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DOE OSTI2021

Building Life-Cycle Analysis with the GREET Building Module: Methodology, Data, and Case Studies

To holistically address building sustainability, Argonne National Laboratory has expanded its Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET) life-cycle model with a new GREET Building Module. This report documents life-cycle analysis (LCA) methodology and foreground data that Argonne National Laboratory compiles and develops to address embodied greenhouse gas (GHG) emissions and energy impacts of a wide range of envelope and structural building materials for new construction and retrofits. The methodology and data form the backbone of the GREET Building Module. This research effort focuses on developing consistent LCA methodology that conforms to building LCA standards such as the EN 15978 to address embodied GHG emissions and energy impacts of building materials/technologies. We document detailed foreground data for selected building materials and building components that are common for building construction. To test the LCA methodology and the GREET Building Module, this report includes case studies of insulation materials and wall panels for residential building retrofit. We have developed a separate document as a User Guide for understanding and applying the GREET Building Module to conduct detailed, process-level LCA of embodied carbon and energy impacts of emerging building materials and technology solutions that of interest to the Building Technologies Office (BTO) of the US Department of Energy, researchers, and industry stakeholders.

42 ENGINEERING↗

DOE OSTI2019

Development of Ambient Mass Spectrometry Rapid Analysis Methods for Trace Inorganics

Ambient mass spectrometry is being investigated as a new method for rapidly characterizing trace inorganic species, including nuclear materials. SRNL is currently developing electrospray ionization (ESI) and paper spray ionization (PSI) methods for mass spectrometry for the detection of trace inorganic compounds JEOL AccuTOF™-DART ® LP 4G mass spectrometer. Sample analysis generates a complex three-dimensional data set with 10 2 -10 3 individual mass spectra spread temporally. To improve the quality and ease of data extraction from this amount of information, a simple data analysis pipeline written in R/R Studio has been improved and expanded upon. Specifically, the software now has header inputs to set base input/output filenames, isotopes of interest, and a list of concentrations analyzed on the instrument. Using list-based structures to enable batch processing of many concentrations at once, it then loads each file, extracts the relevant intensities for masses of interest from each spectrum, and iterates through each concentration to generate graphs of internal standard & analyte correlations, measured isotope ratios, and total ion chromatograms. It then filters the data to remove points at background levels or at the detector saturation limit. Using this filtered data, the pipeline re-creates the graphs to reveal high-quality information from a low-quality raw dataset. All graphs of the R software then output to PowerPoint format. Additionally, faster 3D visualization functionality was added to the pipeline for viewing the entire data file produced by the instrument as an intensity map. With these data analysis tools ready, samples of strontium nitrate/yttrium nitrate as an analyte/internal standard combination were measured on the AccuTOF. From the filtered data, calibration curves were prepared and limits of detection (LOD) of 1 ppb for ESI-MS and 20 ppb for PSI-MS were obtained. The quality available from the calibration curves and the low limits of detection demonstrate the value of the instrument/analysis pipeline system in characterizing trace inorganics.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

Genome organization of the vg1 and nodal3 gene clusters in the allotetraploid frog Xenopus laevis

Extracellular factors belonging to the TGF-β family play pivotal roles in the formation and patterning of germ layers during early Xenopus embryogenesis. Here, we show that the vg1 and nodal3 genes of Xenopus laevis are present in gene clusters on chromosomes XLA1L and XLA3L, respectively, and that both gene clusters have been completely lost from the syntenic S chromosome regions. The presence of gene clusters and chromosome-specific gene loss were confirmed by cDNA FISH analyses. Sequence and expression analyses revealed that paralogous genes in the vg1 and nodal3 clusters on the L chromosomes were also altered compared to their Xenopus tropicalis orthologs. X. laevis vg1 and nodal3 paralogs have potentially become pseudogenes or sub-functionalized genes and are expressed at different levels. As X. tropicalis has a single vg1 gene on chromosome XTR1, the ancestral vg1 gene in X. laevis appears to have been expanded on XLA1L. Of note, two reported vg1 genes, vg1(S20) and vg1(P20), reside in the cluster on XLA1L. The nodal3 gene cluster is also present on X. tropicalis chromosome XTR3, but phylogenetic analysis indicates that nodal3 genes in X. laevis and X. tropicalis were independently expanded and/or evolved in concert within each cluster by gene conversion. Lastly, these findings provide insights into the function and molecular evolution of TGF-β family genes in response to allotetraploidization.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2001

On-Line Mu Method for Robust Flutter Prediction in Expanding a Safe Flight Envelope for an Aircraft Model Under Flight Test

A structured singular value (mu) analysis method of computing flutter margins has robust stability of a linear aeroelastic model with uncertainty operators (Delta). Flight data is used to update the uncertainty operators to accurately account for errors in the computed model and the observed range of aircraft dynamics of the aircraft under test caused by time-varying aircraft parameters, nonlinearities, and flight anomalies, such as test nonrepeatability. This mu-based approach computes predict flutter margins that are worst case with respect to the modeling uncertainty for use in determining when the aircraft is approaching a flutter condition and defining an expanded safe flight envelope for the aircraft that is accepted with more confidence than traditional methods that do not update the analysis algorithm with flight data by introducing mu as a flutter margin parameter that presents several advantages over tracking damping trends as a measure of a tendency to instability from available flight data.

Lind, Richard C.↗

NASA NTRS2004

A Sizing Methodology for the Conceptual Design of Blended-Wing-Body Transports

This paper describes the development of a methodology for sizing Blended-Wing-Body (BWB) transports and how the capabilities of the Flight Optimization System (FLOPS) have been expanded using that methodology. In this approach, BWB transports are sized based on the number of passengers in each class that must fit inside the centerbody or pressurized vessel. Weight estimation equations for this centerbody structure were developed using Finite Element Analysis (FEA). This paper shows how the sizing methodology has been incorporated into FLOPS to enable the design and analysis of BWB transports. Previous versions of FLOPS did not have the ability to accurately represent or analyze BWB configurations in any reliable, logical way. The expanded capabilities allow the design and analysis of a 200 to 450-passenger BWB transport or the analysis of a BWB transport for which the geometry is already known. The modifications to FLOPS resulted in differences of less than 4 percent for the ramp weight of a BWB transport in this range when compared to previous studies performed by NASA and Boeing.

Kimmel, William M.↗

NASA NTRS1974

Earth Observatory Satellite system definition study. Report no. 3: Design/cost tradeoff studies. Appendix A: EOS program WBS dictionary. Appendix B: EOS mission functional analysis

The work breakdown structure (WBS) dictionary for the Earth Observatory Satellite (EOS) is defined. The various elements of the EOS program are examined to include the aggregate of hardware, computer software, services, and data required to develop, produce, test, support, and operate the space vehicle and the companion ground data management system. A functional analysis of the EOS mission is developed. The operations for three typical EOS missions, Delta, Titan, and Shuttle launched are considered. The functions were determined for the top program elements, and the mission operations, function 2.0, was expanded to level one functions. Selection of ten level one functions for further analysis to level two and three functions were based on concern for the EOS operations and associated interfaces.

Source record↗

NASA NTRS1989

Interfacing modules for integrating discipline specific structural mechanics codes

An outline of the organization and capabilities of the Engine Structures Computational Simulator (Simulator) at NASA Lewis Research Center is given. One of the goals of the research at Lewis is to integrate various discipline specific structural mechanics codes into a software system which can be brought to bear effectively on a wide range of engineering problems. This system must possess the qualities of being effective and efficient while still remaining user friendly. The simulator was initially designed for the finite element simulation of gas jet engine components. Currently, the simulator has been restricted to only the analysis of high pressure turbine blades and the accompanying rotor assembly, although the current installation can be expanded for other applications. The simulator presently assists the user throughout its procedures by performing information management tasks, executing external support tasks, organizing analysis modules and executing these modules in the user defined order while maintaining processing continuity.

Endres, Ned M.↗

DOE OSTI2019

Is Robotic-Assisted Surgery Safe in the Elderly Population? An Analysis of Gynecologic Procedures in Patients ≥ 65 Years Old

Background: The elderly population is expanding worldwide but is underrepresented in clinical trials. We sought to assess the safety of robotic gynecologic surgery in an elderly cohort and to identify factors associated with unfavorable outcomes. Methods: All patients ≥ 65 years who underwent a robotically assisted procedure at a single institution between May 2007 to December 2016 were divided into three age groups: 65–74 (Group 1); 75–84 (Group 2); ≥ 85 (Group 3). Perioperative outcomes were recorded in patients who did not require conversion to laparotomy. We compared clinical variables among groups and performed multivariate logistic regression to detect variables associated with major complications (≥ Grade 3) or 90-day mortality. Results: We retrospectively identified 982 cases: 685 in Group 1; 249 in Group 2; 48 in Group 3. Median age = 71 years. Median BMI = 28.9. Malignancy was documented in 72.8% of cases; the majority were endometrial cancer (61.8%). Thirty-four patients (3.5%) were readmitted within 30 days. Seventy-seven (7.8%) had a postoperative complication, and 23 (2.3%) had a major complication. Ninety-day mortality was 0.5%. There was significant difference between groups with respect to body mass index (P = 0.026), ECOG PS (P ≤ 0.001), > 5 comorbidities (P = 0.005), hospital stay (P < 0.001), major complications (P = 0.001), and 90-day mortality (P < 0.001). On multivariable logistic regression, age ≥ 85 years was associated with major complications. Body mass index, age ≥ 85 years, and major complications were significantly associated with 90-day mortality. Conclusions: Robotic-assisted surgery appears to be safe in an elderly cohort. The incidence of overall and major complications is consistent with those reported in the literature. Patients ≥ 85 years old appear to be at higher risk of unfavorable outcomes.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1972

Task 1: Correlation of satellite and ground data in air pollution studies. Task 2: Investigation to relate the chlorophyll and suspended sediment content in the waters of the lower Chesapeake Bay to ERTS-1 imagery. Task 3: The use of ERTS-1 to more fully utilize and apply marine station data to the study of productivity along the Eastern Shelf expanded waters of the United States

The author has identified the following significant results. Analysis of U-2 imagery of CARETS site indicates smoke plumes can be easily detected. First look at selected ERTS-1 color composites demonstrates plumes from forest fires can be detected.

Copeland, G. E.↗

DOE OSTI2018

Effect of oxygen potential on Co solubility limit in La–Co co-substituted magnetoplumbite-type strontium ferrite

Highlights: • Oxygen pressure control dramatically affect the substitution range of La–Co co-substituted Sr M-type hexaferrite. • Successful synthesis of LaFe{sub 11}CoO{sub 19} under high oxygen pressure. • LaFe{sub 11}CoO{sub 19} achieves the highest anisotropic field. - Abstract: La–Co co-substituted magnetoplumbite-type (M-type) strontium ferrite is typically used as a base material for high-performance hard ferrite magnets. Generally, the unquenched orbital moment of Co{sup 2+}, substituted for Fe{sup 3+}, is thought to enhance magnetic anisotropy and then coercivity. La{sup 3+} is substituted for Sr{sup 2+} to compensate for the charge unbalance associated with Co{sup 2+} substitution. Even if the synthesis starts with equal amounts of Co and La, the Co contents of the resulting samples are generally lower than the La contents because of the partial reduction of Fe{sup 3+} to Fe{sup 2+}. We studied how the oxygen potential suppresses the formation of Fe{sup 2+} and expands the Co solubility range in this system. Polycrystalline samples, synthesized under oxygen partial pressures of 0.2, 1.0, and 387 atm, were characterized by powder X-ray diffraction, wavelength-dispersive X-ray analysis, and magnetization measurements. We reveal that the application of higher oxygen pressure dramatically expands the Co solubility range, resulting in the enhancement in magnetic anisotropy. We successfully synthesized Sr-free LaFe{sub 11}CoO{sub 19} with high magnetic anisotropy using the hot isostatic pressure (HIP) technique.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1998

Aerosol analysis techniques and results from micro pulse lidar

The effect of clouds and aerosol on the atmospheric energy balance is a key global change problem. Full knowledge of aerosol distributions is difficult to obtain by passive sensing alone. Aerosol and cloud retrievals in several important areas can be significantly improved with active remote sensing by lidar. Micro Pulse Lidar (MPL) is an aerosol and cloud profilometer that provides a detailed picture of the vertical structure of boundary layer and elevated dust or smoke plume aerosols. MPL is a compact, fully eyesafe, ground-based, zenith pointing instrument capable of full-time, long-term unattended operation at 523 nm. In October of 1993, MPL began taking full-time measurements for the Atmospheric Radiation Measurement (ARM) program at its Southern Great Plains (SGP) site and has since expanded to ARM sites in the Tropical West Pacific (TWP) and the North Slope of Alaska (NSA). Other MPL's are moving out to some of the 60 world-wide Aerosol Robotic Network (AERONET) sites which are already equipped with automatic sun-sky scanning spectral radiometers providing total column optical depth measurements. Twelve additional MPL's have been purchased by NASA to add to the aerosol and cloud database of the EOS ground validation network. The original MPL vertical resolution was 300 meters but the newer versions have a vertical resolution of 30 meters. These expanding data sets offer a significant new resource for atmospheric radiation analysis. Under the direction of Jim Spinhirne, the MPL analysis team at NASA/GSFC has developed instrument correction and backscatter analysis techniques for ARM to detect cloud boundaries and analyze vertical aerosol structures. A summary of MPL applications is found in Hlavka (1997). With the aid of independent total column optical depth instruments such as the Multifilter Rotating Shadowband Radiometer (MFRSR) at the ARM sites or sun photometers at the AERONET sites, the MPL data can be calibrated, and time-resolved vertical profiles of aerosol optical depth as well as aerosol extinction can be calculated. The techniques used to calibrate the lidar, calculate the aerosol extinction-to-backscatter ratio, and produce profiles of aerosol extinction and aerosol optical depths, will be described. Results using these techniques will be presented for case studies at the ARM site in the Tropical West Pacific and later in the Southern Great Plains.

Hlavka, Dennis L.↗

NASA NTRS1986

NASTRAN interfacing modules within the Integrated Analysis Capability (IAC) Program

The IAC program provides the framework required for the development of an extensive multidisciplinary analysis capability. Several NASTRAN related capabilities were developed which can all be expanded in a routine manner to meet in-house unique needs. Plans are to complete the work discussed herein and to provide it to the engineering community through COSMIC. Release is to be after the current IAC Level 2 contract work on the IAC executive system is completed and meshed with the interfacing modules and analysis capabilities under development at the GSFC.

Frisch, H. P.↗

DOE OSTI2024

In situ Synchrotron X‐ray Metrology Boosted by Automated Data Analysis for Real‐time Monitoring of Cathode Calcination

Abstract Synchrotron X‐ray‐based in situ metrology is advantageous for monitoring the synthesis of battery materials, offering high throughput, high spatial and temporal resolution, and chemical sensitivity. However, the rapid generation of massive data poses a challenge to on‐site, on‐the‐fly analysis needed for real‐time process monitoring. Here, a weighted lagged cross‐correlation (WLCC) similarity approach is presented for automated data analysis, which merges with in situ synchrotron X‐ray diffraction metrology to monitor the calcination process of the archetypal nickel‐based cathode, LiNiO 2 . The WLCC approach, incorporating variables that account for peak shifts and width changes associated with structural transformations, enables rapid extraction of phase progression within 10 seconds from tens of diffraction patterns. Details are captured, from initial precursors to intermediates and the final layered LiNiO 2 , providing information for agile on‐site adjustments during experiments and complementing post hoc diffraction analysis by offering insights into early‐stage phase nucleation and growth. Expanding this data‐powered platform paves the way for real time calcination process monitoring and control, which is pivotal to quality control in battery cathode manufacturing.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Nuclear Radiation Fields on the Mars Surface: Risk Analysis for Long-term Living Environment

Mars, our nearest planet outward from the sun, has been targeted for several decades as a prospective site for expanded human habitation. Background space radiation exposures on Mars are expected to be orders of magnitude higher than on Earth. Recent risk analysis procedures based on detailed dosimetric techniques applicable to sensitive human organs have been developed along with experimental data regarding cell mutation rates resulting from exposures to a broad range of particle types and energy spectra. In this context, simulated exposure and subsequent risk for humans in residence on Mars are examined. A conceptual habitat structure, CAD-modeled with duly considered inherent shielding properties, has been implemented. Body self-shielding is evaluated using NASA standard computerized male and female models. The background environment is taken to consist not only of exposure from incident cosmic ray ions and their secondaries, but also include the contribution from secondary neutron fields produced in the tenuous atmosphere and the underlying regolith.

Brooke M Anderson↗

DOE OSTI2023

Genome-scale metabolic reconstruction of 7,302 human microorganisms for personalized medicine

The human microbiome influences the efficacy and safety of a wide variety of commonly prescribed drugs. Designing precision medicine approaches that incorporate microbial metabolism would require strain- and molecule-resolved, scalable computational modeling. Here, we extend our previous resource of genome-scale metabolic reconstructions of human gut microorganisms with a greatly expanded version. AGORA2 (assembly of gut organisms through reconstruction and analysis, version 2) accounts for 7,302 strains, includes strain-resolved drug degradation and biotransformation capabilities for 98 drugs, and was extensively curated based on comparative genomics and literature searches. The microbial reconstructions performed very well against three independently assembled experimental datasets with an accuracy of 0.72 to 0.84, surpassing other reconstruction resources and predicted known microbial drug transformations with an accuracy of 0.81. We demonstrate that AGORA2 enables personalized, strain-resolved modeling by predicting the drug conversion potential of the gut microbiomes from 616 patients with colorectal cancer and controls, which greatly varied between individuals and correlated with age, sex, body mass index and disease stages. AGORA2 serves as a knowledge base for the human microbiome and paves the way to personalized, predictive analysis of host–microbiome metabolic interactions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Blending Novatein{sup ®} thermoplastic protein with PLA for carbon dioxide assisted batch foaming

The convenience of polymeric foams has led to their widespread utilisation in everyday life. However, disposal of synthetic petroleum-derived foams has had a detrimental effect on the environment which needs to be addressed. This study uses a clean and sustainable approach to investigate the foaming capability of a blend of two biodegradable polymers, polylactic acid (PLA) and Novatein® Thermoplastic Protein (NTP). PLA, derived from corn starch, can successfully be foamed using a batch technique developed by the Biopolymer Network Ltd. NTP is a patented formulation of bloodmeal and chemical additives which can be extruded and injection moulded similar to other thermoplastics. However, foaming NTP is a new area of study and its interaction with blowing agents in the batch process is entirely unknown. Subcritical and supercritical carbon dioxide have been examined individually in two uniquely designed pressure vessels to foam various compositions of NTP-PLA blends. Foamed material were characterised in terms of expansion ratio, cell size, and cellular morphology in order to study how the composition of NTP-PLA affects foaming with carbon dioxide. It was found that blends with 5 wt. % NTP foamed using subcritical CO{sub 2} expanded up to 11 times due to heterogeneous nucleation. Morphology analysis using scanning electron microscopy showed that foams blown with supercritical CO{sub 2} had a finer cell structure with consistent cell size, whereas, foams blown with subcritical CO{sub 2} ranged in cell size and showed cell wall rupture. Ultimately, this research would contribute to the production of a biodegradable foam material to be used in packaging applications, thereby adding to the application potential of NTP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Budget Period 2 Summary Report Part 2: Hywind Maine Project

This project was performed under the Work for Others—Funds in Agreement FIA-14-1793 between Statoil and the Alliance for Sustainable Energy, manager and operator of the National Renewable Energy Laboratory (NREL). To support the development of a 6-MW spar-mounted offshore wind turbine, Statoil funded NREL to perform tasks in the following three categories: 1. Design and analysis 2. Wake modeling 3. Concept resource assessment. This study expands upon the work conducted in Budget Period 1 (BP1) to investigate the influence of the wake generated from an upstream turbine on a downstream turbine using Computational Fluid Dynamics (CFD) high-fidelity modeling tool. Simulator fOr Wind Farms Application (SOWFA) is an NREL high fidelity modeling tool that couples OpenFOAM CFD and NREL’s Aero-Elastic code Fatigue, Aerodynamics, Structures, and Turbulence (FAST). In BP1 the configuration was based on Hywind-3MW at 140 m water depth in the Gulf of Maine; however this study for Budget Period 2 (BP2) the configuration investigated is based on Hywind-6MW at 220 m water depth off the coast of Boston. The objectives were to perform two-turbines One-Way Coupling (OWC), three-turbines Two-Way Coupling (TWC), and to investigate wind power plant optimization.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

U.S. Effort Support to Examinations at Fukushima - Meeting Notes with Updated Information Requests (FY2020)

Much is still not known about the end-state of core materials in each unit that was operating on March 11, 2011 at the Fukushima Daiichi Nuclear Power Station (Daiichi). Information obtained from Daiichi is required to inform Decontamination and Decommissioning (D&D) activities, improving the ability of the Tokyo Electric Power Company Holdings, Incorporated (TEPCO Holdings) to characterize potential hazards and to ensure the safety of workers involved with cleanup activities. This document, which has been updated to include Fiscal Year 2020 (FY2020) information, summarizes results from a U.S. effort to review Daiichi information and extract insights to enhance the safety of existing and future nuclear power plant designs. This U.S. effort, which was initiated in 2014 by the Department of Energy Office of Nuclear Energy (DOE-NE), is completed by a group of experts in reactor safety and plant operations that identify examination needs and evaluate recent Daiichi examination data to address these needs. Since its inception, comprehensive annual reports were issued that document significant safety insights being obtained in areas of special emphasis: system and component performance, radionuclide surveys and sampling, debris end-state location, combustible gas effects, and plant operations and maintenance. In addition to reducing uncertainties related to severe accident modeling progression, these insights have and continue to be used to update guidance for severe accident prevention, mitigation, and emergency planning. Reduced uncertainties in modeling the events at Daiichi improve the realism of reactor safety evaluations that inform future D&D activities. For FY2020, it was decided that the program would gain more benefit from a more concise report that emphasizes new information and insights that affect prior findings and recommendations from the U.S. experts participating in this effort. A key aspect of prior U.S. efforts, the updated list of information requests, is included in this letter report to ensure that they are transmitted to organizations within Japan. In addition, findings and associated recommendations are provided regarding information presented by TEPCO Holdings, Nuclear Damage Compensation and Decommissioning Facilitation Corporation (NDF), and the Japan Atomic Energy Agency (JAEA). This letter report also continues to emphasize how information obtained from the affected reactors at Daiichi has been and will continue to be used to update severe accident management strategies, improve maintenance activities (especially in areas of radiation protection) and reduce uncertainties in systems analysis code models. In addition, recommendations are included that would expand the use of this information to provide insights regarding maintenance, radiation protection, design, and siting activities of existing and new reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗