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At least 271 records · Page 15

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Validation of Accurate Cryogenic Fluid Vapor-Liquid Boundary Conditions Via Molecular Simulations

Vapor-liquid interfaces drive many important phenomena in cryogenic fluid management, including heat transfer, evaporation, and capillary flow. Design of cryogenic fluid systems, such as propellant storage, requires accurate predictions of fluid behavior, including evaporation rates. Many models have been proposed for heat and mass transfer at vapor liquid interfaces, but the accuracy of these models in the context of cryogenic fluids has not been performed. We use molecular dynamics simulations, which allow for nanometer scale resolution of fluid phenomena, to evaluate the accuracy of a variety of vapor-liquid boundary conditions at evaporating and condensing interfaces. We find that an anisotropic temperature distribution is a critical ingredient for accurate prediction of intensive evaporation and condensation.

Daniel Vigil↗

DOE OSTI2024

Discovering type I cis-AT polyketides through computational mass spectrometry and genome mining with Seq2PKS

Type 1 polyketides are a major class of natural products used as antiviral, antibiotic, antifungal, antiparasitic, immunosuppressive, and antitumor drugs. Analysis of public microbial genomes leads to the discovery of over sixty thousand type 1 polyketide gene clusters. However, the molecular products of only about a hundred of these clusters are characterized, leaving most metabolites unknown. Characterizing polyketides relies on bioactivity-guided purification, which is expensive and time-consuming. To address this, we present Seq2PKS, a machine learning algorithm that predicts chemical structures derived from Type 1 polyketide synthases. Seq2PKS predicts numerous putative structures for each gene cluster to enhance accuracy. The correct structure is identified using a variable mass spectral database search. Benchmarks show that Seq2PKS outperforms existing methods. Applying Seq2PKS to Actinobacteria datasets, we discover biosynthetic gene clusters for monazomycin, oasomycin A, and 2-aminobenzamide-actiphenol.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Metabolite discovery through global annotation of untargeted metabolomics data

Liquid chromatography–high-resolution mass spectrometry (LC-MS)-based metabolomics aims to identify and quantify all metabolites, but most LC-MS peaks remain unidentified. Here we present a global network optimization approach, NetID, to annotate untargeted LC-MS metabolomics data. The approach aims to generate, for all experimentally observed ion peaks, annotations that match the measured masses, retention times and (when available) tandem mass spectrometry fragmentation patterns. Peaks are connected based on mass differences reflecting adduction, fragmentation, isotopes, or feasible biochemical transformations. Global optimization generates a single network linking most observed ion peaks, enhances peak assignment accuracy, and produces chemically informative peak–peak relationships, including for peaks lacking tandem mass spectrometry spectra. Applying this approach to yeast and mouse data, we identified five previously unrecognized metabolites (thiamine derivatives and N-glucosyl-taurine). Isotope tracer studies indicate active flux through these metabolites. Furthermore, NetID applies existing metabolomic knowledge and global optimization to substantially improve annotation coverage and accuracy in untargeted metabolomics datasets, facilitating metabolite discovery.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2022

Novel Crash Sled with a Translating Support Mass

Background: A novel crash sled has been developed with a translating support, incorporating transducers that allow multiple methods of measuring energy absorption to fully characterize the dynamic crush response of composite components. Objective: The main goal of the current investigation was to demonstrate functionality, repeatability, and accuracy of crush testing using a crash sled with a translating support mass. Methods: A semi-automated algorithm for data reduction was developed based on impact mechanics principles. A preliminary set of tests was initially conducted using aluminum honeycomb specimens with a specified stable crushing force to quantify the accuracy and repeatability of the crush data. Following the success of these tests, triaxially-braided fiber-reinforced polymer (FRP) specimens were evaluated. Results: Crush tests with the aluminum honeycomb specimens showed excellent outcomes for all three specimens. These data provided close agreement with cumulative energy absorption between individual instruments and stable crushing forces at expected values. For the FRP specimens, specific energy absorption (SEA) and force-displacement curves were successfully measured; however, data from the translating support mass accelerometer was excluded from the dataset due to clipping. The SEA of the corrugated specimens was greater than the SEA for the C-channel specimens at both test speeds. Conclusions: The crash sled functionality was verified, the specimen geometry was found to contribute more to SEA than the impact speed in the speed range tested, and the support mass accelerometer will be upgraded to prevent clipping in future tests.

Dynamic Crush↗

NASA NTRS1978

Numerical analyses for treating diffusion in single-, two- and three-phase binary alloy systems

Numerical solutions were applicable for planar, cylindrical, or spherical geometries with any diffusion-zone size and any continuous variation of the diffusion coefficient with concentration. Special techniques were included in the analyses to account for differences in molal volumes, initiation and growth of an intermediate phase, disappearance of a phase, and the presence of an initial composition profile in the specimen. A major improvement in solution accuracy was achieved in the two phase analysis by employing a mass conservation criterion to establish the location of the interface rather than the conventional interface-flux-balance criterion. In the three phase analysis, computation time was minimized without sacrificing solution accuracy by treating the three phase problem as a two phase problem when the thickness of the intermediate phase was less than a preset small value. Three computer codes were developed to perform these analyses.

Tenney, D. R.↗

DOE OSTI2026

Single-Particle Isotopic Analysis Using the Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Coupled to an Orbitrap Mass Spectrometer

Isotope ratio (IR) determinations on individual particles can provide valuable information relative to the sample, including processing and dating, which could be valuable to geological and nuclear material analysis communities. In comparison to “bulk” measurements, in which all particle information is lost and homogenized within a sample, “particle” measurements allow for fingerprinting and can provide unique insights related to the sample’s nano- and micro- compositions. Furthermore, the complex nature of particles, with potential isobaric interferences from either the matrix or other elements within the same particle, poses a significant analytical challenge for conventional mass spectrometry platforms employed for elemental analysis due to their limited mass resolution. Presented here is the first demonstration of an ultrahigh resolution method for single particle (SP) isotopic analysis using the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled to an Orbitrap mass spectrometer and FTMS Booster X2T acquisition/processing system. For proof of concept, well-characterized CeO 2 microparticles with a nominal diameter of 1.0 μm were analyzed at a mass resolution of ∼330,000. Important instrumental parameters were optimized to enable the detection of single particles. The 142 Ce/ 140 Ce ratio of individual particles and the population average were determined and compared to an SP inductively coupled plasma time-of-flight mass spectrometry (ICP-TOF-MS) analysis. The isotopic accuracy and precision were determined by two methods and found to be in good agreement with the SP-ICP-TOF-MS method, with the linear regression slope method providing a more accurate ratio, showing a ∼1.4% relative difference from the ratio determined from a particle digest. The encouraging performance of the method was further supported by a determined detection limit of 2.9 fg ( 142 Ce). The developed method is anticipated to overcome many of the challenges posed by isobaric interferences encountered in conventional mass spectrometry techniques when analyzing real-world samples for particle isotopic composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

N-point correlations for biased galaxy formation

A general series expansion of arbitrary accuracy is given for the correlation function of the 'biased' regions of galaxy formation in terms of the mass autocorrelations. It is shown how to calculate the N-point correlations to arbitrary accuracy, and the validity of the various approximations is discussed. The asymptotic values of the N-point correlation functions at their highest point at zero spatial separation are given, and the scaling of these values is discussed.

Jensen, L. G.↗

NASA NTRS2017

Performance Verification and Testing of the COWVR Instrument Antenna

The Compact Ocean Wind Vector Radiometer (COWVR) is a technology demonstration mission, developed at the Jet Propulsion Laboratory (JPL), and scheduled for launch in 2016. The goal of COWVR is to provide the same windvector retrieval accuracy of other instruments, like WindSat, while reducing the total mass and using less power. In this paper, we present an overview of the COWVR instrument, and a detailed description of the EM (Electromagnetic) modeling of the antenna system and the test campaign carried out at JPL to assess its performance. Special emphasis has been placed on assessing the accuracy of the predictions made with the RF (Radio Frequency) model. We will show that the predicted radiation patterns are accurate enough so one can use them for orbit radiometer calibration.

Radiation Patterns↗

NASA NTRS2010

LISA and LISA Pathfinder: Gravitational Wave Observation in Space

The Laser Interferometer Space Antenna (LISA) is a planned NASA-ESA gravitational wave observatory in the frequency range of 0.1 mHz--100 mHz. This observation band is inaccessible to ground-based detectors due to fluctuations in the Earth gravitational field. Gravitational wave sources for LISA include galactic binaries, mergers of supermassive black-hole binaries, extreme-mass-ratio inspirals, and cosmology backgrounds and bursts. LISA is a constellation of three spacecraft separated by 5 million km in an equilateral triangle, whose center follows the Earth in a heliocentric orbit with an orbital phase offset of 20 degrees. Challenging technology is required to ensure pure geodetic trajectories of the six onboard test masses, whose distance fluctuations will be measured by interspacecraft laser interferometers with picometer accuracy. LISA Pathfinder is an ESA-launched technology demonstration mission of key LISA subsystems such as spacecraft control with micronewton thrusters, test mass drag-free control, and precision laser interferometry between free-flying test masses. Ground testing of hardware of the Gravitational Reference Sensor and Optical Metrology subsystems of LISA Pathfinder is currently ongoing. A detailed description of the two missions and an overview of current investigations conducted by the community will be discussed. The current status in development and implementation of LISA Pathfinder pre-flight systems and latest results of the ongoing ground testing efforts will also be presented.

Guzman, Felipe↗

DOE OSTI2024

Effect of Inlet Throttling on Thermohydraulic Instability in a Large Scale Waterbased RCCS: A System-Level Analysis with RELAP5-3D

This paper presents results from system -level modeling of a water -based reactor cavity cooling system using RELAP5-3D. The computational model is benchmarked with experimental data from a half -scale RCCS test facility at Argonne National Laboratory. The model prediction is first compared with a two-phase oscillatory baseline experimental case where mixed accuracy is obtained. The model shows reasonable prediction of mass flow rate, pressure, and temperature but significant overprediction of void fraction. The model prediction is then compared with a fault case where the inlet of the risers is gradually reduced using a throttling valve. As the valve is closed, the model is able to predict some major flow phenomena observed in the experiment such as the dampening of oscillations, the reintroduction of oscillations, as well as boiling, flashing, and geysering in the risers. However, the timeline of these events are not well captured by the model. The model is also used to investigate the evolution of flow regime in the chimney. This work highlights that the semiempirical constitutive relations used in RELAP-3D could have a strong influence on the accuracy of the model in two-phase oscillatory flows.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

How to measure the W Mass: A Theory Perspective [Slides]

CDF used ResBos code at NNLL+NLO accuracy. ResBos v2 is able to go to N 3 LL+NNLO accuracy. ResBos2 corrected major criticism of incorrect angular functions in the ResBos code. Mimic CDF analysis using pseudoexperiments at N 3 LL+NNLO accuracy. We report find shift to be consistent with 0 MeV and up to 10 MeV in worse case.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

How to measure the W Mass: A Theory Perspective [Slides]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2023

Comparative Accuracies of Models for Drag Prediction During Geomagnetically Disturbed Periods: A First Principles Model Versus Empirical Models

We examine the accuracy of density prediction by the first principles model Thermosphere Ionosphere Electrodynamics General Circulation Model (TIEGCM) developed by the National Center for Atmospheric Research and compare it to the accuracy of three empirical models: Jacchia 71, the Naval Research Laboratory Mass Spectrometer Incoherent Scatter Extended 2000 (NRLMSIS), Jacchia 1971, and Jacchia-Bowman 2008. Comparisons are made for three large storms: the October 2003 storm, the March 2013 storm, and the March 2015 storm. To evaluate the accuracy of these models we use tracking data for nine space objects in low Earth orbit. Additionally, we evaluate the accuracy of the TIEGCM and NRLMSIS with data from high precision accelerometers on the Challenging Minisatellite Payload (CHAMP) and Gravity field and Circulation Explorer (GOCE) satellites. The goal is to assess the use of a first principles model as a potential tool for forecasting satellite drag during large magnetic storms. For the storms considered, we found the TIEGCM, JB2008, and NRLMSIS models to be substantially more accurate than the Jacchia 71 model. The accuracies of the TIEGCM and JB2008 models were similar, but overall, the TIEGCM was more accurate. We found smaller differences for TIEGCM versus CHAMP than for NRLMIS for the Halloween Storm, and smaller differences than results published for JB2008 and the assimilative model HASDM. The empirical models are at present more practical for operational purposes, but the TIEGCM, developed as a research model, with a greater focus on operational use offers the potential for improved utility during stressing conditions.

R. L. Walterscheid↗

DOE OSTI2021

Measuring Signatures of Fuel Irradiation in Large Particle Samples

Understanding the operating history of a nuclear facility is one of the key goals in nuclear safeguards, enabling the verification of declared activities. This is accomplished via a number of mechanisms, including the analysis of samples collected at the facility. The best metrics for understanding and verifying the history of nuclear fuel are (1) actinide isotopic content and (2) actinide inter-element ratios. While techniques have long existed for measuring these values with high accuracy and precision in bulk samples, as samples become smaller – such as may be collected in environmental collection – new methods are required both for clean processing of pure samples, and for analysis of these small samples. This study describes a new extraction chromatography technique for recovering U, Pu, and Am from single small aliquots, and advanced mass spectrometry methods for high-precision and high-accuracy analysis of trace and ultra-trace levels of actinides. These techniques are applied to particle samples cut from fuel from a historic nuclear reactor. Ages calculated from Pu–Am chronometry of particles are in excellent agreement with the known operating history of the reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

A Smart System for the Contactless Measurement of Energy Expenditure

Energy Expenditure (EE) (kcal/day), a key element to guide obesity treatment, is measured from CO 2 production, VCO 2 (mL/min), and/or O 2 consumption, VO 2 (mL/min). Current technologies are limited due to the requirement of wearable facial accessories. A novel system, the Smart Pad, which measures EE via VCO 2 from a room’s ambient CO 2 concentration transients was evaluated. Resting EE (REE) and exercise VCO 2 measurements were recorded using Smart Pad and a reference instrument to study measurement duration’s influence on accuracy. The Smart Pad displayed 90% accuracy (±1 SD) for 14–19 min of REE measurement and for 4.8–7.0 min of exercise, using known room’s air exchange rate. Additionally, the Smart Pad was validated measuring subjects with a wide range of body mass indexes (BMI = 18.8 to 31.4 kg/m2), successfully validating the system accuracy across REE’s measures of ~1200 to ~3000 kcal/day. Furthermore, high correlation between subjects’ VCO 2 and λ for CO 2 accumulation was observed (p < 0.00001, R = 0.785) in a 14.0 m3 sized room. This finding led to development of a new model for REE measurement from ambient CO 2 without λ calibration using a reference instrument. The model correlated in nearly 100% agreement with reference instrument measures (y = 1.06x, R = 0.937) using an independent dataset (N = 56).

47 OTHER INSTRUMENTATION↗

NASA NTRS2010

Laser Interferometry for Gravitational Wave Observation: LISA and LISA Pathfinder

The Laser Interferometer Space Antenna (LISA) is a planned NASA-ESA gravitational wave observatory in the frequency range of 0.1mHz-100mHz. This observation band is inaccessible to ground-based detectors due to the large ground motions of the Earth. Gravitational wave sources for LISA include galactic binaries, mergers of supermasive black-hole binaries, extreme-mass-ratio inspirals, and possibly from as yet unimagined sources. LISA is a constellation of three spacecraft separated by 5 million km in an equilateral triangle, whose center follows the Earth in a heliocentric orbit with an orbital phase offset oF 20 degrees. Challenging technology is required to ensure pure geodetic trajectories of the six onboard test masses, whose distance fluctuations will be measured by interspacecraft laser interferometers with picometer accuracy. LISA Pathfinder is an ESA-launched technology demonstration mission of key LISA subsystems such us spacecraft control with micro-newton thrusters, test mass drag-free control, and precision laser interferometry between free-flying test masses. Ground testing of flight hardware of the Gravitational Reference Sensor and Optical Metrology subsystems of LISA Pathfinder is currently ongoing. An introduction to laser interferometric gravitational wave detection, ground-based observatories, and a detailed description of the two missions together with an overview of current investigations conducted by the community will bc discussed. The current status in development and implementation of LISA Pathfinder pre-flight systems and latest results of the ongoing ground testing efforts will also be presented

Guzman, Felipe↗

NASA NTRS2017

Determining the Products of Inertia for Small Scale UAVs

Moments of inertia and products of inertia often need to be determined for aircraft. As complex bodies, their mass properties need to be determined experimentally for best accuracy. While several moment of inertia experimental techniques have been developed, there are few to determine the products of inertia. Products of inertia can be easily determined mathematically if the angle between the aircraft x body axis and principal x axis is known. This method finds the principal inclination angle by mathematically correlating the measured moments of inertia about a range of axes of the aircraft. This correlation uses a least squares error minimization of a mathematical model that describes the ellipse of inertia in the aircraft's x-z axes plane. Results from a test conducted on a small scale UAV (Unmanned Aerial Vehicle) at NASA Armstrong Flight Research Center is also presented, which is an example of the intended application of this technique.

mass properties↗

DOE OSTI2021

An Extended Halo-based Group/Cluster Finder: Application to the DESI Legacy Imaging Surveys DR8

We extend the halo-based group finder developed by Yang et al. (2005c) to use data simultaneously with either photometric or spectroscopic redshifts. A mock galaxy redshift survey constructed from a high-resolution N-body simulation is used to evaluate the performance of this extended group finder. For galaxies with magnitude z ≤ 21 and redshift 0 < z ≤ 1.0 in the DESI legacy imaging surveys (the Legacy Surveys), our group finder successfully identifies more than 60% of the members in about 90% of halos with mass ≳10 12.5 h –1 M ⊙ . Detected groups with mass ≳10 12.0 h –1 M ⊙ have a purity (the fraction of true groups) greater than 90%. The halo mass assigned to each group has an uncertainty of about 0.2 dex at the high-mass end ≳10 13.5 h –1 M ⊙ and 0.45 dex at the low-mass end. Groups with more than 10 members have a redshift accuracy of ~0.008. We apply this group finder to the Legacy Surveys DR8 and find 6.4 million groups with at least three members. About 500,000 of these groups have at least 10 members. Furthermore, the resulting catalog containing 3D coordinates, richness, halo masses, and total group luminosities is made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗