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DOE OSTI2022

CondiDiag1.0: a flexible online diagnostic tool for conditional sampling and budget analysis in the E3SM atmosphere model (EAM)

Abstract. Numerical models used in weather and climate prediction take into account a comprehensive set of atmospheric processes (i.e., phenomena) such as the resolved and unresolved fluid dynamics, radiative transfer, cloud and aerosol life cycles, and mass or energy exchanges with the Earth's surface. In order to identify model deficiencies and improve predictive skills, it is important to obtain process-level understanding of the interactions between different processes. Conditional sampling and budget analysis are powerful tools for process-oriented model evaluation, but they often require tedious ad hoc coding and large amounts of instantaneous model output, resulting in inefficient use of human and computing resources. This paper presents an online diagnostic tool that addresses this challenge by monitoring model variables in a generic manner as they evolve within the time integration cycle. The tool is convenient to use. It allows users to select sampling conditions and specify monitored variables at run time. Both the evolving values of the model variables and their increments caused by different atmospheric processes can be monitored and archived. Online calculation of vertical integrals is also supported. Multiple sampling conditions can be monitored in a single simulation in combination with unconditional sampling. The paper explains in detail the design and implementation of the tool in the Energy Exascale Earth System Model (E3SM) version 1. The usage is demonstrated through three examples: a global budget analysis of dust aerosol mass concentration, a composite analysis of sea salt emission and its dependency on surface wind speed, and a conditionally sampled relative humidity budget. The tool is expected to be easily portable to closely related atmospheric models that use the same or similar data structures and time integration methods.

58 GEOSCIENCES↗

NASA NTRSDate not supplied

Lessons Learned From Designing and Building Low Organic Outgassing Cleanrooms for NASA OSIRIS-REx and Hayabusa2 Curation Facility

NASA Johnson Space Center Astromaterials Acquisition and Curation Office completed construction and commissioning of the OSIRIS-REx and Hayabusa2 cleanroom laboratory suites along with new precision cleaning and advanced curation laboratories consisting of ISO Class 5, 6, and 7 cleanrooms. The new curation facilities are designed for initial receiving, basic characterization, curation processing, and preliminary examination of carbonaceous asteroidal material. The facilities are also designed to enable long-term pristine sample storage to preserve the scientific integrity of each sample to enable future research by the international science community. The scientific study of organics is critical for both missions. The OSIRIS-REx mission instituted a stringent contamination control plan for low organics. Given these mission requirements and long-term storage preservation requirements, cleanroom construction materials were carefully selected to not hinder the scientific search for amino acids and the study of organics in the samples. Cleanroom candidate construction materials were researched for the HVAC system, floors, walls, ceiling, and plenum areas. The team chose several candidate materials that were further tested for their specific outgassing characteristics using ASTM E-595 per ASTM E-2312. The information gained provided the foundation for the final design selection of the cleanroom materials. While material selection is important before and during the facility design phase, the construction phase is where these choices are implemented by the prime construction contractor through final product and material submittals. These submittals are the last check point and changes are often submitted due to engineering/construction conflicts, especially when renovating an existing building. Any new material or equipment/product change must be identified and scrutinized for low particulate shedding and outgassing properties. In some cases, quick testing of new material is required, and compromises must be made in real-time. Careful selection and implementation of cleanroom materials significantly reduced organic and inorganic contamination beyond normal cleanroom baselines.

astromaterials curation↗

NASA NTRSDate not supplied

Lessons Learned From Designing and Building Low Organic Outgassing Cleanrooms for NASA OSIRIS-REx and Hayabusa2 Curation Facility

astromaterials curation↗

DOE OSTI2016

YOUNG STELLAR POPULATIONS IN MYStIX STAR-FORMING REGIONS: CANDIDATE PROTOSTARS

The Massive Young Star-Forming Complex in Infrared and X-ray (MYStIX) project provides a new census on stellar members of massive star-forming regions within 4 kpc. Here the MYStIX Infrared Excess catalog and Chandra -based X-ray photometric catalogs are mined to obtain high-quality samples of Class I protostars using criteria designed to reduce extragalactic and Galactic field star contamination. A total of 1109 MYStIX Candidate Protostars (MCPs) are found in 14 star-forming regions. Most are selected from protoplanetary disk infrared excess emission, but 20% are found from their ultrahard X-ray spectra from heavily absorbed magnetospheric flare emission. Two-thirds of the MCP sample is newly reported here. The resulting samples are strongly spatially associated with molecular cores and filaments on Herschel far-infrared maps. This spatial agreement and other evidence indicate that the MCP sample has high reliability with relatively few “false positives” from contaminating populations. But the limited sensitivity and sparse overlap among the infrared and X-ray subsamples indicate that the sample is very incomplete with many “false negatives.” Maps, tables, and source descriptions are provided to guide further study of star formation in these regions. In particular, the nature of ultrahard X-ray protostellar candidates without known infrared counterparts needs to be elucidated.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

The Development of Catalysts for Upgrading of Pyrolysis Vapor for Refinery Feedstocks and Intermediates: Cooperative Research and Development, CRADA Number CRD-12-00497 (Final Report)

Fast pyrolysis of biomass with vapor phase upgrading (VPU) can produce refinery feedstocks or intermediates that can meet the Department of Energy’s goal of cost-competitive hydrocarbon fuels by 2017. A key technical barrier for this technology is the lack of selective, cost effective catalysts that can produce high yields of fuel-appropriate hydrocarbons from the pyrolysis vapors. In overcoming this barrier, it will be important to engage leading catalyst development companies to devote their resources and expertise to the development of these materials. Thus, we propose a Cooperative Research and Development Agreement (CRADA) between the National Renewable Energy Laboratory (NREL), a world leader in biomass pyrolysis research and Johnson Matthey (JM), a world leader in the production of advanced catalyst materials to develop and test novel catalysts for efficient VPU. Through its Intercat Inc. subsidiary in Savannah, Ga., Johnson Matthey is internationally recognized as a leader in zeolite-based vapor phase upgrading in refinery duties and an emerging developer of biomass conversion technologies. The research and development efforts described in the proposed work will build upon existing collaborations between NREL and JM and play to the strengths of both institutions. NREL will analyze the composition of pyrolysis vapors as an input to catalyst design, screen and test catalysts, characterize the resulting oil and conduct techno-economic analysis. Catalyst samples will be produced and funded by JM. JM will design and synthesize catalysts, characterize fresh and used catalysts and develop catalyst supports needed to achieve commercially meaningful lifetimes. The project will span catalyst development and testing from the fundamental stage using quantum mechanical modeling and chemical reaction analysis to catalyst screening to integrated pilot studies.

09 BIOMASS FUELS↗

DOE OSTI2022

Challenges in Bioinformatics Workflows for Processing Microbiome Omics Data at Scale

The nascent field of microbiome science is transitioning from a descriptive approach of cataloging taxa and functions present in an environment to applying multi-omics methods to investigate microbiome dynamics and function. A large number of new tools and algorithms have been designed and used for very specific purposes on samples collected by individual investigators or groups. While these developments have been quite instructive, the ability to compare microbiome data generated by many groups of researchers is impeded by the lack of standardized application of bioinformatics methods. Additionally, there are few examples of broad bioinformatics workflows that can process metagenome, metatranscriptome, metaproteome and metabolomic data at scale, and no central hub that allows processing, or provides varied omics data that are findable, accessible, interoperable and reusable (FAIR). Here, we review some of the challenges that exist in analyzing omics data within the microbiome research sphere, and provide context on how the National Microbiome Data Collaborative has adopted a standardized and open access approach to address such challenges.

NMDC, Microbiome↗

DOE OSTI2024

Rotational Millimeter-Wave Shoe Scanner Using the Discrete Fourier Transform for Backprojection-Based Image Reconstruction

An active 3D microwave / millimeter-wave shoe scanner was previously developed at the Pacific Northwest National Laboratory (PNNL) using two linear arrays scanned over a rectilinear aperture. The radar system chirps a frequency sweep from 10-40 GHz. These frequencies allow imaging through optically opaque material such as leather, rubber, plastics, and other dielectrics. The system was designed to detect concealed items in the soles of shoes while allowing people to leave their shoes on through a security checkpoint. To shrink the footprint of the system, a new iteration of the design has been developed that scans the two linear arrays over a circular aperture. This new footprint opens the possibility of it being installed in the floor of a cylindrical millimeter-wave body scanner. The backprojection-based multilayer dielectric image reconstruction developed at PNNL can easily handle arbitrary spatial sampling, accommodating the new rotational shoe scanner design. Commonly, the fast Fourier transform (FFT) is used to efficiently compute the range response from the data collected by the system as a preprocessing step to the backprojection algorithm. It was found that converting to range using the discrete Fourier transform (DFT) directly has some advantages over the FFT. For example, nonlinear and non-uniform frequency sweeps can easily be compensated for during the computation of the DFT and only the range bins of interest need to be computed and their spacing can be chosen arbitrarily. Because the range conversion step of the image reconstruction is the fastest part of the process there is very little speed penalty for using the DFT over the FFT and it can even increase the speed of image reconstruction when the ranges of interest are fewer than the total span that is calculated in the FFT.

Millimeter-wave imaging, microwave imaging, shoe s↗

DOE OSTI2015

Conditions of steady switching in phase-transition memory cells

Three types of non-volatile memory cells of different designs based on phase transitions are developed and implemented. The effect of the design features of the cells and their active-region sizes on the switching characteristics and normal operation of the cells is considered as a whole. The causes of failure of the cells are analyzed from the obtained series of scanning electron images upon level-by-level etching of the samples. It is shown that the cell design is the most critical factor from the viewpoint of switching to the high-resistance state. The causes of this fact are analyzed and the criterion for providing the steady operation of cells of non-volatile memory based on phase transitions is formulated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1972

A comparison of the capabilities of three finite element programs

Three finite element programs are compared to assess their capabilities as an analysis tool in a structural design process. Because of the need for repetitive analyses as an integral part of a design loop, a candidate program must be capable of handling large problems, operate efficiently, and be readily adaptable for use in computer-aided design. The three programs considered in the study, ELAS,SNAP, and NASTRAN, range from a relatively small finite element program limited to static structural analysis (ELAS) to a large complex general analysis system (NASTRAN). Results are given for comparative speeds and computer resources required for each program in the analysis of sample fuselage problems representative of practical aircraft design.

Loendorf, D. D.↗

NASA NTRS1984

Impact of lunar and planetary missions on the space station: Preliminary STS logistics report

Space station requirements for lunar and planetary missions are discussed. Specific reference is made to projected Ceres and Kopff missions; Titan probes; Saturn and Mercury orbiters; and a Mars sample return mission. Such requirements as base design; station function; program definition; mission scenarios; uncertainties impact; launch manifest and mission schedule; and shuttle loads are considered. It is concluded that: (1) the impact of the planetary missions on the space station is not large when compared to the lunar base; (2) a quarantine module may be desirable for sample returns; (3) the Ceres and Kopff missions require the ability to stack and checkout two-stage OTVs; and (4) two to seven manweeks of on-orbit work are required of the station crew to launch a mission and, with the exception of the quarantine module, dedicated crew will not be required.

Source record↗

NASA NTRS2014

Organic Molecules in the Sheepbed Mudstone, Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument on the Curiosity rover is designed to determine the inventory of organic and inorganic volatiles thermally released from solid samples using a combination of evolved gas analysis (EGA), gas chromatography mass spectrometry (GCMS), and tunable laser spectroscopy. Here we report on various chlorinated hydrocarbons (chloromethanes, chlorobenzene and dichloroalkanes) detected at elevated levels above instrument background at the Cumberland (CB) drill site, and discuss their possible sources.

Freissinet, C.↗

NASA NTRS2014

Origin of Chlorobenzene Detected by the Curiosity Rover in Yellowknife Bay: Evidence for Martian Organics in the Sheepbed Mudstone

The Sample Analysis at Mars (SAM) instrument on the Curiosity rover is designed to determine the inventory of organic and inorganic volatiles thermally evolved from solid samples using a combination of evolved gas analysis (EGA), gas chromatography mass spectrometry (GCMS), and tunable laser spectroscopy. Here we discuss the SAM EGA and GCMS measurements of volatiles released from the Sheepbed mudstone. We focus primarily on the elevated CBZ detections at CB and laboratory analog experiments conducted to help determine if CBZ is derived from primarily terrestrial, martian, or a combination of sources. Here we discuss the SAM EGA and GCMS measurements of volatiles released from the Sheepbed mudstone. We focus primarily on the elevated CBZ detections at CB and laboratory analog experiments conducted to help determine if CBZ is derived from primarily terrestrial, martian, or a combination of sources.

Glavin, D.↗

NASA NTRS2015

Curating NASA's Astromaterials Collections: Past, Present, and Future

Planning for the curation of samples from future sample return missions must begin during the initial planning stages of a mission. Waiting until the samples have been returned to Earth, or even when you begin to physically build the spacecraft is too late. A lack of proper planning could lead to irreversible contamination of the samples, which in turn would compromise the scientific integrity of the mission. For example, even though the Apollo missions first returned samples in 1969, planning for the curation facility began in the early 1960s, and construction of the Lunar Receiving Laboratory was completed in 1967. In addition to designing the receiving facility and laboratory that the samples will be characterized and stored in, there are many aspects of contamination that must be addressed during the planning and building of the spacecraft: planetary protection (both outbound and inbound); cataloging, documenting, and preserving the materials used to build spacecraft (also known as coupons); near real-time monitoring of the environment in which the spacecraft is being built using witness plates for critical aspects of contamination (known as contamination control); and long term monitoring and preservation of the environment in which the spacecraft is being built for most aspects of potential contamination through the use of witness plates (known as contamination knowledge). The OSIRIS REx asteroid sample return mission, currently being built, is dealing with all of these aspects of contamination in order to ensure they return the best preserved sample possible. Coupons and witness plates from OSIRIS REx are currently being studied and stored (for future studies) at the Johnson Space Center. Similarly, planning for the clean room facility at Johnson Space Center to house the OSIRIS-REx samples is well advanced, and construction of the facility should begin in early 2017 (despite a nominal 2023 return date for OSIRIS-REx samples). Similar development is being done, in concert with JAXA, for the return of Hayabusa 2 samples (nominally in 2020). We are also actively developing advanced techniques like cold curation and organically clean curation in anticipation of future sample return missions such as comet nucleus sample return and Mars sample return.

Zeigler, Ryan↗

NASA NTRS2019

Principles from Two Small SRM-Based Launcher Design/Developments

Two solid rocket motor based launch vehicles are in design and development at MSFC, a 4-stage Earth-to-Orbit vehicle cube-satellite launcher, and the 2-stage Mars Ascent Vehicle for the Mars sample return mission. Trade studies that refined these designs have benefited from developments in understanding sensitivities and approximate modeling. The development and practice of that has demonstrated 3 principles: PRINCIPLE I: Identify mission-specific key design drivers — particularly interactions (and focus knowledge-development on those). PRINCIPLE II: Agility — don’t lock down your derived requirements early — keep trading, and characterizing sensitivities. PRINCIPLE III: Use multi-fidelity tools to improve “understanding value generated per modeling effort cost.” The designer should expect different design solution techniques to derive from different mission needs. This paper shows how two launch vehicle designs developed and adapted to those needs.

Kibbey, Timothy P.↗

DOE OSTI2013

A (S)TEM Gas Cell Holder with Localized Laser Heating for In Situ Experiments

The advent of aberration correction for transmission electron microscopy has transformed atomic resolution imaging into a nearly routine technique for structural analysis. Now an emerging frontier in electron microscopy is the development of in situ capabilities to observe reactions at atomic resolution in real time and within realistic environments. Here we present a new in situ gas cell holder that is designed for compatibility with a wide variety of sample type (i.e., dimpled 3-mm discs, standard mesh grids, various types of focused ion beam lamellae attached to half grids). Its capabilities include localized heating and precise control of the gas pressure and composition while simultaneously allowing atomic resolution imaging at ambient pressure. The results show that 0.25-nm lattice fringes are directly visible for nanoparticles imaged at ambient pressure with gas path lengths up to 20 μm. Additionally, we quantitatively demonstrate that while the attainable contrast and resolution decrease with increasing pressure and gas path length, resolutions better than 0.2 nm should be accessible at ambient pressure with gas path lengths less than the 15 μm utilized for these experiments.

aberration correction↗

NASA NTRS2010

Assessment of Response Surface Models using Independent Confirmation Point Analysis

This paper highlights various advantages that confirmation-point residuals have over conventional model design-point residuals in assessing the adequacy of a response surface model fitted by regression techniques to a sample of experimental data. Particular advantages are highlighted for the case of design matrices that may be ill-conditioned for a given sample of data. The impact of both aleatory and epistemological uncertainty in response model adequacy assessments is considered.

DeLoach, Richard↗

DOE OSTI2015

Radiological data consolidation and 3D modeling of a building - 15473

A portion of a building at an industrial facility that conducted monazite sands-processing operations in the 1950's under contract to the Atomic Energy Commission (AEC) became contaminated. Subsequently the U.S. Department of Energy designated the facility for remedial action under the Formerly Used Sites Remedial Action Program (FUSRAP). Remedial investigation, remedial actions and post-remediation surveys have been conducted in portions of the building. Radiological data for the interior of the building were compiled, evaluated and presented in a three dimensional (3-D) model (the model) created by AMEC Foster Wheeler in order to identify areas that meet the Record of Decision (ROD) cleanup criteria, and identity areas that may require remedial action or may require additional investigation due to data gaps. The data from different phases of investigation and remediation cover different portions of the building and in some cases overlap. In addition, the data were collected over a period of more than ten years, for different objectives, and thus the instruments and methods for establishing efficiency were not necessarily consistent. The data consolidation process included determining the relative quality of data points to include in the model and the development of rationale associated with assigning a quality level (i.e. ranking) to each data point. The rationale for ranking data quality included, as the primary determining factors, chronological order of the data (most recent was ranked as more reliable), certainty of the sample locations within the building, and analytical data quality. A 3-D model of the building was created using a laser point cloud scan which was then converted into a 3-D design model. Sample locations were then entered into the model and linked with the analytical database to allow display of the radiological results in the model. The visual model allows both strategic and tactical decisions to be made, depending on the level of detail examined. The evaluation process allowed maximum use of the historical data set, rather than requiring older data to be disregarded, and provided at a minimum a qualitative sense of data quality/confidence in the data. The (authors)process also highlights the importance of collecting high quality data from the very beginning with a consistent locational coordinate system, and the need for a good visualization model in order to assess contaminant locations during remedial action or post-remediation surveys.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1981

Systems overview and design methodology

The mission hardware to support a quarantine procedure for a proposed unmanned Mars sample return mission is described. There are several current options for acquiring a sample from the surface of Mars, ranging from a 'grab-and-run', or undocumented, sample return to a fully documented, selected-site, multisample mission. Although the Orbiting Quarantine Facility conceived was designed for one of the more likely mission plans (a documented collection of many subsamples), the facility is suitable for quarantine testing of the sample regardless of how it is acquired on Mars.

Source record↗