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DOE OSTI2023

Isomeric effects on the reactivity of branched alkenes: An experimental and kinetic modeling study of methylbutenes

Here, a detailed experimental study of the low-to-intermediate temperature combustion of methylbutene isomers, i.e., branched C 5 alkenes, has been undertaken with multiple experimental facilities. Ignition delay times were measured at equivalence ratios 0.5–2.0, 685–1020 K and up to 45 bar condition from two rapid compression machines and showed slight deviation from an Arrhenius behavior for all three isomers, while their reactivity order differs as temperature changes. Sampled intermediates formed during the oxidation process of mixtures at 900–1150 K and 0.82 bar from a flow reactor and at 730 K and 20 bar from a rapid compression machine were analyzed using gas chromatography techniques. Trends in the formation and consumption of sampled intermediates were modeled using a kinetic model developed in this work for all three isomers. Rate of production and sensitivity analyses emphasize the role of double bond-specific reactions governing the global reactivity of these fuels. Additional studies of the addition reactions of HO 2 radicals to the double bond and to allylic radicals may improve the model performance.

2-Methyl-1-butene↗

NASA NTRS2019

An Analytic Model for Estimating the First Contact Resistance Needed to Avoid Damaging ESD During Spacecraft Docking in GEO

NASA’s Gateway program will involve spacecraft (s/c) docking in the outer radiation belt in order to transfer Gateway elements between s/c for transport to lunar orbit. The charging of these s/c to different potentials prior to docking raises the possibility of a damaging electrostatic discharge (ESD) at the time of first contact between the s/c. A proposed mitigation strategy is for first contact to occur prior to docking through a resistor with resistance R that would lower the potential difference at an optimal rate to a sufficiently low value to prevent ESD damage. The coupling of s/c by a resistor can be modeled by SPIS, but for realistic two s/c models SPIS can take hours to simulate the evolution of the s/c surface charges and potentials to an equilibrium state. Our objective is to develop a simpler model of s/c resistive coupling that runs orders of magnitude faster while providing useful first design estimates of the time variation of the s/c potentials, current through the resistor, and how these vary with R and s/c configuration This configuration is defined by the relative separation and orientation of the s/c, and their solar illumination. The configuration and geometry of the s/c determine their capacitive coupling. The s/c capacitances are computed using Nascap-2K. This poster presents the first version of such a model, and initial tests.

Goodman, Michael L.↗

NASA NTRS1994

Excitation of solar p-modes

We investigate the rates at which energy is supplied to individual p-modes as a function of their frequencies nu and angular degrees l. The observationally determined rates are compared with those calculated on the hypothesis that the modes are stochastically excited by turbulent convection. The observationally determined excitation rate is assumed to be equal to the product of the mode's energy E and its (radian) line width Gamma. We obtain E from the mode's mean square surface velocity with the aid of its velocity eigenfuction. We assume that Gamma measures the mode's energy decay rate, even though quasi-elastic scattering may dominate true absorption. At fixed l, E(Gamma) arises as nu(exp 7) at low nu, reaches a peak at nu approximately equal 3.5 mHz, and then declines as nu(exp 4.4) at higher nu . At fixed nu, E(Gamma) exhibits a slow decline with increasing l. To calculate energy input rates, P(sub alpha), we rely on the mixing-length model of turbulent convection. We find entropy fluctuations to be about an order of magnitude more effective than the Reynolds stress in exciting p-modes . The calculated P(sub alpha) mimic the nu(exp 7) dependence of E(Gamma) at low nu and the nu(exp -4.4) dependence at high nu. The break of 11.4 powers in the nu-dependence of E(Gamma) across its peak is attributed to a combination of (1) the reflection of high-frequency acoustic waves just below the photosphere where the scale height drops precipitously and (2) the absence of energy-bearing eddies with short enough correlation times to excite high-frequency modes. Two parameters associated with the eddy correlation time are required to match the location and shape of the break. The appropriate values of these parameters, while not unnatural, are poorly constrained by theory. The calculated P(sub alpha) can also be made to fit the magnitude of E(Gamma) with a reasonable value for the eddy aspect ratio. Our resutls suggest a possible explanation for the decline of mode energy with increasing l at fixed nu. Entropy fluctuations couple to changes in volume associated with the oscillation mode. These decrease with decreasing n at fixed nu, becoming almost zero for the f-mode.

Goldreich, Peter↗

NASA NTRS1994

Galileo spacecraft modeling for orbital operations

The Galileo Jupiter orbital mission using the Low Gain Antenna (LGA) requires a higher degree of spacecraft state knowledge than was originally anticipated. Key elements of the revised design include onboard buffering of science and engineering data and extensive processing of data prior to downlink. In order to prevent loss of data resulting from overflow of the buffers and to allow efficient use of the spacecraft resources, ground based models of the spacecraft processes will be implemented. These models will be integral tools in the development of satellite encounter sequences and the cruise/playback sequences where recorded data is retrieved.

Mclaughlin, Bruce A.↗

NASA NTRS1994

Galileo Spacecraft Modeling for Orbital Operations

aerospace↗

DOE OSTI2024

Optical analysis of III-nitride micro-light-emitting diodes with different sidewall treatments at low current density operation

Here, in this work, the optical efficiency of III-nitride blue micro-LEDs (μLEDs) ranged from 5 × 5 to 60 × 60 μm 2 with different sidewall treatments at low current density range was investigated. The results showed dielectric sidewall passivation using atomic layer deposition (ALD) has superior optical enhancement compared to conventional RF sputtering, where most of the enhancement occurred at low current density range. Additionally, the use of ALD sidewall passivation and chemical treatment offered significant efficiency improvement for different sizes of μLEDs at operating less than 1 A cm −2 and the devices without sidewall treatments did not emit light. The effect of sidewall treatments to the effective Shockley–Read–Hall (SRH) nonradiative recombination coefficient, or the effective A coefficient from the ABC model, was estimated. The effective SRH nonradiative recombination coefficient was suppressed by two orders of magnitude for devices with sidewall treatments compared to devices without sidewall passivation.

Wong, Matthew S.↗

DOE OSTI2020

Online adaptive basis refinement and compression for reduced-order models via vector-space sieving

In many applications, projection-based reduced-order models (ROMs) have demonstrated the ability to provide rapid approximate solutions to high-fidelity full-order models (FOMs). However, there is no a priori assurance that these approximate solutions are accurate; their accuracy depends on the ability of the low-dimensional trial basis to represent the FOM solution. As a result, ROMs can generate inaccurate approximate solutions, e.g., when the FOM solution at the online prediction point is not well represented by training data used to construct the trial basis. To address this fundamental deficiency of standard model-reduction approaches, this work proposes a novel online-adaptive mechanism for efficiently enriching the trial basis in a manner that ensures convergence of the ROM to the FOM, yet does not incur any FOM solves. The mechanism is based on the previously proposed adaptive $h$-refinement method for ROMs, but improves upon this work in two crucial ways. First, the proposed method enables basis refinement with respect to any orthogonal basis (not just the Kronecker basis), thereby generalizing the refinement mechanism and enabling it to be tailored to the physics characterizing the problem at hand. Second, the proposed method provides a fast online algorithm for periodically compressing the enriched basis via an efficient proper orthogonal decomposition (POD) method, which does not incur any operations that scale with the FOM dimension. We report these two features allow the proposed method to serve as (1) a failsafe mechanism for ROMs, as the method enables the ROM to satisfy any prescribed error tolerance online (even in the case of inadequate training), and (2) an efficient online basis-adaptation mechanism, as the combination of basis enrichment and compression enables the basis to adapt online while controlling its dimension.

42 ENGINEERING↗

DOE OSTI2026

High-Throughput Uniformity and Defect Monitoring in Low-Temperature Electrolysis Porous Transport Layers Using X-Ray Radiography

Effective quality control (QC) for manufacturing proton exchange membrane water electrolysis (PEMWE) components is critical to enabling widespread adoption of the technology for hydrogen generation. This study investigates X-ray radiography as a novel, high-throughput, potentially in-line QC technique for detecting defects and assessing material property distributions in titanium-based porous transport layers (PTLs) which constitute a crucial component of low temperature PEMWE stacks. We obtain radiographs of a set of fifteen PTLs and model their absorbance of the broadband radiation as a second-order polynomial to account for the non-monoenergetic radiation source used in this study. The resulting model serves as a basis for predicting the areal density and porosity distributions of the PTLs. We find radiography successful in detecting multiple instances of defects, including holes/depressions, cracks, and excess material on the surface or in the pores of the material, demonstrating its potential as a robust in-line QC tool for PTL manufacturing.

08 HYDROGEN↗

DOE OSTI2023

Probing High-Temperature Amine Chemistry: Is the Reaction NH 3 + NH 2 ⇌ N 2 H 3 + H 2 Important?

The reaction NH 3 + NH 2 ⇌ N 2 H 3 + H 2 (R1) has been identified as a key step to explain experimental results for pyrolysis and oxidation of ammonia. However, no direct experimental or theoretical evidence for the reaction has been reported. In the present work, the reaction was studied by ab initio theory and by reinterpretation of experimental data. We could not locate a transition state for R1 occurring as a direct process, but alternative mechanisms yielded an upper bound to k 1 of 1.5 × 10 13 exp(–58.9 kcal mol –1 /RT) cm 3 mol –1 s –1 over 1000–2500 K, several orders of magnitude lower than values applied in modeling. Consistent with the theoretical work, re-evaluation of NH 3 pyrolysis data supported a very low value of k 1 . However, this finding opens up a novel unresolved issue. Current kinetic models cannot capture the NH 3 oxidation behavior in a number of laminar flow reactor and jet-stirred reactor experiments without adopting an improbably high value for k 1 . Furthermore, important oxidation steps might be underestimated or missing from mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Dipolar and quadrupolar correlations in the 5⁢𝑑 2 Re-based double perovskites Ba 2 ⁢ YReO 6 and Ba 2 ⁢ ScReO 6

Double perovskites containing heavy transition-metal ions are an important family of compounds for the study of the interplay between electron correlation and spin-orbit coupling. Here, by combining magnetic susceptibility, heat capacity, and neutron scattering measurements, we investigate the dipolar and quadrupolar correlations in two prototypal rhenium-based double perovskite compounds Ba 2 ⁢YReO 6 and Ba 2 ⁢ ScReO 6 . A type-I dipolar antiferromagnetic ground state with a propagation vector 𝐪 = (0,0,1) is observed in both compounds. At temperatures above the magnetic transitions, a quadrupolar ordered phase is identified. Weak spin excitations, which are gapped at low temperatures and softened in the correlated paramagnetic phase, are explained using a minimal model that considers both the dipolar and quadrupolar interactions. In conclusion, at larger wave vectors, we observe dominant phonon excitations that are well described by density functional calculations.

Omar, Otkur [University of Science and Technology ↗

DOE OSTI2020

Integrated Dynamic Facade Control with an Agent-based Architecture for Commercial Buildings

Dynamic façades have significant technical potential to minimize heating, cooling, and lighting energy use and peak electric demand in the perimeter zone of commercial buildings, but the performance of these systems is reliant on being able to balance complex trade-offs between solar control, daylight admission, comfort, and view over the life of the installation. As the context for controllable energy-efficiency technologies grows more complex with the increased use of intermittent renewable energy resources on the grid, it has become increasingly important to look ahead towards more advanced approaches to integrated systems control in order to achieve optimum life-cycle performance at a lower cost. This study examines the feasibility of a model predictive control system for low-cost autonomous dynamic façades. A system architecture designed around lightweight, simple agents is proposed. The architecture accommodates whole building and grid level demands through its modular, hierarchical approach. Automatically-generated models for computing window heat gains, daylight illuminance, and discomfort glare are described. The open source Modelica and JModelica software tools were used to determine the optimum state of control given inputs of window heat gains and lighting loads for a 24-hour optimization horizon. Penalty functions for glare and view/ daylight quality were implemented as constraints. The control system was tested on a low-power controller (1.4 GHz single core with 2 GB of RAM) to evaluate feasibility. The target platform is a low-cost ($35/unit) embedded controller with 1.2 GHz dual-core cpu and 1 GB of RAM. Configuration and commissioning of the curtainwall unit was designed to be largely plug and play with minimal inputs required by the manufacturer through a web-based user interface. An example application was used to demonstrate optimal control of a three-zone electrochromic window for a south-facing zone. The overall approach was deemed to be promising. Further engineering is required to enable scalable, turnkey solutions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1955

Longitudinal Stability and Control Characteristics as Determined by the Rocket-Model Technique for an Inline, Cruciform, Canard Missile Configuration with a Low-Aspect-Ratio Wing Having Trailing-Edge Flap Controls for a Mach Number Range of 0.7 to 1.8

Two full-scale models of an inline, cruciform, canard missile configuration having a low-aspect-ratio wing equipped with flap-type controls were flight tested in order to determine the missile's longitudinal aerodynamic characteristics. Stability derivatives and control and drag characteristics are presented for a range of Mach number from 0.7 to 1.8. Nonlinear lift and moment curves were noted for the angle-of-attack range of this test (0 deg to 8 deg ). The aerodynamic-center location for angles of attack near 5 deg remained nearly constant for supersonic speeds at 13.5 percent of the mean aerodynamic chord; whereas for angles of attack near O deg, there was a rapid forward movement of the aerodynamic center as the Mach number increased. At a control deflection of O deg, the missile's response to the longitudinal control was in an essentially fixed space plane which was not coincident with the pitch plane as a result of the missile rolling. As a consequence, stability characteristics were determined from the resultant of pitch and yaw motions. The damping-in-pitch derivatives for the two angle-of-attack ranges of the test are in close agreement and varied only slightly with Mach number. The horn-balanced trailing-edge flap was effective in producing angle of attack over the Mach number range.

Baber, H. T., Jr.↗

NASA NTRS1981

Optical Fiber Illumination System for visual flight simulation

An electronically controlled lighting system simulating runway, aircraft carrier, and landing aid lights for flight simulations is described. The various colored lights that would be visible to a pilot by day, at dusk, or at night are duplicated at the distances the lights would normally become visible. Plastic optical fiber illuminators using tungsten halogen lights are distributed behind the model. The tips of the fibers of illuminators simulating runway lights are bevelled in order that they may be seen from long distances and at low angles. Fibers representing taxiway lights are pointed and polished for omni-directional visibility. The electronic intensity controls, which can be operated either manually or remotely, regulate the intensity of the lights to simulate changes in distance. A dichronic mirror, infrared filter system is used to maintain color integrity.

Hollow, R. H.↗

NASA NTRS1981

Subtleties in the flat-fielding of charge-coupled device /CCD/ images

Astronomical photometry with CCDs will often involve relatively low signal levels (less than 1000 charge carriers per pixel), at which nonlinear effects sometimes become significant. These effects will probably play a role in the processing of Space Telescope data. The problem apparently arises because signal charges are not read out equally completely from all columns and all pixels. It is shown that, although a first-order correction can be made by subtracting a low-level flat field from all frames before conventional processing, higher accuracy can be achieved by modeling the response with a nonlinear function.

Baum, W. A.↗

NASA NTRS1987

On the connection between mare basalts and picritic volcanic glasses

The liquid lines of descent were calculated for low-pressure equilibrium and fractional crystallization of mare basaltic liquids in order to examine the postulated link between picritic volcanic glasses and mare basalts. The models of Longhi (1977, 1982) were modified by including expressions for the armalcolite/ilmenite surface boundary and the Cr-spinel liquidus surface, average molar partition coefficients for armalcolite/liquid pairs, and new experimental data of Longhi and Pan (1987). The results indicate that, with two exceptions, mare basalts and picritic volcanic glasses are not related by simple, linear-surface crystallization processes. However, the compositions of Luna 24 ferrobasalt and Apollo 11 high-K basalts could be closely matched with the lines of liquid descent of certain green and orange picritic glasses, respectively. The calculations also show that the picritic magmas would have fractionated to produce basalts with bulk and mineral compositions similar to those of mare basalts, supporting the hypothesis that mare basalts have fractionated compositions and that the small number of observed linkages between basalts and picritic parents is a consequence of limited sampling.

Longhi, John↗

NASA NTRS1990

Noise power spectral density of the Sundstrand QA-2000 accelerometer

There are no good data on low frequency (less than 0.1 Hz) power spectral density (PSD) for the Q-Flex accelerometer. However, some preliminary stability measurements were made over periods of 12 to 24 hours and demonstrated stability less than 0.5 micro-g over greater than 12 hours. The test data appear to contain significant contributions from temperature variations at that level, so the true sensor contribution may be less than that. If what was seen could be construed as a true random process, it would correspond to about 0.1 micro-g rms over a bandwidth from 10(exp -5) Hz to about 1 Hz. Other studies of low frequency PSD in flexure accelerometers have indicated that material aging effects tend to approximate a first order Markhov process. If we combine such a model with the spectrum obtained at higher frequencies, it suggests the spectrum shown here as a conservative estimate of Q-Flex noise performance.

Peters, Rex↗

NASA NTRS1993

On eigensystem assignment with dissipativity constraints

Stability of the closed-loop system is of vital importance when controller synthesis is being performed using a reduced order model of the open-loop plant. For passive systems such as flexible space structures, closed-loop stability is often ensured by low-authority dissipative controllers using collocated and compatible sensors and actuators. This paper considers the problem of eigensystem assignment for flexible structures using constant-gain output feedback, under the dissipativity constraints requiring that the gain matrices be nonnegative definite. A novel method is developed in which a sequential procedure is used to assign one complex-conjugate pair of closed-loop eigenvalues in each step. At each step, an iterative technique is employed for generating a nonnegative definite gain matrix that assigns a new pair while keeping the previously assigned pairs unchanged. This method can assign up to m closed-loop system eigenvalues, where m is the number of control inputs. A numerical example of damping enhancement for a large flexible structure is presented to demonstrate the approach.

Maghami, Peiman G.↗

NASA NTRS1955

Longitudinal Stability and Control Characteristics as Determined by the Rocket-model Technique for an Inline, Cruciform, Canard Missile Configuration with a Low-aspect-ratio Wing Having Trailing-edge Flap Controls for a Mach Number Range of 0.7 to 1.

Two full-scale models of an inline, cruciform, canard missile configuration having a low-aspect-ratio wing equipped with flap-type controls were flight tested in order to determine the missile's longitudinal aerodynamic characteristics. Stability derivatives and control and drag characteristics are presented for a range of Mach number from 0.7 to 1.8. Nonlinear lift and moment curves were noted for the angle - of-attack range of this test (0 deg to 8 deg). The aerodynamic-center location for angles of attack near 50 remained nearly constant for supersonic speeds at 13.5 percent of the mean aerodynamic chord; whereas for angles of attack near 0 deg, there was a rapid forward movement of the aerodynamic center as the Mach number increased. At a control deflection of 0 deg, the missile's response to the longitudinal control was in an essentially fixed space plane which was not coincident with the pitch plane as a result of the missile rolling. As a consequence, stability characteristics were determined from the resultant of pitch and yaw motions. The damping-in-pitch derivatives for the two angle -of-attack ranges of the test are in close agreement and varied only slightly with Mach number. The horn-balanced trailing-edge flap was effective in producing angle of attack over the Mach number range.

Baber, Hal T , Jr↗