared to the case of no test data, but only by a factor of ten. The estimated worst case rate of failure for untested boards is about 0.1 SEE/board-day. By employing the use of protons with energies near or above 200 MeV, this rate can be safely reduced to 0.01 SEE/board-day, with only those SEEs with deep charge collection mechanisms rising this high. For general SEEs, such as static random-access memory (SRAM) upsets, single-event transients (SETs), single-event gate ruptures (SEGRs), and similar cases where the relevant charge collection depth is less than 10 μm, the worst case rate for SEE is below 0.001 SEE/board-day. Note that these bounds assume that no SEEs are observed during testing. When SEEs are observed during testing, the board-level test method can establish a reliable event rate in some orbits, though all established rates will be at or above 0.001 SEE/board-day. The board-level test approach we explore has picked up support as a radiation hardness assurance technique over the last twenty years. The approach originally was used to provide a very limited verification of the suitability of low cost assemblies to be used in the very benign environment of the International Space Station (ISS), in limited reliability applications. Recently the method has been gaining popularity as a way to establish a minimum level of SEE performance of systems that require somewhat higher reliability performance than previous applications. This sort of application of the method suggests a critical analysis of the method is in order. This is also of current consideration because the primary facility used for this type of work, the Indiana University Cyclotron Facility (IUCF) (also known as the Integrated Science and Technology (ISAT) hall), has closed permanently, and the future selection of alternate test facilities is critically important. This document reviews the main theoretical work on proton testing of assemblies over the last twenty years. It augments this with review of reported data generated from the method and other data that applies to the limitations of the proton board-level test approach. When protons are incident on a system for test they can produce spallation reactions. From these reactions, secondary particles with linear energy transfers (LETs) significantly higher than the incident protons can be produced. These secondary particles, together with the protons, can simulate a subset of the space environment for particles capable of inducing single event effects (SEEs). The proton board-level test approach has been used to bound SEE rates, establishing a maximum possible SEE rate that a test article may exhibit in space. This bound is not particularly useful in many cases because the bound is quite loose. We discuss the established limit that the proton board-level test approach leaves us with. The remaining possible SEE rates may be as high as one per ten years for most devices. The situation is actually more problematic for many SEE types with deep charge collection. In cases with these SEEs, the limits set by the proton board-level test can be on the order of one per 100 days. Because of the limited nature of the bounds established by proton testing alone, it is possible that tested devices will have actual SEE sensitivity that is very low (e.g., fewer than one event in 1 × 10(exp 4) years), but the test method will only be able to establish the limits indicated above. This BoK further examines other benefits of proton board-level testing besides hardness assurance. The primary alternate use is the injection of errors. Error injection, or fault injection, is something that is often done in a simulation environment. But the proton beam has the benefit of injecting the majority of actual SEEs without risk of something being missed, and without the risk of simulation artifacts misleading the SEE investigation.

Guertin, Steven M.↗

Reexamination of the Edge Crack Torsion Test for Determining the Mode III Delamination Toughness of Laminated Composites

The edge crack torsion (ECT) test is reexamined to address two primary concerns with this method. The first of these relates to inconsistencies in the data reduction procedure that was originally proposed and is most commonly used to compute the mode III interlaminar fracture toughness, G(sub IIIc), from the experimental data. The second relates to the observation that plies neighboring the preimplanted insert in the standard ECT layup are unable to contain initiation and growth of intralaminar cracks, and that growth of these cracks contributes to errors in the apparent values of G(sub IIIc). To address these issues, an alternative data reduction technique, which uses a polynomial expression to represent the ECT specimen’s compliance versus crack length relation, is proposed. The accuracy and potential drawbacks of this expression are investigated using FE simulations. Next, seven groups of ECT specimens are fabricated and tested. Each of these groups contains specimens with preimplanted inserts that are bounded by plies at different +q and -q orientations. The seven groups consist of values of q that vary from 0° to 90° in 15° increments. Tests on these specimens show that intralaminar cracking occurs in specimens from all batches except those for which q equals 15° or 30°. However, values of G(sub IIIc) measured using specimens with these two ply orientations were not equal and, for q = 30°, the values of G(sub IIIc) that were obtained were not completely independent of initial starter crack length. Potential issues accounting for these observations and other challenges associated with measuring G(sub IIIc) using the ECT test are discussed.

Polymer matrix composites↗

Resilience Modeling in Complex Engineered Systems with Human-Machine Interactions

In recent times, there has been a growing interest in resilience-based design. Resilience-based design operates on the concept that failures and unexpected events will happen, and when they occur, complex engineered systems should be able to operate within acceptable bounds and recover reasonably. Humans can contribute to the resilience of a system by quickly detecting unforeseen events and taking corrective measures. To this effect, researchers have proposed guidelines and design approaches that can help promote human-system resilience. However, there is no early design stage tool to validate if a system is indeed resilient after applying these guidelines and design methods. In this research, we integrate the Human Error and Functional Failure Reasoning (HEFFR) framework into the fmdtools toolkit to enable designers to model the combined (machine, human, and joint) failures, including their propagation and dynamic effects, during early design stages. This integrated tool also allows designers to model the effects of performance shaping factors, team dynamics, and human-machine interactions in systems of systems. A demonstrative example of a remotely operated rover is explored to demonstrate how this approach can be applied to understand resilience in complex engineered systems with human interactions.

Lukman Irshad↗

The sodium chloride primary pressure gauge

The failure of a central force model for sodium chloride is discussed. It is noted that it does not closely satisfy the Cauchy conditions at low temperatures, and that it fails the central force requirement of the Love condition. The available shock data for sodium chloride and its analysis is examined, and two reasons why the Hugoniot transformation pressure is likely to be less than 231 kbar are discussed. The important (but unjustified) theoretical assumptions made in converting Hugoniot to isothermal data is discussed; it is noted that serious error can enter for very large pressures for a given material and that at such high pressures the isothermal data should thus be considered only semiquantitative even if the Hugoniot data itself is accurate. An alternate method of estimating the isothermal transformation pressure from the Hugoniot transformation pressure is used. This method is based on the temperature derivative of the transformation pressure. On this basis it is concluded that an upper bound for the isothermal transformation of NaCl (to a CsCl-type structure) at room temperature is 257 kbar; it is noted that the actual value may be considerably less than this.

Ruoff, A. L.↗

Estimating Rates Of Single-Event Upsets

Mathematical model yields estimates of upper and lower bounds on rates of single-event upsets (SEU's) in logic circuits. SEU's are reversible changes in logic states, caused by single high-energy ions. Energetic ions passed through device along tracks perpendicular to surface, to determine parameters of model. Used to estimate rates caused by ions of various energies incident at arbitrary angles. Useful in design of integrated circuits as high-density memories for minimal susceptibility to bit errors.

Zoutendyk, John A.↗

Minimax confidence intervals in geomagnetism

The present paper uses theory of Donoho (1989) to find lower bounds on the lengths of optimally short fixed-length confidence intervals (minimax confidence intervals) for Gauss coefficients of the field of degree 1-12 using the heat flow constraint. The bounds on optimal minimax intervals are about 40 percent shorter than Backus' intervals: no procedure for producing fixed-length confidence intervals, linear or nonlinear, can give intervals shorter than about 60 percent the length of Backus' in this problem. While both methods rigorously account for the fact that core field models are infinite-dimensional, the application of the techniques to the geomagnetic problem involves approximations and counterfactual assumptions about the data errors, and so these results are likely to be extremely optimistic estimates of the actual uncertainty in Gauss coefficients.

Stark, Philip B.↗

An energy-dependent map of the X-ray emission of the Perseus cluster

Results are discussed for X-ray scans of the Perseus cluster with the SAS 3 slat detectors. Counting rates in two broadband channels (1.5 to 5.5 keV and 5.5 to 15.5 keV) are compared as a function of the instrument scan angle measured from the center of emission, and it is found that the emission in the higher energy range is broader in extent. Tests for a systematic energy-dependent error in the background demonstrate that the discovered energy dependence of the Perseus cluster emission is valid. Iron line emission is determined by two methods, various models are fitted to the data, and the total cluster emission in the two energy ranges is computed. The iron line emission is determined to be 0.003 photon/sq cm per sec. It is concluded that the diffuse emission increases in the range from 1.5 to 15.5 keV within the bounds of a model involving a point source with a radius not exceeding about 3 arcmin plus a diffuse source.

Ulmer, M. P.↗

Considerations for Isochronous Data Services over the Proximity-1 Space Link

Future mission concepts for robotic and human explorations will involve a high level of real time control/monitoring operations such as tele-operation for spacecraft rendezvous and surface mobile platforms carrying life-support equipments. The timely dissemination of voice, command, and real-time telemetry for monitoring and coordination purposes is critical for mission success. It is envisioned that future missions will require a network infrastructure capable of supporting isochronous data services. The CCSDS Proximity-1 Space Link Protocol1 could be used to provide isochronous service over the surface-to-Earth relay as well as "beyond-the-horizon" communications between distant Lunar or Mars surface elements. This paper will analyze the latency, jitter, and throughput performance of the Proximity-1 protocol for isochronous applications. In particular we will focus on constrained scenarios where the protocol operates in full-duplex mode, carrying isochronous traffic in one direction and error-controlled traffic in the other direction. We analyze the impact of the strict priority scheme in Proximity-1 on delay jitter and the impact of the isochronous traffic on the efficiency of the reliable data transfer in the other direction, and discuss methods for performance optimization. In general, jitter performance is driving by relative loading of isochronous traffic on the forward link compared to the acknowledgement traffic. Under light loading condition, the upper-bound of the delay jitter is the transmission duration of an acknowledgement frame on the forward link; for higher loading scenarios, the maximum jitter is scaled up by the inverse of the residual bandwidth, i.e., the spare capacity available in the forward link to carry isochronous traffic.

isochronous communications↗