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All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Autonomously Calibrating a Quadrupole Mass Spectrometer

A computer program autonomously manages the calibration of a quadrupole ion mass spectrometer intended for use in monitoring concentrations and changes in concentrations of organic chemicals in the cabin air of the International Space Station. The instrument parameters calibrated include the voltage on a channel electron multiplier, a discriminator threshold, and an ionizer current. Calibration is achieved by analyzing the mass spectrum obtained while sweeping the parameter ranges in a heuristic procedure, developed by mass spectrometer experts, that involves detection of changes in signal trends that humans can easily recognize but cannot necessarily be straightforwardly codified in an algorithm. The procedure includes calculation of signal-to-noise ratios, signal-increase rates, and background-noise-increase rates; finding signal peaks; and identifying peak patterns. The software provides for several recovery-from-error scenarios and error-handling schemes. The software detects trace amounts of contaminant gases in the mass spectrometer and notifies associated command- and-data-handling software to schedule a cleaning. Furthermore, the software autonomously analyzes the mass spectrum to determine whether the parameters of a radio-frequency ramp waveform are set properly so that the peaks of the mass spectrum are at expected locations.

Lee, Seungwon↗
DOE OSTI2023

Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory

Despite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack grid, there has been no comprehensive and rigorous analysis of the finite-size error in the Hartree-Fock theory (HF) and the second order Møller-Plesset perturbation theory (MP2), which are the simplest wavefunction based method, and the simplest post-Hartree-Fock method, respectively. Such calculations can be viewed as a multi-dimensional integral discretized with certain trapezoidal rules. Due to the Coulomb singularity, the integrand has many points of discontinuity in general, and standard error analysis based on the Euler-Maclaurin formula gives overly pessimistic results. The lack of analytic understanding of finite-size errors also impedes the development of effective finite-size correction schemes. We propose a unified analysis to obtain sharp convergence rates of finite-size errors for the periodic HF and MP2 theories. Our main technical advancement is a generalization of the result of Lyness [Math. Comp. 30 (1976), pp. 1–23] for obtaining sharp convergence rates of the trapezoidal rule for a class of non-smooth integrands. Our result is applicable to three-dimensional bulk systems as well as low dimensional systems (such as nanowires and 2D materials). Our unified analysis also allows us to prove the effectiveness of the Madelung-constant correction to the Fock exchange energy, and the effectiveness of a recently proposed staggered mesh method for periodic MP2 calculations (see X. Xing, X. Li, and L. Lin [J. Chem. Theory Comput. 17 (2021), pp. 4733–4745]). In conclusion, our analysis connects the effectiveness of the staggered mesh method with integrands with removable singularities, and suggests a new staggered mesh method for reducing finite-size errors of periodic HF calculations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Spin glasses and error-correcting codes

In this article, we study a model for error-correcting codes that comes from spin glass theory and leads to both new codes and a new decoding technique. Using the theory of spin glasses, it has been proven that a simple construction yields a family of binary codes whose performance asymptotically approaches the Shannon bound for the Gaussian channel. The limit is approached as the number of information bits per codeword approaches infinity while the rate of the code approaches zero. Thus, the codes rapidly become impractical. We present simulation results that show the performance of a few manageable examples of these codes. In the correspondence that exists between spin glasses and error-correcting codes, the concept of a thermal average leads to a method of decoding that differs from the standard method of finding the most likely information sequence for a given received codeword. Whereas the standard method corresponds to calculating the thermal average at temperature zero, calculating the thermal average at a certain optimum temperature results instead in the sequence of most likely information bits. Since linear block codes and convolutional codes can be viewed as examples of spin glasses, this new decoding method can be used to decode these codes in a way that minimizes the bit error rate instead of the codeword error rate. We present simulation results that show a small improvement in bit error rate by using the thermal average technique.

Belongie, M. L.↗
DOE OSTI2025

Effective Li-Ion Transport Quantification in Composite Cathodes for All-Solid-State Batteries via Multiscale Modeling and Experiments

The tortuosity factor of composite cathodes significantly affects the rate performance of all-solid-state batteries (ASSBs) and has significant differences from systems with liquid electrolytes. Here, in this work, we report a simulation-experiment combined approach that quantifies the effective Li-ion transport in an ASSB composite cathode, which links tortuosity factor on ∼ μm scale to terminal voltage during cycling at the cell level (on ∼ cm scale). Two independent approaches of tortuosity factor quantification are considered: fitting electrochemical cycling data and verifying at different cycling rates and calculating from segmented tomography images, with the tortuosity factor quantified from both methods reaching self-consistency. The simulated terminal voltage using the quantified tortuosity factor has a small relative error of <3% compared to the experimental measurements. We find a significantly reduced value of the Bruggeman exponent of the catholyte phase (1.75), and using shape analysis, we show that rod-shaped catholyte particles play an important role in lowering the tortuosity factor.

Yao, Archie Mingze [Univ. of Michigan, Ann Arbor, ↗
NASA NTRS1998

ADEOS Total Ozone Mapping Spectrometer (TOMS) Data Products User's Guide

Two data products from the Total Ozone Mapping Spectrometer (ADEOS/TOMS) have been archived at the Distributed Active Archive Center, in the form of Hierarchical Data Format files. The ADEOS/ TOMS began taking measurements on September 11, 1996, and ended on June 29, 1997. The instrument measured backscattered Earth radiance and incoming solar irradiance; their ratio was used in ozone retrievals. Changes in the reflectivity of the solar diffuser used for the irradiance measurement were monitored using a carousel of three diffusers, each exposed to the degrading effects of solar irradiation at different rates. The algorithm to retrieve total column ozone compares measured Earth radiances at sets of three wavelengths with radiances calculated for different total ozone values, solar zenith angles, and optical paths. The initial error in the absolute scale for TOMS total ozone is 3 percent, the one standard deviation random error is 2 percent, and the drift is less than 0.5 percent over the 9-month data record. The Level 2 product contains the measured radiances, the derived total ozone amount, and reflectivity information for each scan position. The Level 3 product contains daily total ozone and reflectivity in a 1-degree latitude by 1.25 degrees longitude grid. The Level 3 files containing estimates of UVB at the Earth surface and tropospheric aerosol information will also be available. Detailed descriptions of both HDF data files and the CDROM product are provided.

Krueger, A.↗
NASA NTRS2006

General Solution for Theoretical Packet Data Loss Rate

Communications systems which transfer blocks ("frames") of data must use a marker ("frame synchronization pattern") for identifying where a block begins. A technique ("frame synchronization strategy") is used to locate the start of each frame and maintain synchronization as additional blocks are processed. A device which strips out the frame synchronization pattern [FSP] and provides an "end of frame" pulse is called a frame synchronizer. As clock and data errors are introduced into the system, the start-of-block marker becomes displaced and/or corrupted. The capability of the frame synchronizer to stay locked to the pattern under these conditions is a figure of merit for the frame synchronization strategy. It is important to select a strategy which will stay locked nearly all the time at bit error rates where the data is usable. ("Bit error rate" [BER] is the fraction of binary bits which are inverted by passage through a communication system.) The fraction of frames that are discarded because the frame synchronizer is not locked is called "Percent Data Loss" or "Packet Data Loss rate" [PDL]. A general approach for accurately predicting PDL given BER was developed in Theoretical Percent Data Loss Calculation and Measurement Accuracy, T. P. Kelly, LESC-30554, December 1992. Kelly gave a solution in terms of matrix equations, and only addressed "level" channel encoding. This paper goes on to give a closed-form polynomial solution for the most common class of frame synchronizer strategies, and will also address "mark" and "space" (differential) channel encoding, and burst error environments. The paper is divided into four sections and follows a logically ordered presentation, with results developed before they are evaluated. However, most readers will derive the greatest benefit from this paper by treating the results as reference material. The result developed for differential encoding can be extended to other applications (like block codes) where the probability is needed that a block contains only a certain number of errors.

Lansdowne, Chatwin↗
DOE OSTI2021

An in-depth field validation of “DUSST”: A novel low-maintenance soiling measurement device

This study presents indoor and field validation results for two versions of the “DUSST” optical soiling sensor, intended to be a low-cost and low-maintenance device for measuring photovoltaic soiling losses. Indoor testing covers irradiance calibration and temperature dependencies, which are necessary to achieve high accuracy, low uncertainty field measurements. Field testing includes an array of different environments including Saudi Arabia, California, Utah, and Colorado. DUSST versions include a configuration with a 530-nm light emitting diode (LED) (discussed in previous work) and a unit with seven white LEDs and a polycarbonate collimating optic. The new design increases light intensity fivefold and demonstrates a single linear calibration coefficient is effective to measure soiling losses as high as 75%. Field data from Utah and California demonstrate that daily soiling loss measurements and soiling rate calculations closely match both reference cell and full-size module measurements of soiling losses and soiling rates. Corrective methods employed on the Utah DUSST sensor suggest that it is possible to achieve measurement errors as low as ±0.1% at two standard deviations. Field data from both Colorado and Saudi Arabia demonstrate that LED lens soiling can occur and that further design optimizations are needed. The lesson learned from all the field deployment locations suggests directions for future design improvements.

14 SOLAR ENERGY↗
NASA NTRS1986

The 10Be contents of SNC meteorites

Several authors have explored the possibility that the Shergottites, Nakhlites, and Chassigny (SNC) came from Mars. The spallogenic gas contents of the SNC meteorites have been used to: constrain the sizes of the SNC's during the last few million years; to establish groupings independent of the geochemical ones; and to estimate the likelihood of certain entries in the catalog of all conceivable passages from Mars to Earth. The particular shielding dependence of Be-10 makes the isotope a good probe of the irradiation conditions experienced by the SNC meteorites. The Be-10 contents of nine members of the group were measured using the technique of accelerator mass spectrometry. The Be-10 contents of Nakhla, Governador Valadares, Chassigny, and probably Lafayette, about 20 dpm/kg, exceed the values expected from irradiation of the surface of a large body. The Be-10 data therfore do not support scenario III of Bogard et al., one in which most of the Be-10 in the SNC meteorites would have formed on the Martian surface; they resemble rather the Be-10 contents found in many ordinary chondrites subjected to 4 Pi exposures. The uncertainties of the Be-10 contents lead to appreciable errors in the Be-10 ages, t(1) = -1/lambda ln(1 Be-10/Be-10). Nonetheless, the Be-10 ages are consistent with the Ne-21 ages calculated assuming conventional, small-body production rates and short terrestrial ages for the finds. It is believed that this concordance strengthens the case for at least 3 different irradiation ages for the SNC meteorites. Given the similar half-thicknesses of the Be-10 and Ne-21 production rates, the ratios of the Be-10 and Ne-21 contents do not appear consistent with common ages for any of the groups. In view of the general agreement between the Be-10 and Ne-21 ages it does not seem useful at this time to construct multiple-stage irradiation histories for the SNC meteorites.

Pal, D. K.↗
NASA NTRS2011

Measurement of CPAS Main Parachute Rate of Descent

The Crew Exploration Vehicle Parachute Assembly System (CPAS) is being designed to land the Orion Crew Module (CM) at a safe rate of descent at splashdown. Flight test performance must be measured to a high degree of accuracy to ensure this requirement is met with the most efficient design possible. Although the design includes three CPAS Main parachutes, the requirement is that the system must not exceed 33 ft/s under two Main parachutes, should one of the Main parachutes fail. Therefore, several tests were conducted with clusters of two Mains. All of the steady-state rate of descent data are normalized to standard sea level conditions and checked against the limit. As the Orion design gains weight, the system is approaching this limit to within measurement precision. Parachute "breathing," cluster interactions, and atmospheric anomalies can cause the rate of descent to vary widely and lead to challenges in characterizing parachute terminal performance. An early test had contradictory rate of descent results from optical trajectory and Differential Global Positioning Systems (DGPS). A thorough analysis of the data sources and error propagation was conducted to determine the uncertainty in the trajectory. It was discovered that the Time Space Position Information (TSPI) from the optical tracking provided accurate position data. However, the velocity from TPSI must be computed via numerical differentiation, which is prone to large error. DGPS obtains position through pseudo-range calculations from multiple satellites and velocity through Doppler shift of the carrier frequency. Because the velocity from DGPS is a direct measurement, it is more accurate than TSPI velocity. To remedy the situation, a commercial off-the-shelf product that combines GPS and an Inertial Measurement Unit (IMU) was purchased to significantly improve rate of descent measurements. This had the added benefit of solving GPS dropouts during aircraft extraction. Statistical probability distributions for CPAS Main parachute rate of descent and drag coefficient were computed and plotted. Using test data, a terminal rate of descent at splashdown can be estimated as a function of canopy loading.

Ray, Eric S.↗
DOE OSTI2023

Machine learning interatomic potential for silicon-nitride (Si 3 N 4 ) by active learning

Silicon nitride (Si 3 N 4 ) is an extensively used material in the automotive, aerospace, and semiconductor industries. However, its widespread use is in contrast to the scarce availability of reliable interatomic potentials that can be employed to study various aspects of this material on an atomistic scale, particularly its amorphous phase. In this work, we developed a machine learning interatomic potential, using an efficient active learning technique, combined with the Gaussian approximation potential (GAP) method. Our strategy is based on using an inexpensive empirical potential to generate an initial dataset of atomic configurations, for which energies and forces were recalculated with density functional theory (DFT); thereafter, a GAP was trained on these data and an iterative re-training algorithm was used to improve it by learning on-the-fly. When compared to DFT, our potential yielded a mean absolute error of 8 meV/atom in energy calculations for a variety of liquid and amorphous structures and a speed-up of molecular dynamics simulations by 3–4 orders of magnitude, while achieving a first-rate agreement with experimental results. Our potential is publicly available in an open-access repository.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Gravitational lensing of quasars as seen by the Hubble Space Telescope Snapshot Survey

Results from the ongoing HST Snapshot Survey are presented, with emphasis on 152 high-luminosity, z greater than 1 quasars. One quasar among those observed, 1208 + 1011, is a candidate lens system with subarcsecond image separation. Six other quasars have point sources within 6 arcsec. Ground-based observations of five of these cases show that the companion point sources are foreground Galactic stars. The predicted lensing frequency of the sample is calculated for a variety of cosmological models. The effect of uncertainties in some of the observational parameters upon the predictions is discussed. No correlation of the drift rate with time, right ascension, declination, or point error is found.

Maoz, D.↗
NASA NTRS2025

CFD Validation and Scaling of a Condenser Used in an ISRU Propellant Production System

This work develops a Computational Fluid Dynamics (CFD) model of a Commercial-Off-The-Shelf (COTS) condenser used for ground-based testing of an In-Situ Resource Utilization (ISRU) propellant production system. STAR-CCM+ was used to simulate water condensing through the condenser downstream of a methanation reactor. The computational data of the digital model is validated with test cases using nitrogen and water in ambient conditions. After validation with the test data, the digital model can be used to predict scale at higher production targets. The StarCCM+ simulation of the digital model shows good agreement with the test data provided. From the simulation, the condensation rate calculated was 18.3 g/hr and the process gas mass flow rate was 709.2 g/hr. The test data measured an average 16.9 g/hr condensation rate and 693.6 g/hr process gas mass flow rate. The simulation shows a 7.3% error in the water condensation and 2.2% error in the process gas at the outlet.

Condenser↗
NASA NTRS2018

A Simple, Velocity Dependent, Collision Probability Algorithm for Small Combined Hard Body Radii Close Approach Events

Over the last few years progress has been made in the velocity dependent collision probability problem. Recent progress in this problem has been approached via integration of the probability flux into the surface of the combined hard body object. The algorithm presented uses the surface flux approach and is designed to compute the collision probability rate between two objects given their time dependent states and state error covariance matrices. With regards to the computation of the collision probability (Pc) rate, two major differences exist between the development of this algorithm and the usual Pc algorithm. First, the shape of the at-risk volume is assumed to be a cube rather than a sphere. The size of the cube is chosen so that it circumscribes the usual hard body sphere chosen for the spherical Pc problem. This will result in half the length of a side of the cube being equal to the hard body radius (HBR) of the sphere. Second, it is assumed that the HBR of the cube is much smaller than the smallest combined position uncertainty (σ(sub min) > 5*HBR) at each time point of evaluation. This is necessary as the actual collision probability calculation is based on a first order, small variable expansion in the position components of the Gaussian probability density function. This leads to the collision probability rate being to second order in the combined HBR. The collision probability rate is in a concise, closed form containing exponential and error functions.

Frisbee, Joe↗
NASA NTRS2011

Jitter Controller Software

Sinusoidal jitter is produced by simply modulating a clock frequency sinusoidally with a given frequency and amplitude. But this can be expressed as phase jitter, frequency jitter, or cycle-to-cycle jitter, rms or peak, absolute units, or normalized to the base clock frequency. Jitter using other waveforms requires calculating and downloading these waveforms to an arbitrary waveform generator, and helping the user manage relationships among phase jitter crest factor, frequency jitter crest factor, and cycle-to-cycle jitter (CCJ) crest factor. Software was developed for managing these relationships, automatically configuring the generator, and saving test results documentation. Tighter management of clock jitter and jitter sensitivity is required by new codes that further extend the already high performance of space communication links, completely correcting symbol error rates higher than 10 percent, and therefore typically requiring demodulation and symbol synchronization hardware to operating at signal-to-noise ratios of less than one. To accomplish this, greater demands are also made on transmitter performance, and measurement techniques are needed to confirm performance. It was discovered early that sinusoidal jitter can be stepped on a grid such that one can connect points by constant phase jitter, constant frequency jitter, or constant cycle-cycle jitter. The tool automates adherence to a grid while also allowing adjustments off-grid. Also, the jitter can be set by the user on any dimension and the others are calculated. The calculations are all recorded, allowing the data to be rapidly plotted or re-plotted against different interpretations just by changing pointers to columns. A key advantage is taking data on a carefully controlled grid, which allowed a single data set to be post-analyzed many different ways. Another innovation was building a software tool to provide very tight coupling between the generator and the recorded data product, and the operator's worksheet. Together, these allowed the operator to sweep the jitter stimulus quickly along any of three dimensions and focus on the response of the system under test (response was jitter transfer ratio, or performance degradation to the symbol or codeword error rate). Additionally, managing multi-tone and noise waveforms automated a tedious manual process, and provided almost instantaneous decision- making control over test flow. The code was written in LabVIEW, and calls Agilent instrument drivers to write to the generator hardware.

Lansdowne, Chatwin↗
NASA NTRS1986

Reaction of atomic bromine with acetylene and loss rate of atmospheric acetylene due to reaction with OH, Cl, O, and Br

The first-order, diffusion, and bimolecular rate constants for the reaction Br + C2H2 yields C2H3Br are evaluated. The rate constants are measured at 210, 248, 298, and 393 K and at pressures between 15-100 torr Ar using flash photolysis combined with time-resolved detection of atomic bromine via Br resonance radiation. It is observed that the reaction is not affected by pressure or temperature and the bimolecular constant = (4.0 + or - 0.8) x 10 to the -15th cu cm/sec with an error of two standard deviations. The C2H2 + Br reaction rates are compared with reactions of C2H2 with Cl, OH, NH2, and H. The loss rates for atmospheric C2H2 for reactions with OH, Cl, O, and Br are calculated as a function of altitude.

Payne, W. A.↗
NASA NTRS1991

Determination of shuttle orbiter center of gravity from flight measurements

Flight measurements of pitch, yaw, and roll rates and the resultant rotationally induced linear accelerations during three orbital maneuvers on Shuttle mission space transportation system (STS) 61-C were used to calculate the actual orbiter center-of-gravity location. The calculation technique reduces error due to lack of absolute calibration of the accelerometer measurements and compensates for accelerometer temperature bias and for the effects of gravity gradient. Accuracy of the technique was found to be limited by the nonrandom and asymmetrical distribution of orbiter structural vibration at the accelerometer mounting location. Fourier analysis of the vibration was performed to obtain the power spectral density profiles which show magnitudes in excess of 10(exp 4) ug (sup 2)/Hz for the actual vibration and over 500 ug (sup 2)/Hz for the filtered accelerometer measurements. The data from this analysis provide a characterization of the Shuttle acceleration environment which may be useful in future studies related to accelerometer system application and zero-g investigations or processes.

Hinson, E. W.↗
NASA NTRS2016

Bluetooth(Registered Trademark) Heart Rate Monitors for Spaceflight

Heart rate monitoring is required during exercise for crewmembers aboard the International Space Station (ISS) and will be for future exploration missions. The cardiovascular system must be sufficiently stressed throughout a mission to maintain the ability to perform nominal and contingency/emergency tasks. High quality heart rate data is required to accurately determine the intensity of exercise performed by the crewmembers and show maintenance of VO2max. The quality of the data collected on ISS is subject to multiple limitations and is insufficient to meet current requirements. PURPOSE: To evaluate the performance of commercially available Bluetooth® heart rate monitors (BT_HRM) and their ability to provide high quality heart rate data to monitor crew health on board ISS and during future exploration missions. METHODS: Nineteen subjects completed 30 data collection sessions of various intensities on the treadmill and/or cycle. Subjects wore several BT_HRM technologies for each testing session. One electrode-based chest strap (CS) was worn, while one or more optical sensors (OS) was worn. Subjects were instrumented with a 12-lead ECG to compare the heart rate data from the Bluetooth sensors. Each BT_RHM data set was time matched to the ECG data and a +/-5bpm threshold was applied to the difference between the two data sets. Percent error was calculated based on the number of data points outside the threshold and the total number of data points. REULTS: The electrode-based chest straps performed better than the optical sensors. The best performing CS was CS1 (1.6%error), followed by CS4 (3.3%error), CS3 (6.4%error), and CS2 (9.2%error). The OS resulted in 10.4% error for OS1 and 14.9% error for OS2. CONCLUSIONS: The highest quality data came from CS1, unfortunately it has been discontinued by the manufacturer. The optical sensors have not been ruled out for use, but more investigation is needed to determine how to get the best quality data. CS2 will be used in an ISS Bluetooth validation study, because it simultaneously transmits Magnetic Pulse which is integrated with existing exercise hardware on ISS. The simultaneous data streams allow for beat to beat comparison between the current ISS standard and CS2.Upon Bluetooth(Registered Trademark) validation aboard ISS, down select of a new BT_HRM for operational use will be made.

Buxton, Roxanne E.↗
NASA NTRS2016

Bluetooth Heart Rate Monitors For Spaceflight

Heart rate monitoring is required for crewmembers during exercise aboard the International Space Station (ISS) and will be for future exploration missions. The cardiovascular system must be sufficiently stressed throughout a mission to maintain the ability to perform nominal and contingency/emergency tasks. High quality heart rate data are required to accurately determine the intensity of exercise performed by the crewmembers and show maintenance of VO2max. The quality of the data collected on ISS is subject to multiple limitations and is insufficient to meet current requirements. PURPOSE: To evaluate the performance of commercially available Bluetooth heart rate monitors (BT_HRM) and their ability to provide high quality heart rate data to monitor crew health aboard the ISS and during future exploration missions. METHODS: Nineteen subjects completed 30 data collection sessions of various intensities on the treadmill and/or cycle. Subjects wore several BT_HRM technologies for each testing session. One electrode-based chest strap (CS) was worn, while one or more optical sensors (OS) were worn. Subjects were instrumented with a 12-lead ECG to compare the heart rate data from the Bluetooth sensors. Each BT_HRM data set was time matched to the ECG data and a +/-5bpm threshold was applied to the difference between the 2 data sets. Percent error was calculated based on the number of data points outside the threshold and the total number of data points. RESULTS: The electrode-based chest straps performed better than the optical sensors. The best performing CS was CS1 (1.6% error), followed by CS4 (3.3% error), CS3 (6.4% error), and CS2 (9.2% error). The OS resulted in 10.4% error for OS1 and 14.9% error for OS2. CONCLUSIONS: The highest quality data came from CS1, but unfortunately it has been discontinued by the manufacturer. The optical sensors have not been ruled out for use, but more investigation is needed to determine how to obtain the best quality data. CS2 will be used in an ISS Bluetooth validation study, because it simultaneously transmits magnetic pulse that is integrated with existing exercise hardware on ISS. The simultaneous data streams allow for beat-to-beat comparison between the current ISS standard and CS2. Upon Bluetooth validation aboard ISS, the research team will down select a new BT_HRM for operational use.

Buxton, R. E.↗