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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1993

The nonlinear Galerkin method: A multi-scale method applied to the simulation of homogeneous turbulent flows

Using results of Direct Numerical Simulation (DNS) in the case of two-dimensional homogeneous isotropic flows, the behavior of the small and large scales of Kolmogorov like flows at moderate Reynolds numbers are first analyzed in detail. Several estimates on the time variations of the small eddies and the nonlinear interaction terms were derived; those terms play the role of the Reynolds stress tensor in the case of LES. Since the time step of a numerical scheme is determined as a function of the energy-containing eddies of the flow, the variations of the small scales and of the nonlinear interaction terms over one iteration can become negligible by comparison with the accuracy of the computation. Based on this remark, a multilevel scheme which treats differently the small and the large eddies was proposed. Using mathematical developments, estimates of all the parameters involved in the algorithm, which then becomes a completely self-adaptive procedure were derived. Finally, realistic simulations of (Kolmorov like) flows over several eddy-turnover times were performed. The results are analyzed in detail and a parametric study of the nonlinear Galerkin method is performed.

Debussche, A.↗

NASA NTRS1999

Thermodynamic Data to 20,000 K For Monatomic Gases

This report contains standard-state thermodynamic functions for 50 gaseous atomic elements plus deuterium and electron gas, 51 singly ionized positive ions, and 36 singly ionized negative ions. The data were generated by the NASA Lewis computer program PAC97, a modified version of PAC91 reported in McBride and Gordon. This report is being published primarily to document part of the data currently being used in several NASA Lewis computer programs. The data are presented in tabular and graphical format and are also represented in the form of least-squares coefficients. The tables give the following data as functions of temperature : heat capacity, enthalpy, entropy Gibbs energy, enthalpy of formation, and equilibrium constant. A brief discussion and a comparison of calculated results are given for several models for calculating ideal thermodynamic data for monatomic gases.

Gordon, Sanford↗

NASA NTRS2000

Theoretical Technology Research for ISTP/SOLARMAX

During the last decade, we have been developing theoretical tools to support the scientific objectives of the International Solar Terrestrial Physics (ISTP) program. Results from our mission-oriented theory program have contributed significantly to the development of predictive capabilities by using real upstream solar wind conditions as input to our models and forecasting events observed downstream near Earth. We also developed the capability to unravel the complex information contained in ion velocity distribution functions measured near the Earth to determine their origin and energization process. During solar maximum, solar flares and coronal mass ejections (CMEs) dominate the sun's activity. It is now widely accepted that the impact of CMEs (or magnetic clouds) with the Earth's magnetosphere is the cause of most magnetic storms during solar maximum. One important aspect of a CME is the occurrence of solar energetic particle (SEP) events. During these events, protons, electrons, and heavy ions of solar origin are accelerated to very high energies by shock waves driven out from the sun. We carried out a series of large-scale kinetic (LSK) simulations to model the effect of SEPs on the near-Earth environment and the accessibility of these high-energy particles to the inner magnetosphere. We present the results of these studies.

Ashour-Abdalla, Maha↗

NASA NTRS1994

Dermal Aged and Fetal Fibroblasts Realign in Response to Mechanical Strain

Integrins specifically recognize and bind extracellular matrix components, providing physical anchor points and functional setpoints. Focal adhesion complexes, containing integrin and cytoskeletal proteins, are potential mechanoreceptors, poised to distribute applied forces through the cytoskeleton. Pursuing the hypothesis that cells both perceive and respond to external force, we applied a stretch/relaxation regimen to normal human fetal and aged dermal fibroblast monolayers cultured on flexible membranes. The frequency and magnitude of the applied force is precisely controlled by the Flexercell Unit(Trademark). A protocol of stretch (20% elongation of the monolayer) at a frequency of 6 cycles/min caused a progressive change from a randomly distributed pattern of cells to a symmetric, radial distribution with cells aligned parallel to the applied force. We have coined the term 'orienteering' as the process of active alignment of cells in response to applied force. Cytochalasin D was added in graded doses to investigate the role of the actin cytoskeleton in force perception and transmission. A clear dose response was found; at high concentrations orienteering was abolished; and the drug's impact was reversible. The two cell strains used were similar in their alignment behavior and in their responses to cytochalasin D. Orienteering was influenced by cell density, and the cell strains studied differed in this respect. Fetal cells, unlike their aged counterparts, failed to orient at high cell density. In both cell strains, mid-density cultures aligned rapidly and sparse cultures lagged. These results indicate that both cell-cell adhesion and cytoskeleton integrity are critical in mediating the orienteering response. Differences between these two cell strains may relate to their expression of extracellular matrix molecules (fibronectin, collagen type 1) integrins and their relative binding affinities.

Sawyer, Christine↗

NASA NTRS1995

On the Feasibility of Satellite Altimeter Tomography

The time-varying field of sea surface height (SSH) reflects a large number of dynamical processes including a broad range of baroclinic waves. Inertia-gravity (IG) and Rossby waves (RW) are readily detected in power spectra F(k) of SSH spatial variations, as well as in wavenumber-frequency spectral, ,k), and autocorrelation functions W(). these statistical characteristics contain information on dynamical processes in the upper thermocline. We show that the well-known 3-segment shape of 1-d spectra (based on SSH variations along satellite tracks) is determined by the Internal Rossby radius of deformation and by the degree of nonlinearity of baroclinic IG waves. Analyzing altimeter-based spectra of SSH variations in the light of a recently proposed theory for IG wave turbulence, we demonstrate that baroclinic IG waves are typically highly nonlinear. For a number of mid- and high-latitude regions, the internal Rossby radius and the wave nonlinearity are estimated from T/P data and shown to agree with expected values. The degree of the wave nonlinearity is of great practical interest. In particular, it tells us about the intensity of internal wave breaking. Furthermore, estimating the velocity of baroclinic RW we derive additional information on the upper layer stratification. These experiments point to the feasibility of using observed SSH field statistics (such F(k) and W()) to monitor properties of and dynamical processes in the upper mixed layer of the ocean.

Satellite Altimeter↗

NASA NTRS2008

Expressions Module for the Satellite Orbit Analysis Program

The Expressions Module is a software module that has been incorporated into the Satellite Orbit Analysis Program (SOAP). The module includes an expressions- parser submodule built on top of an analytical system, enabling the user to define logical and numerical variables and constants. The variables can capture output from SOAP orbital-prediction and geometric-engine computations. The module can combine variables and constants with built-in logical operators (such as Boolean AND, OR, and NOT), relational operators (such as >, <, or =), and mathematical operators (such as addition, subtraction, multiplication, division, modulus, exponentiation, differentiation, and integration). Parentheses can be used to specify precedence of operations. The module contains a library of mathematical functions and operations, including logarithms, trigonometric functions, Bessel functions, minimum/ maximum operations, and floating- point-to-integer conversions. The module supports combinations of time, distance, and angular units and has a dimensional- analysis component that checks for correct usage of units. A parser based on the Flex language and the Bison program looks for and indicates errors in syntax. SOAP expressions can be built using other expressions as arguments, thus enabling the user to build analytical trees. A graphical user interface facilitates use.

Edmonds, Karina↗

NASA NTRS2005

Optimal Estimation of Clock Values and Trends from Finite Data

We show how to solve two problems of optimal linear estimation from a finite set of phase data. Clock noise is modeled as a stochastic process with stationary dth increments. The covariance properties of such a process are contained in the generalized autocovariance function (GACV). We set up two principles for optimal estimation: with the help of the GACV, these principles lead to a set of linear equations for the regression coefficients and some auxiliary parameters. The mean square errors of the estimators are easily calculated. The method can be used to check the results of other methods and to find good suboptimal estimators based on a small subset of the available data.

stationary increments↗

NASA NTRS2011

The Planning Execution Monitoring Architecture

The Planning Execution Monitoring (PEM) architecture is a design concept for developing autonomous cockpit command and control software. The PEM architecture is designed to reduce the operations costs in the space transportation system through the use of automation while improving safety and operability of the system. Specifically, the PEM autonomous framework enables automatic performance of many vehicle operations that would typically be performed by a human. Also, this framework supports varying levels of autonomous control, ranging from fully automatic to fully manual control. The PEM autonomous framework interfaces with the core flight software to perform flight procedures. It can either assist human operators in performing procedures or autonomously execute routine cockpit procedures based on the operational context. Most importantly, the PEM autonomous framework promotes and simplifies the capture, verification, and validation of the flight operations knowledge. Through a hierarchical decomposition of the domain knowledge, the vehicle command and control capabilities are divided into manageable functional "chunks" that can be captured and verified separately. These functional units, each of which has the responsibility to manage part of the vehicle command and control, are modular, re-usable, and extensible. Also, the functional units are self-contained and have the ability to plan and execute the necessary steps for accomplishing a task based upon the current mission state and available resources. The PEM architecture has potential for application outside the realm of spaceflight, including management of complex industrial processes, nuclear control, and control of complex vehicles such as submarines or unmanned air vehicles.

Wang, Lui↗

NASA NTRS2014

Avionics Architectures for Exploration: Ongoing Efforts in Human Spaceflight

The field of Avionics is advancing far more rapidly in terrestrial applications than in spaceflight applications. Spaceflight Avionics are not keeping pace with expectations set by terrestrial experience, nor are they keeping pace with the need for increasingly complex automation and crew interfaces as we move beyond Low Earth Orbit. NASA must take advantage of the strides being made by both space-related and terrestrial industries to drive our development and sustaining costs down. This paper describes ongoing efforts by the Avionics Architectures for Exploration (AAE) project chartered by NASA's Advanced Exploration Systems (AES) Program to evaluate new avionic architectures and technologies, provide objective comparisons of them, and mature selected technologies for flight and for use by other AES projects. The AAE project team includes members from most NASA centers, and from industry. It is our intent to develop a common core avionic system that has standard capabilities and interfaces, and contains the basic elements and functionality needed for any spacecraft. This common core will be scalable and tailored to specific missions. It will incorporate hardware and software from multiple vendors, and be upgradeable in order to infuse incremental capabilities and new technologies. It will maximize the use of reconfigurable open source software (e.g., Goddard Space Flight Center's (GSFC's) Core Flight Software (CFS)). Our long-term focus is on improving functionality, reliability, and autonomy, while reducing size, weight, and power. Where possible, we will leverage terrestrial commercial capabilities to drive down development and sustaining costs. We will select promising technologies for evaluation, compare them in an objective manner, and mature them to be available for future programs. The remainder of this paper describes our approach, technical areas of emphasis, integrated test experience and results as of mid-2014, and future plans. As a part of the AES Program, we are encouraged to set aggressive goals and fall short if necessary, rather than to set our sights too low. We are also asked to emphasize providing our personnel with hands-on experience in development, integration, and testing. That we have embraced both of these philosophies will be evident in the descriptions below.

Goforth, Montgomery B.↗

NASA NTRS2017

Oxygen Candle Background for Subs and Space

"At any time and without warning, a submarine may have to remain submerged for several days on account of the presence of the enemy, or rough weather, or serious accident to the machinery. Fortunately such occurrences are rare; but every commanding officer must be prepared to meet such an emergency that will afford his men the greatest possible chance of survival." Reference (1) This quotation is taken from a review of submarine air purification technology published by the Bureau of Medicine and Surgery in 1919. At that time, the U.S. Navy had just begun to experiment with possible air purification devices and supplies of oxygen that might permit submarines to remain submerged longer that the untreated closed atmosphere would allow. Submariners were exposed to elevated levels of carbon dioxide and reduced levels of oxygen that would be considered completely unacceptable by current standards. It was a different world, but humans are still humans, and the requirements for safe and effective functioning in a self-contained environment are really unchanged. The maximum submergence time for submarines as published in that work was approximately 48 hours, reference (1) In early submarines, the preferred supply of oxygen was 1800 psig compressed gas bled into the boat as needed, references (1,2). The need for added oxygen was occasionally "measured" by the physiological impact on the crew rather than a reliable instrument, reference (1). The design of submarine oxygen supply was limited to approximately 25 day submerged operation, reference (2). It was not until 1958 that U.S. submarines were able to carry out dives beyond that period and necessitated new sources of oxygen, reference (2). A curious second source of oxygen at the time was compressed air vessels that were bled into the boat while "vitiated" air (air with reduced oxygen and elevated carbon dioxide) from the opposite end of the boat was compressed into waiting empty vessels, reference (1). The periodic use of pressurized air to control oxygen caused swings in ambient pressure that was uncomfortable to the crew, reference (1). As early as 1919, liquid oxygen was a commercially available product and its use on submarines was contemplated, reference (1). It is interesting that even at this date, 1919, the danger of oils or greases when exposed to compressed or liquid oxygen was recognized: "One precaution must be always taken. No oil or grease should be used in the gauge or fittings or a dangerous explosion may result."

Graf, John↗

NASA NTRSDate not supplied

Inflatable Softgoods Testing Capability Development for Habitation

The Habitation Systems Development Office (HP40) at NASA Marshall Space Flight Center supports systems engineering, integration, and project management for next generation space habitats. The office is responsible for formulation activities for Lunar Surface Habitat and Mars Transit Habitat. HP40 also manages commercial partnerships for exploration habitat development. The Lunar Surface Habitat is intended to initially support a minimum of two crew on the lunar surface for an approximately 30-day mission, with the ability to accommodate four crew for short durations. The Mars Transit Habitat will transport four crew to and from Mars orbit on a potentially 1,200 day mission. Both concepts are envisioned to leverage inflatable softgoods as the primary structural material for the habitation portion of the architecture. Inflatable softgoods are a complex, multi-material system consisting of multiple layers which perform specific functions. A bladder layer (polymer) contains the habitat’s atmosphere. The bladder is indexed to a woven restraint layer, usually Kevlar or Vectran, which serves as the structural layer. The remaining outer layers are for micro-meteoroid orbital debris (MMOD) shielding, protection from atomic Oxygen (if the material system is to be deployed in low earth orbit), and thermal insulation. The primary advantage of inflatable softgoods is that they can offer a larger volume per unit mass relative to a rigid metal structure. Inflatable softgoods have a strong development heritage within NASA, beginning with work in the 1960s in partnership with Goodyear Aerospace and continuing with Johnson Space Center’s TransHab project in the 1990s . Some development efforts subsequently transitioned into the private sector to mature the material technology for flight applications, including human habitation. In August 2022, NASA published its guidelines for certification of crewed inflatable softgoods structures (JSC-67721). This document outlines a series of tests which will be needed to certify inflatable softgoods material systems for use in crewed mission applications. It includes burst testing at the subscale and full-scale to determine the ultimate burst pressure of the softgoods architecture. Creep (long term deformation of the material under stress) is a key failure mode which must be characterized. Creep testing at the component and module levels is also recommended to generate time to failure curves and verify that the inflatable system has a predicted operational life which exceeds mission parameters. ET (Test Engineering) at MSFC and HP40 have worked together to establish softgoods testing capabilities for the center. This includes the ability to conduct module level burst tests and creep tests. The poster will highlight these capabilities and provide examples of testing which has been performed to date by ET. NASA MSFC anticipates that these test capabilities will continue to offer critical support for companies pursuing inflatable softgoods for exploration applications (lunar surface habitation, Mars transit) as well as commercial low earth orbit platforms.

habitation↗

DOE OSTI2013

Synthesis and Optical Properties of NuTaN2: Potential Solar Cell Applications

Layered CuTaN2 was synthesized by an ion exchange reaction of CuI and NaTaN2 as previously reported. Based on the results of EDX analysis, the Cu:Ta ratio of the CuTaN2 sample was 1:1 within the overall errors when examining powders of +/-10% and no Na was detected. The crystal structure and thermal stability of CuTaN2 was accurately determined by Rietveld analysis of the powder X-ray Diffraction profile and by TGA analysis, respectively. CuTaN2 crystallizes in a rhombohedral structure with space group R-3mH as shown in [figure 1]. CuTaN2 possesses a band gap of 1.53(x) eV, which is in reasonable agreement with density functional theory calculations of Cu containing nitrides. Similar materials may be even better suited for solar cell application.

14 SOLAR ENERGY↗

DOE OSTI2014

Why dissolved organic matter (DOM) enhances photodegradation of methylmercury

Methylmercury (MeHg) is known to degrade photochemically, but it remains unclear what roles naturally dissolved organic matter (DOM) and complexing organic ligands play in MeHg photodegradation. Here we investigate the rates and mechanisms of MeHg photodegradation using DOM samples with varying oxidation states and origins as well as organic ligands with known molecular structures. All DOM and organic ligands increased MeHg photodegradation under solar irradiation, but the first-order rate constants varied depending on the oxidation state of DOM and the type and concentration of the ligands. Compounds containing both thiols and aromatics (e.g., thiosalicylate and reduced DOM) increased MeHg degradation rates far greater than those containing only aromatic or thiol functional groups (e.g., salicylate or glutathione). Our results suggest that, among other factors, the synergistic effects of thiolate and aromatic moieties in DOM greatly enhance MeHg photodegradation.

demethylation↗

DOE OSTI2015

In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes

The present invention provides methods for catalyzing the conversion of an olefin to any compound containing one or more cyclopropane functional groups using heme enzymes. In certain aspects, the present invention provides a method for producing a cyclopropanation product comprising providing an olefinic substrate, a diazo reagent, and a heme enzyme; and admixing the components in a reaction for a time sufficient to produce a cyclopropanation product. In other aspects, the present invention provides heme enzymes including variants and fragments thereof that are capable of carrying out in vivo and in vitro olefin cyclopropanation reactions. Expression vectors and host cells expressing the heme enzymes are also provided by the present invention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A reproducibility study of "Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space"

Nigam et al. reported a genetic algorithm (GA) utilizing the SELFIES representation and also propose an adaptive, neural network-based penalty that is supposed to improve the diversity of the generated molecules. The main claims of the paper are that this GA outperforms other generative techniques (as measured by the penalized logP) and that a neural network-based adaptive penalty increases the diversity of the generated molecules. In this work, we investigated the reproducibility of their claims. Overall, we were able to reproduce comparable results using the SELFIES-based GA, but mostly by exploiting deficiencies of the (easily optimizable) fitness function (i.e., generating long, sulfur containing chains). In addition, we reproduce results showing that the discriminator can be used to bias the generation of molecules to ones that are similar to the reference set. Lastly, we attempted to quantify the evolution of the diversity, understand the influence of some hyperparameters, and propose improvements to the adaptive penalty.

Jablonka, Kevin Maik↗

DOE OSTI2021

Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes

Coelho, Pedro S.↗