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NASA NTRS1999

Microgravity Transport Phenomena Experiment (MTPE) Overview

The Microgravity Transport Phenomena Experiment (MTPE) is a fluids experiment supported by the Fundamentals in Biotechnology program in association with the Human Exploration and Development of Space (BEDS) initiative. The MTP Experiment will investigate fluid transport phenomena both in ground based experiments and in the microgravity environment. Many fluid transport processes are affected by gravity. Osmotic flux kinetics in planar membrane systems have been shown to be influenced by gravimetric orientation, either through convective mixing caused by unstably stratified fluid layers, or through a stable fluid boundary layer structure that forms in association with the membrane. Coupled transport phenomena also show gravity related effects. Coefficients associated with coupled transport processes are defined in terms of a steady state condition. Buoyancy (gravity) driven convection interferes with the attainment of steady state, and the measurement of coupled processes. The MTP Experiment measures the kinetics of molecular migration that occurs in fluids, in response to the application of various driving potentials. Three separate driving potentials may be applied to the MTP Experiment fluids, either singly or in combination. The driving potentials include chemical potential, thermal potential, and electrical potential. Two separate fluid arrangements are used to study membrane mediated and bulk fluid transport phenomena. Transport processes of interest in membrane mediated systems include diffusion, osmosis, and streaming potential. Bulk fluid processes of interest include coupled phenomena such as the Soret Effect, Dufour Effect, Donnan Effect, and thermal diffusion potential. MTP Experiments are performed in the Microgravity Transport Apparatus (MTA), an instrument that has been developed specifically for precision measurement of transport processes. Experiment fluids are contained within the MTA fluid cells, designed to create a one dimensional flow geometry of constant cross sectional area, and to facilitate fluid filling and draining operations in microgravity. The fluid cells may be used singly for bulk solutions, or in a Stokes diaphragm configuration to investigate membrane mediated phenomena. Thermal and electrical driving potentials are applied to the experiment fluids through boundary plates located at the ends of the fluid cells. In the ground based instrument, two constant temperature baths circulate through reservoirs adjacent to the boundary plates, and establish the thermal environment within the fluid cells. The boundary plates also serve as electrodes for measurement and application of electrical potentials. The Fluid Manipulation System associated with the MTA is a computer controlled system that enables storage and transfer of experiment fluids during on orbit operations. The system is used to automatically initiate experiments and manipulate fluids by orchestrating pump and valve operations through scripted sequences. Unique technologies are incorporated in the MTA for measurement of fluid properties. Volumetric Flow Sensors have been developed for precision measurement of total fluid volume contained within the fluid cells over time. This data is most useful for measuring the kinetics of osmosis, where fluid is transported from one fluid cell to another through a semipermeable membrane. The MicroSensor Array has been designed to perform in situ measurement of several important fluid parameters, providing simultaneous measurement of solution composition at multiple locations within the experiment fluids. Micromachined sensors and interface electronics have been developed to measure temperature, electrical conductivity, pH, cation activity, and anion activity. The Profile Refractometer uses a laser optical system to directly image the fluid Index of Refraction profile that exists along the MTA fluid cell axis. A video system acquires images of the RI profile over time, and records the transport kinetics that occur upon application of chemical, thermal, or electrical driving potentials. Image processing algorithms have been developed to analyze the refractometer images on a pixel by pixel basis, calibrating and scaling the measured Index of Refraction profile to correlated solution properties of interest such as density, concentration, and temperature. Additional software has been developed to compile the processed images into a three dimensional matrix that contains fluid composition data as a function of experiment time and position in the fluid cell. These data are combined with data from the other sensor systems, and analyzed in the context of transport coefficients associated with the various transport phenomena. Analysis protocols have been developed to measure the transient kinetics, and steady state distribution of fluid components that occur in response to the applied driving potentials. The results are expressed in terms of effective transport coefficients. Experiments have been performed using a variety of solutes, and results generated are that are in agreement with published transport coefficient values.

Mason, Larry W.↗
NASA NTRS2020

Tidal Disruptions of Main Sequence Stars - II. Simulation Methodology and Stellar Mass Dependence of the Character of Full Tidal Disruptions

This paper introduces a series of papers presenting a quantitative theory for the tidal disruption of main-sequence stars by supermassive black holes. Using fully general relativistic hydrodynamics simulations and MESA-model initial conditions, we explore the pericenter-dependence of tidal disruption properties for eight stellar masses (0.15 < M_/M<10)and six black hole masses( ́10<MM105 105BH7). We present here the results most relevant to observations. The effects of internal stellar structure and relativity decouple for both the disruption cross section and the characteristic energy width of the debris. Moreover, the full disruption cross section is almost independent of Må for Må/Me3. Independent of Må, relativistic effects increase the critical pericenter distance for full disruption events by up to a factor of ∼3 relative to the Newtonian prediction. The probability of a direct capture is also independent of Må; at MBH/Me5×106this probability is equal to the probability of a complete disruption. The breadth of the debris energy distribution ΔE can differ from the standard estimate by factors of 0.35−2, depending on Må and MBH, implying a corresponding change(∝(ΔE)−3/2)in the characteristic mass-return timescale. We provide analytic forms, suitable for use in both event rate estimates and parameter inference, to describe all these trends. For partial disruptions, we find a nearly universal relation between the star’s angular momentum and the fraction of Må remaining. Within the “empty loss-cone” regime, partial disruptions must precede full disruptions. These partial disruptions can drastically affect the rate and appearance of subsequent total disruptions

Taeho Ryu↗
NASA NTRS1993

IMPS albedo and diameter for Asteroid 243 Ida

243 Ida is the second asteroid target of the Galileo mission. The Infrared Astronomical Satellite (IRAS) detected Ida several times during its 1983 sky survey. The IRAS Minor Planet Survey (IMPS) yields a total of 13 usable observations during 6 sightings of Ida. These data result in a geometric visual albedo of 0.24 and a mean diameter of 28 km for Ida. The IMPS catalog updates and extends the IRAS Asteroid and Comet Survey through asteroid number 4679. File versions of IMPS final products will be available from the National Space Science Data Center (NSSDC). The input for IMPS processing includes updated visual absolute magnitudes and orbital elements for each asteroid. H and G are 9.94 and 0.15 for Ida. IMPS also includes a correction for low flux densities (less than approximately 1 Jansky). In the case of Ida, 3 observations at 12 microns, 6 at 25 microns, and 4 at 60 microns were considered acceptable for analysis. Most of these do have flux densities less than 1 Jansky with a value of approximately 5 for their estimated SNR. The 25 microns observations as plotted in the figure are consistent with the variation expected for the cross section of Ida with rotation. Ida is a main belt asteroid with an S taxonomic classification. The spectra of S asteroids tend to be dominated by pyroxene with visual albedos from 0.1 to 0.3. The IMPS average albedo of 0.24 (plus or minus 0.07) for 243 Ida is in the upper range observed for S asteroids.

Veeder, G. J.↗
NASA NTRS2020

Tidal Disruptions of Main Sequence Stars - I. Observable Quantities and their Dependence on Stellar and Black Hole Mass

This paper introduces a series of papers presenting a quantitative theory for the tidal disruption of main-sequence stars by supermassive black holes. Using fully general relativistic hydrodynamics simulations and MESA-model initial conditions, we explore the pericenter-dependence of tidal disruption properties for eight stellar masses(MM0.1510)and six black hole masses( MM105 105BH7). We present here the results most relevant to observations. The effects of internal stellar structure and relativity decouple for both the disruption cross section and the characteristic energy width of the debris. Moreover, the full disruption cross section is almost independent of Må for Må/Me3. Independent of Må, relativistic effects increase the critical pericenter distance for full disruption events by up to a factor of∼3 relative to the Newtonian prediction. The probability of a direct capture is also independent of Må; at MBH/Me;5×106 this probability is equal to the probability of a complete disruption. The breadth of the debris energy distribution ΔE can differ from the standard estimate by factors of0.35−2, depending on Må and MBH, implying a corresponding change(∝(ΔE)−3/2)in the characteristic mass-return timescale. We provide analytic forms, suitable for use in both event rate estimates and parameter inference, to describe all these trends. For partial disruptions, we find a nearly universal relation between the star’s angular momentum and the fraction of Må remaining. Within the “empty loss-cone” regime, partial disruptions must precede full disruptions. These partial disruptions can drastically affect the rate and appearance of subsequent total disruptions.

Taeho Ryu↗
DOE OSTI2020

Savannah River Site High Level Radioactive Waste Tank Sample Thermolytic Hydrogen Generation - 20346

To support the revision of flammability calculations and controls for the Savannah River Site (SRS) High-Level Radioactive Waste (HLW) tanks, Savannah River National Laboratory (SRNL) conducted laboratory measurements with the goal of quantifying hydrogen produced in HLW by non-radiolytic chemical reactions (i.e., thermolysis). Testing was performed with HLW tank supernate samples that represented a cross section of types of waste at SRS, including tanks that store typical evaporator concentrate, dissolved salt-cake, dilute recycle stream from the Defense Waste Processing Facility (DWPF), evaporator concentrate of the recycle stream from DWPF, fresh waste from the canyon separations facility, and waste that has been through salt processing cesium removal. Non-radioactive simulant testing included the classes of organic compounds historically introduced into the HLW tanks that were recently shown to be the most active toward the thermolytic generation of hydrogen. The reaction rate equations developed for thermolytic hydrogen generation from each class of organic compound showed direct proportionality to organic compound concentration and hydroxide concentration. Simulant testing identified that highly concentrated waste with high hydroxide concentration had the highest rates of thermolytic hydrogen generation. Using the radioactive tank sample thermolysis measurements at high temperatures and the mechanistic salt dependence of the simulant models, a global model was developed for tank waste thermolytic hydrogen generation as a function of total organic carbon content of SRS HLW. Through the primary functionality of the global model (organic carbon and free hydroxide concentration), the relative reactivity of the organic carbon in the waste was quantified. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Development and implementation of high-throughput proteomic and metabolomics assays by using advanced chromatographic and mass spectrometric systems (CRADA Final Report)

The mission of this CRADA with Agilent was to couple powerful MS platforms (QQQ, IM-QTOFMS) with Agilent’s novel Ultra-High-Performance Liquid Chromatography (UHPLC) fast metabolomic workflows and perform ABF Machine Learning (ML) to generated datasets. Agilent transferred UHPLC methods to PNNL and LBNL and methods were implemented and demonstrated in both labs, achieving total acquisition times of < 10 min. Metabolites analyzed using Agilent’s shared methods included metabolites from central carbon metabolism, common across hosts, and metabolites unique to engineered strains. Standards were acquired in an UHPLC-Drift Tube Ion Mobility Mass Spectrometer (DTIMS) system for the first time within the context of ABF and methods were optimized based on Agilent’s protocols. Samples from ABF hosts Pseudomonas putida, Aspergillus pseudoterreus, Aspergillus niger and Rhodosporidium toruloides were analyzed using the UHPLC-DTIMS platform for a total of 276 runs. A data analysis workflow compatible with the Experimental Data Depot (EDD) and completely shareable was developed for the acquired UHPLC-DTIMS data. Samples were analyzed using a Data Independent Acquisition Approach (DIA), which for most of the standards provided more transitions therefore increasing detection confidence. Using the data acquired by PNNL, LBNL, and Agilent’s specifications from previous ML projects, SNL applied an ensemble ML strategy to pick the best performing model for automated LC-method selection. Finally, with the contribution of the participant labs and Agilent, SNL developed an Automated Method Selection (AMS) software tool to predict the best liquid chromatography method for analysis of any new molecules of interest. Samples with novel pathways and new metabolite targets of interest are generated at a high pace in the ABF. Overall, the project advanced rapid metabolomics by combining liquid chromatography, ion mobility spectrometry, and data-independent mass spectrometry with machine learning. This multidimensional approach uses retention time, collision cross-section, precursor mass, and fragment-ion information to distinguish chemically similar metabolites that can be difficult to resolve using conventional liquid- or gas-chromatography methods. The resulting workflow also provided automated metabolite-identification error estimates, addressing a recognized need for statistical confidence measures in metabolomics.

Petzold, Christopher [Lawrence Berkeley National L↗
NASA NTRS1994

Volcano morphometry and volume scaling on Venus

A broad variety of volcanic edifices have been observed on Venus. They ranged in size from the limits of resolution of the Magellan SAR (i.e., hundreds of meters) to landforms over 500 km in basal diameter. One of the key questions pertaining to volcanism on Venus concerns the volume eruption rate or VER, which is linked to crustal productivity over time. While less than 3 percent of the surface area of Venus is manifested as discrete edifices larger than 50 km in diameter, a substantial component of the total crustal volume of the planet over the past 0.5 Ga is related to isolated volcanoes, which are certainly more easily studied than the relatively diffusely defined plains volcanic flow units. Thus, we have focused our efforts on constraining the volume productivity of major volcanic edifices larger than 100 km in basal diameter. Our approach takes advantage of the topographic data returned by Magellan, as well as our database of morphometric statistics for the 20 best known lava shields of Iceland, plus Mauna Loa of Hawaii. As part of this investigation, we have quantified the detailed morphometry of nearly 50 intermediate to large scale edifices, with particular attention to their shape systematics. We found that a set of venusian edifices which include Maat, Sapas, Tepev, Sif, Gula, a feature at 46 deg S, 215 deg E, as well as the shield-like structure at 10 deg N, 275 deg E are broadly representative of the approx. 400 volcanic landforms larger than 50 km. The cross-sectional shapes of these 7 representative edifices range from flattened cones (i.e., Sif) similar to classic terrestrial lava shields such as Mauna Loa and Skjaldbreidur, to rather dome-like structures which include Maat and Sapas. The majority of these larger volcanoes surveyed as part of our study displayed cross-sectional topographies with paraboloidal shaped, in sharp contrast with the cone-like appearance of most simple terrestrial lava shields. In order to more fully explore the differences between large venusian edifices and volcanoes on the Earth and Mars, we developed a volume scaling algorithm which relies on conservation of volcano morphometry as basal diameter is varied.

Garvin, J. B.↗
NASA NTRS1972

Fatigue experience from tests carried out with forged beam and frame structures in the development of the Saab aircraft Viggen

A part of the lower side of the main wing at the joint of the main spar with the fuselage frame was investigated. This wing beam area was simulated by a test specimen consisting of a spar boom of AZ 74 forging (7075 aluminum alloy modified with 0.3 percent Ag) and a portion of a honeycomb sandwich panel attached to the boom flange with steel bolts. The cross section was reduced to half scale. However, the flange thickness, the panel height, and the bolt size were full scale. Further, left and right portions of the fuselage frame intended to carry over the bending moment of the main wing were tested. Each of these frame halves consisted of a forward and a rear forging (7079 aluminum alloy, overaged) connected by an outer and inner skin (Alclad 7075) creating a box beam. These test specimens were full scale and were constructed principally of ordinary aircraft components. The test load spectrum was common to both types of specimens with regard to percentage levels. It consisted of maneuver and gust loads, touchdown loads, and loads due to ground roughness. A load history of 200 hours of flight with 15,000 load cycles was punched on a tape. The loads were randomized in groups according to the flight-by-flight principle. The highest positive load level was 90 percent of limit load and the largest negative load was -27 percent. A total of 20 load levels were used. Both types of specimens were provided with strain gages and had a nominal stress of about 300 MN/sq m in some local areas. As a result of the tests, steps were taken to reduce the risk of fatigue damage in aircraft. Thus stress levels were lowered, radii were increased, and demands on surface finish were sharpened.

Larsson, S. E.↗
DOE OSTI2022

A High-Throughput Computing Infrastructure to Generate Custom, Open Community Geothermal Datasets

The most significant challenge facing geothermal research, development, and deployment is a lack of comprehensive datasets describing the geological and economical properties of North America. Automated knowledge base construction, the process of designing algorithms to analyze text and images to programmatically build new datasets, is one possible solution to this problem. The xDD library of full-text scientific articles (https://xdd.wisc.edu) is one of the largest collections of open and controlled-access scientific documents available for knowledge base construction in the world, but it has been underutilized by experts in geothermal research. The xDD development team attributed the lack of engagement by software developers and geothermal researchers to two perceived shortcomings of the system. First, the workflow for obtaining data from xDD for local development and testing of data mining applications was unnecessarily abstruse and required significant manual intervention by xDD systems administrators. Second, although xDD already held articles from a broad cross-section of scientific literature with an emphasis on the geosciences, it did not have an explicit set of geothermal research documents that could serve as the nucleus of a geothermal data mining application. To address these issues, the Automated Data Extraction PlaTform (ADEPT) was proposed to extend the data distribution capabilities of the xDD system. The ADEPT extension added the following four key features to xDD: 1) integration of National Geothermal Data System (NGDS) documents into the xDD library to provide an explicitly geothermally-themed collection; 2) improved RESTful (i.e., https-protocol driven) web services for external partners to access xDD data for machine learning application development; 3) a web platform for end-users and xDD administrators to coordinate the development of data mining applications from the initial step of browsing available documents to the final stage of deploying a production-quality machine learning application on high-throughput computing infrastructure; and 4) the development of demonstration data mining applications to illustrate the new workflow to potential collaborators. A total of 21,674 geothermal documents from NGDS were fully ingested into the xDD library and the associated metadata is publicly available through the xDD web services; furthermore, the ADEPT web platform is now publicly accessible and fully live at https://xdd.wisc.edu/adept/.

15 GEOTHERMAL ENERGY↗
NASA NTRS2019

Planetary Boundary Layer Height from AIRS, MERRA-2, and GPS Radio Occultation Data Products at NASA GES DISC, and Insights from Their Profiles Intercomparison

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) provides archive and distribution services for several data products in the Planetary Boundary Layer (PBL) category. As a new variable added to the Atmospheric Infrared Sounder (AIRS) Version 6 support product, the PBL height from AIRS is derived based on the gradients of the retrieved relative humidity profile, and provides the atmospheric pressure at the top of the PBL over the ocean. The GES DISC also hosts the Modern-Era Retrospective analysis for Research and Applications-2 (MERRA-2) product generated by the Goddard Earth Observing System Model Version 5 (GEOS-5) data assimilation system. The PBL height from MERRA-2 is based on the total eddy diffusion coefficient of heat. The monthly PBL height has been made available in the Giovanni system (Giovanni is a Web-based application developed by the GES DISC providing a simple and intuitive way to visualize, analyze, and access vast amounts of Earth science remote sensing data). Recently, the GES DISC began serving the global PBL height climatology product derived from the COSMIC/FORMOSAT-3 and TerraSAR-X Global Positioning System (GPS) radio occultation (RO) measurements from June 2006 to December 2015. In a previous study, we presented the monthly PBL height data from AIRS and MERRA-2 and demonstrated the GES DISC services which support data intercomparison, such as access, plotting, sub-setting, regridding, and generation of a multi-year monthly mean. We also provided intercomparison results, and found that different PBL height definitions contributed to significant differences of PBL height values between AIRS and MERRA-2. In this work, we present the 10-year seasonal climatologies from the AIRS, MERRA-2 and GPS-RO. We also used the cross section and vertical profile services in Giovanni to display and analyze the vertical atmosphere structure over regions where the PBL height derived from the AIRS and MERRA-2 are quite different. The examination of the AIRS and MERRA-2 three-dimensional data found that the relative humidity profiles had larger differences than the temperature profiles. The MERRA-2 gives more details than the AIRS for the vertical distribution of the humidity.

Ding, Feng↗
NASA NTRS2019

Design of a Nozzle for the Spyder 2nd Stage Solid Rocket Motor

During the 2019 summer term, the author worked with a group of four interns to complete the preliminary design of a 2nd stage solid rocket motor for Up Aerospace’s Spyder Launch Vehicle. The Spyder vehicle is a four stage, solid fuel rocket designed as part of collaboration between NASA and Up Aerospace to develop a vehicle capable of delivering a 10 kg, 6U CubeSat into a 350 km, circular, low Earth orbit. As part of the agreement, NASA is tasked with designing high performance 2nd, 3rd, and 4th stages while Up Aerospace will provide the 1st stage, derived from the first stage of the company’s sub-orbital Spaceloft XL vehicle. Previous intern teams have designed the 3rd and 4th stages, which left the preliminary design of the 2nd stage motor to be completed this summer. The purpose of this report is to highlight a trade study which the author conducted to determine the nozzle geometry which would most benefit the performance of the 2nd stage motor. In this study, various nozzle parameters such as throat radius (RSI), expansion ratio, mass and their effects on the Isp and Delta V of the 2nd Stage were investigated. From this study, a nozzle geometry providing the necessary performance was chosen and implemented as part of the preliminary design of the 2nd stage motor. To mature the 2nd stage motor design, a trade space was needed to determine the nozzle configuration which would most benefit the performance of the 2nd stage. The trade space established did not only evaluate different expansion ratios for the same throat radius, but also investigated the possible performance gained from decreasing the throat radius to increase the expansion ratio and Isp capable of being delivered by the nozzle. Decreasing the throat radius would cause the chamber pressure to increase, consequently increasing the case and insulation mass required to safely operate a motor at higher pressures. To account for this factor, accurate estimates of inert mass first needed to be established. After doing so, the effects of varying nozzle expansion ratios, exit half angles, and subsequently length and mass were evaluated against motor and nozzle performance factors such as delta V and Isp. For this study, four throat radii ranging from 1.75” to 2.375” and consequently four different chamber pressures ranging 550 psia to 1200 psia were investigated. BACKGROUND To launch into Low Earth Orbit, a payload needs to be accelerated to the orbital velocity necessary to keep it from falling back to Earth. The change in velocity required between launch and orbital insertion is known as Delta V. The Delta V which a rocket or stage can deliver can be calculated using the Ideal Rocket equation, 𝛥𝑉=−𝑔0∗𝐼𝑠𝑝∗ln(𝑀𝑓𝑀𝑖) (3) Where 𝑔0 is the acceleration due to gravity at the earth’s surface, 𝐼𝑠𝑝 is the specific impulse of the rocket, 𝑀𝑖 is the initial mass of the rocket, and 𝑀𝑓 is the final mass of the rocket after burnout. From preliminary calculations beyond the scope of this paper, it was determined that 30500 ft/s of delta V would be required for a payload to be inserted into a 350 km circular orbit around the Earth. Using the known masses and Isp values of the 1st, 3rd, and 4th stages and equation 3, the delta V of each stage was calculated. The delta V required by the 2nd stage could then be found by taking the difference between the total delta V required and the delta V of the 1st, 3rd, and 4th stages. From this, the required delta V of the 2nd Stage was calculated to be 7340 ft/s. Specific impulse is an efficiency factor of the nozzle which defines the impulse delivered by the motor per unit of propellant weight. The main variables of a nozzle’s specific impulse investigated in this trade were exit cone half angle, throat radius, and expansion ratio which is affected by the throat radius. The expansion ratio, ε, of a nozzle is defined as the ratio between the nozzle exit area and throat area, and can be calculated using the equation, ε=𝑅𝑒𝑥𝑖𝑡2𝑅𝑠𝑖2 (2) Where 𝑅𝑒𝑥𝑖𝑡 is the radius of the nozzle’s exit and 𝑅𝑠𝑖 is the radius of the nozzle’s throat. A larger expansion ratio and smaller exit half angle will increase the Isp of a nozzle by allowing the gas to expand more and by allowing more of the exhaust gas to produce thrust in the direction of the motor’s central axis. A cross section view of the 2nd Stage motor with the major components annotated is provided in figure 1.

Bennett, Daniel↗
DOE OSTI2024

High-resolution ion mobility based on traveling wave structures for lossless ion manipulation resolves hidden lipid features

Abstract High-resolution ion mobility (resolving power > 200) coupled with mass spectrometry (MS) is a powerful analytical tool for resolving isobars and isomers in complex samples. High-resolution ion mobility is capable of discerning additional structurally distinct features, which are not observed with conventional resolving power ion mobility (IM, resolving power ~ 50) techniques such as traveling wave IM and drift tube ion mobility (DTIM). DTIM in particular is considered to be the “gold standard” IM technique since collision cross section (CCS) values are directly obtained through a first-principles relationship, whereas traveling wave IM techniques require an additional calibration strategy to determine accurate CCS values. In this study, we aim to evaluate the separation capabilities of a traveling wave ion mobility structures for lossless ion manipulation platform integrated with mass spectrometry analysis (SLIM IM-MS) for both lipid isomer standards and complex lipid samples. A cross-platform investigation of seven subclass-specific lipid extracts examined by both DTIM-MS and SLIM IM-MS showed additional features were observed for all lipid extracts when examined under high resolving power IM conditions, with the number of CCS-aligned features that resolve into additional peaks from DTIM-MS to SLIM IM-MS analysis varying between 5 and 50%, depending on the specific lipid sub-class investigated. Lipid CCS values are obtained from SLIM IM ( TW(SLIM) CCS) through a two-step calibration procedure to align these measurements to within 2% average bias to reference values obtained via DTIM ( DT CCS). A total of 225 lipid features from seven lipid extracts are subsequently identified in the high resolving power IM analysis by a combination of accurate mass-to-charge, CCS, retention time, and linear mobility-mass correlations to curate a high-resolution IM lipid structural atlas. These results emphasize the high isomeric complexity present in lipidomic samples and underscore the need for multiple analytical stages of separation operated at high resolution. Graphical abstract

Reardon, Allison R. (ORCID:0000000165830134)↗
DOE OSTI2020

Automated pipeline framework for processing of large-scale building energy time series data

Commercial buildings account for one third of the total electricity consumption in the United States and a significant amount of this energy is wasted. Therefore, there is a need for “virtual” energy audits, to identify energy inefficiencies and their associated savings opportunities using methods that can be non-intrusive and automated for application to large populations of buildings. Here we demonstrate virtual energy audits applied to large populations of buildings’ time-series smart-meter data using a systematic approach and a fully automated Building Energy Analytics (BEA) Pipeline that unifies, cleans, stores and analyzes building energy datasets in a non-relational data warehouse for efficient insights and results. This BEA pipeline is based on a custom compute job scheduler for a high performance computing cluster to enable parallel processing of Slurm jobs. Within the analytics pipeline, we introduced a data qualification tool that enhances data quality by fixing common errors, while also detecting abnormalities in a building’s daily operation using hierarchical clustering. We analyze the HVAC scheduling of a population of 816 buildings, using this analytics pipeline, as part of a cross-sectional study. With our approach, this sample of 816 buildings is improved in data quality and is efficiently analyzed in 34 minutes, which is 85 times faster than the time taken by a sequential processing. The analytical results for the HVAC operational hours of these buildings show that among 10 building use types, food sales buildings with 17.75 hours of daily HVAC cooling operation are decent targets for HVAC savings. Overall, this analytics pipeline enables the identification of statistically significant results from population based studies of large numbers of building energy time-series datasets with robust results. These types of BEA studies can explore numerous factors impacting building energy efficiency and virtual building energy audits. This approach enables a new generation of data-driven buildings energy analysis at scale.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Transmission Electron Microscopy (TEM) Sample Preparation of Si(1-x)Gex in c-Plane Sapphire Substrate

The National Aeronautics and Space Administration-invented X-ray diffraction (XRD) methods, including the total defect density measurement method and the spatial wafer mapping method, have confirmed super hetero epitaxy growth for rhombohedral single crystalline silicon germanium (Si1-xGex) on a c-plane sapphire substrate. However, the XRD method cannot observe the surface morphology or roughness because of the method s limited resolution. Therefore the authors used transmission electron microscopy (TEM) with samples prepared in two ways, the focused ion beam (FIB) method and the tripod method to study the structure between Si1-xGex and sapphire substrate and Si1?xGex itself. The sample preparation for TEM should be as fast as possible so that the sample should contain few or no artifacts induced by the preparation. The standard sample preparation method of mechanical polishing often requires a relatively long ion milling time (several hours), which increases the probability of inducing defects into the sample. The TEM sampling of the Si1-xGex on sapphire is also difficult because of the sapphire s high hardness and mechanical instability. The FIB method and the tripod method eliminate both problems when performing a cross-section TEM sampling of Si1-xGex on c-plane sapphire, which shows the surface morphology, the interface between film and substrate, and the crystal structure of the film. This paper explains the FIB sampling method and the tripod sampling method, and why sampling Si1-xGex, on a sapphire substrate with TEM, is necessary.

Kim, Hyun Jung↗
DOE OSTI2020

Neutronic Consideration of TREAT Facility Fuel SiC Recladding

The Transient Reactor Test (TREAT) Facility is an air-cooled reactor composed of graphite-urania fuel encapsulated in zirconium alloy canisters and surrounded by ~2 ft (~61 cm) of nuclear grade graphite. The primary role of TREAT is to provide in-pile nuclear-heated safety research via transient testing [1]. Benchmark efforts have demonstrated sensitivity of TREAT neutronics models to graphite cross section data and key neutron poisons found in the fuel assemblies [2]. During fabrication of TREAT fuel assemblies, a small concentration of boron was inadvertently introduced with variable concentration into the aggregate of fuel blocks prepared for TREAT use. The concentration of boron, and its respective uncertainty, represent the most sensitive component in a neutronics study; unfortunately, nothing can be done to reduce or otherwise mitigate its impact. Hydrogen in the fuel blocks reduces the mean free path of the core and its true quantity and uncertainty is approximated. The hydrogen remains from pitch binder used in the fuel fabrication process and was not completely released due to incomplete fuel graphitization. Destructive fuel testing is necessary to quantify the actual hydrogen content and to improve benchmark model quality. A third neutron poison of some significance is the hafnium impurity in the Zircaloy-3 (Zry-3) assembly cladding. The quantity of hafnium is expected to be within nominal manufacturing limits for nuclear grade zircaloy. Recladding the fuel assemblies with material that is less neutron absorbing is expected to benefit reactor neutron economy. Moreover, TREAT’s total transient energy is restricted based on the rate of Zry-3 oxidation in TREAT’s air coolant environment. Hence, cladding with more benign air reaction kinetics could dramatically uprate the facility’s experimental capability. Silicon carbide (SiC) has been proposed as a candidate material for recladding TREAT assemblies, as SiC/SiC demonstrate favorable properties within nuclear environments [3]. The current operational limits of TREAT are restricted by the oxidation of Zry-3. Change of the cladding to SiC could feasibly double the current temperature limitation. Recladding opportunities allow for previously damaged fuel assemblies to be returned to service, as Zry-3 is not commercially available. The initial effort required to consider proceeding with any recladding effort is to neutronically characterize key reactor parameters while replacing Zry-3 with SiC. A characterization summary, with respective results, is provided herein.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Algorithms for coordinate reconstruction in position-sensitive virtual Frisch-grid detectors

Arrays of position-sensitive virtual Frisch-grid (VFG) CdZnTe (CZT) detectors provide a cost-effective solution for integrating large-area arrays for gamma-ray imaging and spectroscopy. These detectors employ high-aspect ratio CZT crystals (bars) with thicknesses up to 50 mm and cross-sections of up to 10 × 10 mm 2 . Despite the long drift distances of charge carriers in such crystals, the detectors have demonstrated excellent performance, achieving energy resolutions better than 1 % full width at half maximum (FWHM) at 662 keV and 3D position resolutions finer than 1 mm. The high spatial resolution is a critical feature of these detectors, as it enables correction of response non-uniformities caused by crystal defects, which remain present even in the highest-quality CZT material. Dislocations and dislocation walls are the primary defects responsible for variations in charge carrier losses as they drift from the interaction points toward the charge-collecting electrodes. The mechanism by which these defects affect carrier transport is generally well understood. Dislocations and sub-grain boundaries act as sinks for carrier-trapping centers, primarily impurities and secondary phases such as tellurium inclusions and precipitates. Here, these regions exhibit significantly higher carrier-trapping rates, leading to variations in the μτ-products. Because the locations of these micron-sized regions are fixed within the detector volume, fluctuations in the total collected charge arise from the random distribution of interaction sites. This results in non-uniform detector responses and degradation of energy resolution. However, by measuring the interaction-site locations with sufficient precision, charge-loss variations can be accurately corrected, allowing recovery of nearly intrinsic energy resolution.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Design and Development of Novel Equiatomic Refractory Multi Principal elemental Alloys Based on MoNbTi System for Use in Irradiation Environments

Multi Principal Elemental Alloys (MPEA) have emerged as promising materials for next-generation nuclear reactors due to their exceptional irradiation resistance. Eight equiatomic MPEA based on the MoNbTi system, comprising of elements with low thermal neutron absorption cross-sections were explored using a combined approach employing empirical parameter estimations, and CALPHAD simulations by which the phases and elemental segregation observed in all the alloys in the as-cast state were predicted. Solution heat treatment at 1500°C transformed five alloys into single-phase matrix materials, enhancing homogeneity and reducing hardness. The densities of the alloys ranged between 6.47 to 7.68 g/cm3, hardness between 472 and 656 VHN, Young’s modulus between 142 GPa to 169 GPa, shear modulus between 54 GPa and 62 GPa, bulk modulus between 117 GPa to 194 GPa and Poisson’s ratio between 0.3 to 0.35. The in-situ high temperature Xray diffraction results, differential scanning calorimetry and dilatometry results up to 1000°C suggested the high temperature phase stability of the MPEA. Subsequent ageing heat treatment at 800 and 1000 oC for 96 hours revealed significant secondary phase precipitation in MoNbTiZr, MoNbTiZrV, and MoNbTiCrA. Oxidation studies at 800 oC for 24 hours in air revealed superior oxidation resistance and cubic rate law dependence in Cr containing MPEA especially in MoNbTiCrAl, while severe mass gain resulting in total disintegration and exfoliation in MoNbTiZr and MoNbTiZrV. This comprehensive study underscores the potential of novel MPEA as promising materials for advanced nuclear reactor applications, shedding light on their microstructural control, mechanical properties, thermal stability, and oxidation resistance.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1949

Performance of Single-Stage Turbine of Mark 25 Torpedo Power Plant with Two Nozzles and Three Rotor-Blade Designs

A single-stage modification of the turbine from a Mark 25 torpedo power plant was investigated to determine the performance with two nozzles and three rotor-blade designs. The performance was evaluated in terms of brake, rotor, and blade efficiencies at pressure ratios of 8, 15 (design), and 20. The blade efficiencies with the two nozzles are compared with those obtained with four other nozzles previously investigated with the same three rotor-blade designs. Blade efficiency with the cast nozzle of rectangular cross section (J) was higher than that with the circular reamed nozzle (K) at all speeds and pressure ratios with a rotor having a 0.45-inch 17 degree-inlet-angle blades. The efficiencies for both these nozzles were generally low compared with those of the four other nozzles previously investigated in combination with this rotor. At pressure ratios of 15 and 20, the blade efficiencies with nozzle K and the two rotors with 0.40-inch blades having different inlet angles were higher than with the four other nozzles, but the efficiency with nozzle J was generally low. Increasing the blade inlet angle from 17 degrees to 20 degrees had little effect on turbine performance, whereas changing the blade length from 0.40 to 0.45 inch had a marked effect. Although a slight correlation of efficiency with nozzle size was noted for the rotor with 0.45-inch 17 degree-inlet-angle blades, no such effect was discernible ,for the two rotors with 0.40-inch blades.Losses in the supersonic air stream resulting from the complex flow path in the small air passages are probably a large percentage of the total losses, and apparently the effects of changing nozzle size and shape within the limits investigated are of secondary importance.

Schum, Harold J.↗