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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Restore-L Satellite Servicing Internship Final Report

An experiment was conducted to determine whether a sample of shorter flexible metal hoses could sustain tensile loads of up to 200 lbf and continue to meet the minimum mission requirements. The purpose of this experiment was to determine if tension loads during the processing of the hoses compromise performance. With this information, it will be decided whether the flight flex-hose manufacturer should proceed with the testing of the full-scale flex-hoses. To reduce the time and funding required for this test, a test fixture was designed and assembled in the Engineering Development & Operations (EDO) test facility. In this test fixture, two Engineering Development Unit (EDU) flex-hoses were loaded with free floating weights up to 350 lbf. A load of 200 lbf equates to the maximum expected loading with a margin of safety, thus all data recorded after 200 lbf was purely for reference. Measurements were taken using a tape measure and a custom datum measurement system to record the loaded and unloaded length of each flex-hose at various loads. Any permanent stretching beyond a 1/8th of an inch was indicative of inelastic yielding. The loading of each flex-hose was done with an initial weight 80 lbf and was increased to 100 lbf. Additional loading up to 350 lbf was done by 50 lbf increments thereafter. During the performance of the test, slippage occurred in the mounting of the flex-hoses in the test fixture. The first slippage occurred during the testing of the first flex-hose due to the collar of the flex-hose slipping within the collet of the top Kellem. As a result, the first flex-hose test was terminated early to modify the fixture. Due to the flex-hose not inelastically yielding, the test was repeated on the first flex hose. This test resulted in another instance of slippage in the upper collar of the Kellem due to tape interfering with the securing of a collet around the collar of the flex-hose. The test was then continued with one more slippage of the flex-hose within the collet of the bottom Kellem. Preventive measures were taken for future slippage, and the second hose remained secure during testing.Once the tests were concluded, the elongation of each hose was analyzed for inelastic yielding. Both flex-hoses stretched a measurable and repeatable amount under loading, however, this stretching was recovered once each hose was unloaded. As a result, both EDU flex-hoses did not experience any inelastic yielding during the tension testing. Once received, one additional flex-hose will be tested for yielding, but at the time of this paper, the recommendation is to proceed with testing of the full-scale flex-hoses at the flex-hose manufacturer.

Dziekan, Joseph↗
NASA NTRSDate not supplied

ncompare: A Python Package for Comparing netCDF Structures

Earth science researchers and data engineers have a common problem: they often need to compare data files to see what is different between them. A lot of time is spent developing code to test differences. When it comes to comparing multidimensional data file formats like netCDFs (Network Common Data Form), this is particularly challenging and time-consuming, since there is frequently a need to evaluate the differences between dimension sizes, variable structures, and variable attributes, especially for regression testing. Since netCDFs are widely used in Earth science — with climate models, oceanographic or atmospheric reanalyses, and observational data — improved means of evaluating netCDF files can help enable a wide range of applications. We have developed a reusable open source approach through `ncompare`, which is a Python package for comparing netCDF structures [[https://github.com/nasa/ncompare]]. The `ncompare` tool compares the structure of two Network Common Data Form (NetCDF) files at the command line. It facilitates rapid comparisons by generating a formatted display of the matching and non-matching groups, variables, and associated metadata between two NetCDF datasets. The user has the option to colorize the terminal output for ease of viewing, and `ncompare` can optionally save comparison reports in text, comma-separated value (CSV), and/or Microsoft Excel formats. Despite the availability of tools (such as ncmpidiff or nccmp) that compare the values of variables, there was not previously a readily available, Python-based tool for rapid visual comparisons of group and variable structures, attributes, and chunking. `ncompare` was developed at NASA’s Atmospheric Science Data Center (ASDC) and is a collaboration with NASA Openscapes [[https://nasa-openscapes.github.io]] mentors across 11 of NASA’s data centers. Openscapes’ overarching vision is to support scientific researchers using NASA Earthdata as they migrate their workflows to the cloud. Relevant links: - https://github.com/nasa/ncompare - https://github.com/pyOpenSci/software-submission/issues/146 - https://nasa-openscapes.github.io

Daniel Kaufman↗
DOE OSTI2020

Observation of single-defect memristor in an MoS2 atomic sheet

Non-volatile resistive switching, also known as memristor effect, where an electric field switches the resistance states of a two-terminal device, has emerged as an important concept in the development of high-density information storage, computing and reconfigurable systems. The past decade has witnessed substantial advances in non-volatile resistive switching materials such as metal oxides and solid electrolytes. It was long believed that leakage currents would prevent the observation of this phenomenon for nanometre-thin insulating layers. However, the recent discovery of non-volatile resistive switching in two-dimensional monolayers of transition metal dichalcogenide and hexagonal boron nitride sandwich structures (also known as atomristors) has refuted this belief and added a new materials dimension owing to the benefits of size scaling. Here we elucidate the origin of the switching mechanism in atomic sheets using monolayer MoS 2 as a model system. Atomistic imaging and spectroscopy reveal that metal substitution into a sulfur vacancy results in a non-volatile change in the resistance, which is corroborated by computational studies of defect structures and electronic states. These findings provide an atomistic understanding of non-volatile switching and open a new direction in precision defect engineering, down to a single defect, towards achieving the smallest memristor for applications in ultra-dense memory, neuromorphic computing and radio-frequency communication systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Linear Viscoelastic Properties of Putative Cyclic Polymers Synthesized by Reversible Radical Recombination Polymerization (R3P)

Linear viscoelastic properties in both melt and solution states are reported for a series of poly(3,6-dioxa-1,8-octanedithiol) (polyDODT) made by reversible radical recombination polymerization (R 3 P) under conditions designed to produce linear (LDODT), cyclic (RDODT) and linear-cyclic mixtures (LRDODT). PolyDODT is amorphous (T g < -50 °C) and highly flexible (entanglement molecular weight M e,lin ≈ 1850 g/mol for LDODT). PolyDODT’s low T g and low M e,lin enable characterization over a wide dynamic range and a wide range of dimensionless weight-average molecular weight Z w = M w /M e,lin . Measurements at temperatures from -57 °C to 100 °C provide up to 18 deades of reduced frequency, which is necessary to characterize RDODT melts with Z w from 23 to 300. The two highest molecular weight polymers in the present RDODT series have such high M w (406k and 556k g/mol) that mass spectrometry, NMR spectroscopy, and even chemical assays for chain ends are unable to rule out up to 2 mol% linear contaminant. By studying the samples in solution (using dilution to reduce Z w ) we could compare their dynamics with those of previously established high-purity polystyrene (PS) rings (limited to Z w ≤ 13.6). RDODT solutions with Z w < 15 (concentrations <5wt% for RDODT-406k and 556k) have dynamic moduli G^* that accord with LCCC-purified PS rings in terms of the frequency dependence (including the absence of a plateau), the progression of shapes of G* as a function of Z w , and the linear scaling of their zero-shear viscosity η0 with M w . The shape of G* as a function of Z w for solutions of RDODT-406k and -556k also accord with lower M w RDODT melts (which have ≤ 1.3mol% linear contaminant). Thus, measurement of the linear viscoelastic properties of appropriate concentrations of high M w (>200k g/mol) putative cyclic polymers, in which linear chains evade spectroscopic detection, may provide an alternative means (though not fully proven) of validation of sample purity. When Z w > 15 (including all seven RDODT melts and eight of their solutions), G* has a rubbery plateau. This suggests that the onset of entanglement-like behavior in rings requires 4-5-fold greater Z w than is required for linear chains. Further, the plateau moduli of RDODT samples are indistinguishable from G N o of the corresponding LDODT (melt or matched-concentration solutions). In entangled linear polymers, the observation that G N o is independent of Z w follows from limitations on lateral fluctuations due to neighboring chains becoming independent of position along a given chain. The present results for RDODT suggest that this holds for sufficiently long endless chains, too. While the RDODT have the same G N o as entangled LDODT, when Z w > 60 the terminal relaxation, if reached at all, of RDODT extends to orders of magnitude lower frequency than an entangled linear polymer of the same Z w . Consequently, the viscosity of RDODT with Z w > 60 increases with Z w much more strongly than the 3.4-power observed for entangled linear polymers. Lastly, these novel polymers, with disulfide-linked backbone and broad relaxation time distribution may prove important in relation to biodegradable elastomers and materials with exceptional low-frequency dissipation, extending at least 12 decades below the onset of the rubbery plateau.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Identification of a pathway for electron uptake in Shewanella oneidensis

Extracellular electron transfer (EET) could enable electron uptake into microbial metabolism for the synthesis of complex, energy dense organic molecules from CO 2 and renewable electricity. Theoretically EET could do this with an efficiency comparable to H 2 -oxidation but without the need for a volatile intermediate and the problems it causes for scale up. However, significant gaps remain in understanding the mechanism and genetics of electron uptake. For example, studies of electron uptake in electroactive microbes have shown a role for the Mtr EET complex in the electroactive microbe Shewanella oneidensis MR-1, though there is substantial variation in the magnitude of effect deletion of these genes has depending on the terminal electron acceptor used. This speaks to the potential for previously uncharacterized and/or differentially utilized genes involved in electron uptake. To address this, we screened gene disruption mutants for 3667 genes, representing ≈99% of all nonessential genes, from the S. oneidensis whole genome knockout collection using a redox dye oxidation assay. Confirmation of electron uptake using electrochemical testing allowed us to identify five genes from S. oneidensis that are indispensable for electron uptake from a cathode. Knockout of each gene eliminates extracellular electron uptake, yet in four of the five cases produces no significant defect in electron donation to an anode. This result highlights both distinct electron uptake components and an electronic connection between aerobic and anaerobic electron transport chains that allow electrons from the reversible EET machinery to be coupled to different respiratory processes in S. oneidensis. Homologs to these genes across many different genera suggesting that electron uptake by EET coupled to respiration could be widespread. These gene discoveries provide a foundation for: studying this phenotype in exotic metal-oxidizing microbes, genetic optimization of electron uptake in S. oneidensis; and genetically engineering electron uptake into a highly tractable host like E. coli to complement recent advances in synthetic CO2 fixation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Observation of current-induced switching in non-collinear antiferromagnetic IrMn 3 by differential voltage measurements

There is accelerating interest in developing memory devices using antiferromagnetic (AFM) materials, motivated by the possibility for electrically controlling AFM order via spin-orbit torques, and its read-out via magnetoresistive effects. Recent studies have shown, however, that high current densities create non-magnetic contributions to resistive switching signals in AFM/heavy metal (AFM/HM) bilayers, complicating their interpretation. Here we introduce an experimental protocol to unambiguously distinguish current-induced magnetic and nonmagnetic switching signals in AFM/HM structures, and demonstrate it in IrMn 3 /Pt devices. A six-terminal double-cross device is constructed, with an IrMn 3 pillar placed on one cross. The differential voltage is measured between the two crosses with and without IrMn 3 after each switching attempt. For a wide range of current densities, reversible switching is observed only when write currents pass through the cross with the IrMn 3 pillar, eliminating any possibility of non-magnetic switching artifacts. Micromagnetic simulations support our findings, indicating a complex domain-mediated switching process.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Array of Graphene Variable Capacitors on 100 mm Silicon Wafers for Vibration-Based Applications

Highly flexible, electrically conductive freestanding graphene membranes hold great promise for vibration-based applications. This study focuses on their integration into mainstream semiconductor manufacturing methods. We designed a two-mask lithography process that creates an array of freestanding graphene-based variable capacitors on 100 mm silicon wafers. The first mask forms long trenches terminated by square wells featuring cone-shaped tips at their centers. The second mask fabricates metal traces from each tip to its contact pad along the trench and a second contact pad opposite the square well. A graphene membrane is then suspended over the square well to form a variable capacitor. The same capacitor structures were also built on 5 mm by 5 mm bare dies containing an integrated circuit underneath. We used atomic force microscopy, optical microscopy, and capacitance measurements in time to characterize the samples.

36 MATERIALS SCIENCE↗
DOE OSTI2025

SULI Deliverables Using: Python-B1500 [Slides]

A new electrical setup for testing ECRAM devices is described in this presentation. This presentation details the background of ECRAM devices, how the B1500 is used to program ECRAM devices, and the python GUI that was created for controlling the B1500. ECRAM devices are a form of non-volatile memory. The stored data is the resistance between two of the terminals on the device. Using only the B1500, the ECRAM devices can be programmed and the state read out. This creates a simple, logical testing setup. The overall setup was successful, ECRAM devices could easily be programmed and measured. However, there is still room for improvement. Specifically, in the creation of an automated “Program” feature and a “Data Collection” feature. These features will require additional advances in the understanding of ECRAM devices but will greatly automate and improve the current data collection and application of ECRAM devices.

42 ENGINEERING↗
NASA NTRS1986

Space Shuttle filament wound case compressive strength study. I - Testing

Immediately before liftoff, ignition of the Space Shuttle main engines places a significant bending moment on the filament wound cases of the solid rocket booster motors. This results in substantial compressive loading of the aft end of the composite case which, because of attachment requirements, has a complicated design including inserted broadgoods and helical ply dropoffs. To investigate the performance of the filament wound cases during the prelaunch load environment, a comprehensive study was initiated which included both testing and analysis. The results of the test program, which included testing of several full-scale and over three hundred subscale articles, will be described. The test program began with a short development effort to establish appropriate subscale test specimens for determining the material compressive strengths. Once these were established, a more comprehensive test program was initiated to determine the effects on strength of both processing and design changes. Full-scale cases were tested in a simulated prelaunch bending environment in order to validate the analysis predictions. In all tests, special attention was given to observation of the failure sequence which involved a complex process of load transfer from the region of helical ply dropoffs to the broadgood termination region.

Madsen, C. B.↗
NASA NTRS2016

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome converted existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code when the internship started, but that has changed throughout my internship. Conversion of C++ codes to ROS enabled existing code to be compatible with ROS, and is now controlled using an existing PS3 controller. Furthermore, my job description was to design ROS messages and script programs that enabled assets to participate in the ROS ecosystem by subscribing and publishing messages. Software programming source code is written in directories using C++. Testing of software assets included compiling code within the Linux environment using a terminal. The terminal ran the code from a directory. Several problems occurred while compiling code and the code would not compile. So modifying code to where C++ can read the source code were made. Once the code was compiled and ran, the code was uploaded to Hexapod and then controlled by a PS3 controller. The project outcome has the Hexapod fully functional and compatible with ROS and operates using the PlayStation 3 controller. In addition, an open source software (IDE) Arduino board will be integrated into the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module, digital clock that will run off 22 satellites to show accurate real time using a GPS signal and an internal patch antenna to communicate with satellites. In addition, this internship experience has led me to pursue myself to learn coding more efficiently and effectively to write, subscribe and publish my own source code in different programming languages. With some familiarity with software programming, it will enhance my skills in the electrical engineering field. In contrast, my experience here at JSC with the Simulation and Graphics Branch (ER7) has led me to take my coding skill to be more proficient to increase my knowledge in software programming, and also enhancing my skills in ROS. This knowledge will be taken back to my university to implement coding in a school project that will use source coding and ROS to work on the PR2 robot which is controlled by ROS software. My skills learned here will be used to integrate messages to subscribe and publish ROS messages to a PR2 robot. The PR2 robot will be controlled by an existing PS3 controller by changing C++ coding to subscribe and publish messages to ROS. Overall the skills that were obtained here will not be lost, but increased.

Davis, Kirsch↗
DOE OSTI2022

Ancestral archaea expanded the genetic code with pyrrolysine

The pyrrolysyl-tRNA synthetase (PylRS) facilitates the cotranslational installation of the 22nd amino acid pyrrolysine. Owing to its tolerance for diverse amino acid substrates, and its orthogonality in multiple organisms, PylRS has emerged as a major route to install noncanonical amino acids into proteins in living cells. Recently, a novel class of PylRS enzymes was identified in a subset of methanogenic archaea. Enzymes within this class (ΔPylSn) lack the N-terminal tRNA-binding domain that is widely conserved amongst PylRS enzymes, yet remain active and orthogonal in bacteria and eukaryotes. In this study, we use biochemical and in vivo UAG-readthrough assays to characterize the aminoacylation efficiency and substrate spectrum of a ΔPylSn class PylRS from the archaeon Candidatus Methanomethylophilus alvus. We show that, compared with the full-length enzyme from Methanosarcina mazei, the Ca. M. alvus PylRS displays reduced aminoacylation efficiency but an expanded amino acid substrate spectrum. To gain insight into the evolution of ΔPylSn enzymes, we performed molecular phylogeny using 156 PylRS and 105 pyrrolysine tRNA (tRNA Pyl ) sequences from diverse archaea and bacteria. This analysis suggests that the PylRS•tRNA Pyl pair diverged before the evolution of the three domains of life, placing an early limit on the evolution of the Pyl-decoding trait. Furthermore, our results document the coevolutionary history of PylRS and tRNA Pyl and reveal the emergence of tRNA Pyl sequences with unique A73 and U73 discriminator bases. The orthogonality of these tRNA Pyl species with the more common G73-containing tRNA Pyl will enable future efforts to engineer PylRS systems for further genetic code expansion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

In-situ probing of the Fischer-Tropsch reaction on Co single crystal surfaces up to 1 bar

The surface chemistry of the Fischer-Tropsch catalytic reaction over Co has still several unknows. Here, we report an in-situ X-ray photoelectron spectroscopy study of Co$(0001)$ and Co$(10\bar{1}4)$, and in-situ high energy surface X-ray diffraction of Co$(0001)$ during the Fischer-Tropsch reaction at 0.15 bar - 1 bar and 406 K - 548 K in a H 2 /CO gas mixture. We find that these Co surfaces remain metallic under all conditions and that the coverage of chemisorbed species ranges from 0.4–1.7 monolayers depending on pressure and temperature. The adsorbates include CO on-top, C/-C x H y and various longer hydrocarbon molecules, indicating a rate-limiting direct CO dissociation pathway and that only hydrocarbon species participate in the chain growth. The accumulation of hydrocarbon species points to the termination step being rate-limiting also. Furthermore, we demonstrate that the intermediate surface species are highly dynamic, appearing and disappearing with time delays after rapid changes in the reactants’ composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Complex Dynamics of Air Traffic Flow

Air traffic in the United States has continued to grow at a steady pace since 1980, except for a dip immediately after the tragic events of September 11, 2001. There are different growth scenarios associated both with the magnitude and the composition of the future air traffic. The Terminal Area Forecast (TAF), prepared every year by the FAA, projects the growth of traffic in the United States. Both Boeing and Airbus publish market outlooks for air travel annually. Although predicting the future growth of traffic is difficult, there are two significant trends: heavily congested major airports continue to see an increase in traffic, and the emergence of regional jets and other smaller aircraft with fewer passengers operating directly between non-major airports. The interaction between air traffic demand and the ability of the system to provide the necessary airport and airspace resources can be modeled as a network. The size of the resulting network varies depending on the choice of its nodes. It would be useful to understand the properties of this network to guide future design and development. Many questions, such as the growth of delay with increasing traffic demand and impact of the en route weather on future air traffic, require a systematic understanding of the properties of the air traffic network. There has been a major advance in the understanding of the behavior of networks with a large number of components. Several theories have been advanced about the evolution of large biological and engineering networks by authors in diversified disciplines like physics, mathematics, biology and computer science. Several networks exhibit a scale-free property in the sense that the probabilistic distribution of their nodes as a function of connections decreases slower than an exponential. These networks are characterized by the fact that a small number of components have a disproportionate influence on the performance of the network. Scale-free networks are tolerant to random failure of components, but are vulnerable to selective attack on components. This paper examines two network representations for the baseline air traffic system. A network defined with the 40 major airports as nodes and with standard flight routes as links has a characteristic scale: all nodes have 60 or more links and no node has more than 460 links. Another network is defined with baseline aircraft routing structure exhibits an exponentially truncated scale-free behavior. Its degree ranges from 2 connections to 2900 connections, and 225 nodes have more than 250 connections. Furthermore, those high-degree nodes are homogeneously distributed in the airspace. A consequence of this scale-free behavior is that the random loss of a single node has little impact, but the loss of multiple high-degree nodes (such as occurs during major storms in busy airspace) can adversely impact the system. Two future scenarios of air traffic growth are used to predict the growth of air traffic in the United States. It is shown that a three-times growth in the overall traffic may result in a ten-times impact on the density of traffic in certain parts of the United States.

Scale-free Networks↗
DOE OSTI2022

Design of a gas-solid-solid separator to remove ash from circulating fluidized bed reactors

Cyclones are one of the most common types of gas-solid separators used in circulating fluidized bed boilers. However, cyclones typically do not allow ash to leave the system through the cyclone exit, causing ash to build up in the fluidized bed and necessitating additional systems to remove ash that builds up in the bed. In this study, an alternative “disengager” gas-solid separator is proposed as a way of inherently separating small and large solids, resulting in a gas-solid-solid separation system where ash is allowed to leave the system along with gas while the desired fluidized bed material is retained. Unlike cyclones, which rely on centrifugal force to separate solids and gas, the disengager separates based on entrainment velocity of the particles. Upwards-flowing gas and particles strike a deflection plate and enter the disengaging chamber where particles with low terminal velocity such as ash fines flow with the gas, while larger particles such as sand fall to the bottom of the separator and are returned to the fluidized bed. In this study, several different proposed disengager configurations are simulated and compared to a typical cyclone using computational fluid dynamic (CFD) simulations. Furthermore, it was found that separation efficiency in the disengager is strongly influenced by the size of the deflection plate, rather than by the size of the unit itself. The predicted separation efficiency showed that compared to a cyclone, the disengager design allows significantly more ash to exit the system but retains a similar amount of desirable material. Additionally, the disengager was predicted to not suffer significantly more erosion that a cyclone.

42 ENGINEERING↗
DOE OSTI2025

Fabrication and characterization of boron-terminated tetravacancies in monolayer hBN using STEM, EELS and electron ptychography

Tetravacancies in monolayer hexagonal boron nitride (hBN) with consistent edge termination (boron or nitrogen) form triangular nanopores with electrostatic potentials that can be leveraged for applications such as selective ion transport and neuromorphic computing. In order to quantitatively predict the properties of these structures, an atomic-level understanding of their local electronic and chemical environments is required. Moreover, robust methods for their precision manufacture are needed. Here we use electron irradiation in a scanning transmission electron microscope (STEM) at a high dose rate to drive the formation of boron-terminated tetravacancies in monolayer hBN. Characterization of the defects is achieved using aberration-corrected STEM, monochromated electron energy-loss spectroscopy (EELS), and electron ptychography. Z-contrast in STEM and chemical fingerprinting by core-loss EELS enable identification of the edge terminations, while electron ptychography gives insight into structural relaxation of the tetravacancies and provides evidence of enhanced electron density around the defect perimeters indicative of bonding effects.

2D hBN↗
DOE OSTI2022

A general strategy and a consolidated mechanism for low-methane hydrogenolysis of polyethylene over ruthenium

Polyethylene (PE) is one of the most environment-threatening plastic waste. Its Ru-catalyzed hydrogenolysis is rapid but produces too much methane. Here, in this study, low-density PE hydrogenolysis is performed at mild conditions and short times over Ru-doped zirconia catalysts (Ru-XZr, X = Ti, Nb, Ce, W, V, Mo, Fe) to determine low-methane catalysts. Methane is produced via direct terminal C-C scission and surface cascade of consecutive C-C scissions, with the latter sensitive to hydrogen availability and dominant in hydrogen-lean conditions. Reactivity studies, characterization and theory reveal that the most effective dopant oxides (W, V, and Mo) are intermediately reducible, as they store and supply extra hydrogen to Ru via reverse hydrogen spillover. This hydrogen readily hydrogenates and desorbs long alkyl surface intermediates that would otherwise produce cascade methane. Our proposed mechanism reconciles the low methane production achieved by increasing the hydrogen pressure or reducing the particle size and exposes the key selectivity descriptors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Effect of the ..beta..-Hydroxy Group on Ester Reactivity: Combustion Kinetics of Methyl Hexanoate and Methyl 3-Hydroxyhexanoate

One of the major biofuels used today is biodiesel, composed of fatty acid methyl esters. The fats and oils feedstocks used to make biodiesel are in relatively short supply. To meet increasing global demand, engineered microorganisms have been developed to catalyze conversion of sugar to fatty acid esters that contain unique ..beta..-hydroxy-esters. This study investigated the effect of a hydroxyl group on the combustion characteristics of methyl esters by comparing the chemical behavior of methyl hexanoate (MHx) and methyl 3-hydroxyhexanoate (M3OHHx) - used as surrogates for diesel-boiling-range esters with longer fatty acid chains. The oxidation of these esters was studied experimentally in a flow reactor at 0.84 and 10 bar, 600 to 1,100 K, and stoichiometric conditions; and in a constant volume combustion chamber at 5 and 10 bar, 600 to 900 K, and equivalence ratios of 0.3 and 0.6. MHx was more reactive in the constant volume chamber at temperatures below 800 K at 10 bar and equivalence ratio of 0.6. MHx also exhibited a higher indicated cetane number (16.4) than M3OHHx (8.1). We investigated this reactivity trend using an updated MHx kinetic model and M3OHHx model developed as part of this work. The kinetic models predicted that radicals formed from MHx were consumed by low-temperature chemistry reactions, whereas the M3OHHx reactivity was significantly governed by the ..beta..-radical (on the same carbon as the OH group) chemistry which mainly terminated via the less reactive chain propagation pathway to methyl-3-oxohexanoate + HO2. This study extends our understanding of structural effects on ester reactivity, which will allow for accurate surrogate formulation and performance simulations.

AFIDA↗
NASA NTRS2004

Glenn Heat Transfer Simulation and Solver Graphical User Interface: Development and Testing

In the Tui ine Branch of the Turbomachinery and Propulsion Systems Division, researching and developing efficient turbine aerothermodynamics technologies is the main objective. Creating effective turbines for jet engines is a process which, if based purely on physical experimental testing, would be extremely expensive. It is for this reason, and also for the reasons of speed and ease, that the Turbine Branch spends a large amount of effort working with simulations of turbines. Specifically, they focus their work on two main fields: Computational Field Dynamics (CFD), and Experimental data analysis. The experimental field involves comparing experimental results to simulated results, whereas the CFD field involves running these simulations. The simulations are applied to aerodynamics and heat transfer cases, for both steady and unsteady flow conditions. By and large this work is applied to the domain of flow and heat transfer in axial turbines. The main application used to run these heat flow simulations is GlennHT. This program, recently rewritten in FORTRAN 90, allows the user to input a job file which specifies all the necessary parameters needed to simulate flow through a user-defined grid. There are several other executables used as well, ranging in application from converting grid files to and from particular formats, to merging blocks in a connectivity file, to converting connectivity files to a GlennHT compatible format. All of these executables are run from the command line in a terminal; some of them have interactive prompts where the user must specify the files to be manipulated after the program starts, while others take all of their parameters from the command line. With this amount of variation comes a good deal of commands and formats to memorize, which can cause slower and less efficient work, as users may forget how to execute a certain program, or not remember the pathnames of the files they wish to use. Two years ago, steps were made to expedite this process with a graphical user interface (GUI) that combines the functionality of all the executables along with adding some new functionality, such as residuals graphing and boundary conditions creation. Upon my beginning here at Glenn, many parts of the GUI, which was developed in Java, were nonfunctional. There were also issues with cross-platforming, as systems in the branch were transitioning from Silicon Graphics (SGI) machines to Linux machines. My goals this summer are to finish the parts of the GUI that are not yet completed, fix parts that did not work correctly, expand the functionality to include other useful features, such as grid surface highlighting, and make the system compatible with both Linux and SGI. I will also be heavily testing the system and providing sufficient documentation on how to use the GUI, as no such documentation existed previously.

Kardamis, Joseph R.↗