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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Accelerating Learning with Set-Based Concurrent Engineering

The traditional design approach for product development is to develop a design based on customer requirements and technical knowledge, build the product according to the detail requirements provided, and then test the product to validate that it works as intended. The team typically starts by identifying a single design approach and spends their time validating a single design during testing. Design teams often encounter issues in the course of development with performance, manufacturability, interfaces and more. To compensate for test failures, teams often build in time into the schedule for additional design loopbacks. Further, when the loopbacks lead to change, the late changes are costly and risky, causing the team to focuses on "fixing the bare minimum" to meet cost and schedule expectations.

42 ENGINEERING↗

An orthogonal metabolic framework for one-carbon utilization

Metabolic engineering often entails concurrent engineering of substrate utilization, central metabolism, and product synthesis pathways to maximize the conversion of a carbon substrate into desired product(s). Here, we report an alternative approach using synthetic pathways for C1 bioconversion that are orthogonal to the host metabolic network, thus minimizing interdependency on native metabolism and enabling more efficient biocatalysts. Here, the engineered pathways are based on formyl-CoA elongation (FORCE) reactions catalyzed by the enzyme 2-hydroxyacyl-CoA lyase (HACL) and generate multi-carbon products directly from C1 elongation units in the form of formyl-CoA. Herein, we use thermodynamic and stoichiometric analyses to evaluate different FORCE pathway variants, including aldose elongation, α-reduction, and aldehyde elongation. Promising variants were further prototyped using cell-free systems (purified enzymes and cell extracts) as well as resting and growing cultures of non-methylotrophic bacterium Escherichia coli. We demonstrate that C1 substrates formate, formaldehyde, and methanol can be used as inputs for FORCE pathways and that FORCE reactions can serve as a platform for varied product synthesis including glycolate, ethylene glycol, ethanol, and glycerate. Furthermore, the orthogonal FORCE pathways have the potential to be integrated with host metabolism for synthetic methylotrophy by the production of native growth substrates as demonstrated in a two-strain culture system.

59 BASIC BIOLOGICAL SCIENCES↗

Systems Engineering Model for ART Energy Conversion

The near-term objective of the EC team is to establish an operating, commercially scalable Recompression Closed Brayton Cycle (RCBC) to be constructed for the NE - STEP demonstration system (demo) with the lowest risk possible. A systems engineering approach is recommended to ensure adequate requirements gathering, documentation, and mode ling that supports technology development relevant to advanced reactors while supporting crosscut interests in potential applications. A holistic systems engineering model was designed for the ART Energy Conversion program by leveraging Concurrent Engineering, Balance Model, Simplified V Model, and Project Management principles. The resulting model supports the identification and validation of lifecycle Brayton systems requirements, and allows designers to detail system-specific components relevant to the current stage in the lifecycle, while maintaining a holistic view of all system elements.

42 ENGINEERING↗

Genomic materials design: CALculation of PHAse Dynamics

The CALPHAD system of fundamental phase-level databases, now known as the Materials Genome, has enabled a mature technology of computational materials design and qualification that has already met the acceleration goals of the national Materials Genome Initiative. Here, as first commercialized by QuesTek Innovations, the methodology combines efficient genomic-level parametric design of new material composition and process specifications with multidisciplinary simulation-based forecasting of manufacturing variation, integrating efficient uncertainty management. Recent projects demonstrated under the multi-institutional CHiMaD Design Center notably include novel alloys designed specifically for additive manufacturing. With the proven success of the CALPHAD-based Materials Genome technology, current university research emphasizes new methodologies for affordable accelerated expansion of more accurate CALPHAD databases. Rapid adoption of these new capabilities by US apex corporations has compressed the materials design and development cycle to under 2 years, enabling a new “materials concurrency” integrated into a new level of concurrent engineering supporting an unprecedented level of manufacturing innovation.

36 MATERIALS SCIENCE↗

Localized Symmetry Breaking for Tuning Thermal Expansion in ScF 3 Nanoscale Frameworks

The local symmetry, beyond the averaged crystallographic structure, tends to bring unu-sual performances. Negative thermal expansion is a peculiar physical property of solids. Here in this paper, we report the delicate design of the localized symmetry breaking to achieve the controllable thermal expansion in ScF 3 nano-scale frameworks. Intriguingly, an isotropic zero thermal expansion is concurrently engineered by localized symmetry breaking, with a remarkably low coefficient of thermal expansion of about +4.0×10-8/K up to 675K. This mechanism is investigated by the joint analysis of atomic pair dis-tribution function of synchrotron X-ray total scattering and extended X-ray absorption fine structure spectra. A localized rhombohedral distortion presumably plays a critical role in stiffening ScF 3 nano-scale frameworks and concomitantly suppressing transverse thermal vibrations of fluorine atoms. This physical scenario is also theoretically corroborated by the extinction of phonon modes with negative Grüneisen parameters in the rhombohedral ScF 3 . The present work opens an untraditional chemical modification to achieve controllable thermal expansion by breaking local symmetries of materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

RuBisCO activity assays: a simplified biochemical redox approach for in vitro quantification and an RNA sensor approach for in vivo monitoring

Abstract Background Ribulose-1,5-bisphosphate carboxylase/oxygenase (RuBisCO) is the most abundant soluble protein in nature. Extensive studies have been conducted for improving its activity in photosynthesis through approaches like protein engineering. Concurrently, multiple biochemical and radiolabeling assays have been developed for determining its activity. Although these existing assays yield reliable results, they require addition of multiple external components, rendering them less convenient and expensive. Therefore, in this study, we have developed two relatively cheaper, convenient, and easily reproducible assays for quantitative and qualitative estimation of RuBisCO activity. Results We simplified a contemporary NADH based spectrophotometric RuBisCO assay by using cyanobacterial cell lysate as the source for Calvin cycle enzymes. We analyzed the influence of inorganic carbon substrates, CO 2 and NaHCO 3 , and varying protein concentrations on RuBisCO activity. Ribulose-1,5-bisphosphate (RuBP) consumption rates for the cultures grown under 5% CO 2 were 5–7 times higher than the ones grown with 20 mM NaHCO 3 , at different protein concentrations. The difference could be due to the impaired activity of carbonic anhydrase in the cell lysate, which is required for the conversion of HCO 3 − to CO 2 . The highest RuBisCO activity of 2.13 nmol of NAD + / µg of Chl-a/ min was observed with 50 µg of protein and 5% CO 2 . Additionally, we developed a novel RNA-sensor based fluorescence assay that is based on the principle of tracking the kinetics of ATP hydrolysis to ADP during the conversion of 3-phosphoglycerate (3-PG) to 1,3-bisphosphoglycerate (1,3-BPG) in the Calvin cycle. Under in vitro conditions, the fluorometric assay exhibited ~ 3.4-fold slower reaction rate (0.37 min −1 ) than the biochemical assay when using 5% CO 2 . We also confirmed the in vivo application of this assay, where increase in the fluorescence was observed with the recombinant strain of Synechocystis sp. PCC 6803 (SSL142) expressing the ADP-specific RNA sensor, compared to the WT. In addition, SSL142 exhibited three-fold higher fluorescence when supplemented with 20 mM NaHCO 3 as compared to the cells that were grown without NaHCO 3 supplementation. Conclusions Overall, we have developed a simplified biochemical assay for monitoring RuBisCO activity and demonstrated that it can provide reliable results as compared to the prior literature. Furthermore, the biochemical assay using 5% CO 2 (100% relative activity) provided faster RuBP consumption rate compared to the biochemical assay utilizing 20 mM NaHCO 3 (30.70% relative activity) and the in vitro fluorometric assay using 5% CO 2 (29.64% relative activity). Therefore, the absorbance-based biochemical assay using 5% CO 2 or higher would be suitable for in vitro quantification of the RuBisCO activity. On the other hand, the RNA-sensor based in vivo fluorometric assay can be applied for qualitative analysis and be used for high-throughput screening of RuBisCO variants. As RuBisCO is an enzyme shared amongst all the photoautotrophs, the assays developed in this study can easily be extended for analyzing the RuBisCO activities even in microalgae and higher plants.

59 BASIC BIOLOGICAL SCIENCES↗

MOSAiC Radar b1 Processing: Corrections, Calibrations, and Processing Report

The U.S. Department of Energy’s (DOE) Atmospheric Radiation Measurement (ARM) user facility deployed many instruments on board a German ice breaker, the Research Vessel (RV) Polarstern, for one year from October 2019 to October 2020. The purpose of the Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) field campaign was to study the decline in the sea-ice pack around the North Pole, and what factors may be at play. After the campaign ended, efforts were undertaken to provide a calibrated radar data set for future studies. MOSAiC presented new challenges to this process, as existing methodologies often were not applicable for the frozen environment with little to no ground clutter, and concurrent engineering updates or calibrations could not be accomplished once the ship set off. Like the previous Cloud, Aerosol, and Complex Terrain Interactions (CACTI) and Cold-air Outbreaks in the Marine Boundary Layer Experiment (COMBLE) documentation (Hardin et al. 2020, Matthews et al. 2023), the data correction and calibration process is known in ARM as creating a “b1” datastream. This means that the radar datastreams have been well characterized to the best possible quality. This report will detail the status of the raw “a1” level data sets during the MOSAiC campaign, the corrections that were applied to create the “b1” data files, and the details of the applied methods.

54 ENVIRONMENTAL SCIENCES↗

Sensitivity Analysis for the Component Design App: Analysis of Success Assured Data

A new tool has been developed to perform variance-based global sensitivity analysis (VBGSA) on data from a set-based concurrent engineering software called Success Assured (SA). The tool is part of a digital component design app, which is currently in production as an Accelerated Digital Engineering Pathfinder at Sandia National Laboratories. When working with complex digital models, it is important to understand relationships between inputs and outputs, i.e., how “sensitive” model outputs are to changes in model inputs. After extensive research and trials of various sensitivity analysis methods, it was determined that estimation of Sobol’ indices for VBGSA with Monte Carlo simulation, paired with simple surrogate models, produces the best results for SA data. This tool increases understanding of SA models and streamlines the creation of SA datasets. This report details the methodology and implementation of this sensitivity analysis tool so others can understand it and implement it.

97 MATHEMATICS AND COMPUTING↗

A concurrent irradiation-mechanics multiscale coupling model

The vast majority of our current knowledge regarding the basic mechanisms controlling irradiation effect on mechanical properties is based almost entirely on the results of post-irradiation experiments or theoretical models. However, the concurrent effects of irradiation, mechanical stress, and thermal damage on the failure phenomena of materials and components remain largely unexplored due to its internal multiscale-multiphysics coupling nature. Here, we present here a concurrent irradiation-mechanics multiscale coupling model. The concurrent evolutions of nanoscale irradiation defect clusters, microscale dislocation configurations, and mechanical responses are well captured based on coupling cluster dynamics, discrete dislocation dynamics, and the finite element methods using an effective time marching scheme. Model predictions of defect densities and size are in general agreement with experimental observations. Irradiation hardening is shown to take place also in samples undergoing concurrent irradiation-mechanical loading, similar to samples tested post-irradiation. However, the occurrence of plastic flow localization and dislocation channel formation is not accompanied with apparent yield drop (softening) under concurrent irradiation-mechanical loading conditions, which is different from the post-irradiation case.

42 ENGINEERING↗

RANGERS: Methodology Report on Design and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF

Salt formations are one of the potential host rocks for the final disposal of high-level radioactive waste (HLW) in deep geological repositories, both in Germany and the United States. The safe isolation of radioactive waste in these repositories relies on a multi-barrier system, combining engineered and natural barriers. The natural barrier is provided by the salt rock itself, known for its self-sealing properties and long-term stability. The engineered barrier, on the other hand, comprises sealing components strategically placed within the repository to enhance its containment capabilities. In both Germany and the United States, long-term safety assessments require demonstrating the integrity of the natural barrier for a period of up to 1 million years. Concurrently, the engineered barrier system (EBS) must maintain its structural and functional integrity until the long-term sealing, such as the granular salt backfill material, has re-consolidated to its final low porosity and permeability. Based on extensive expertise and experience with engineered barriers in salt formations, BGE TECHNOLOGY GmbH and Sandia National Laboratories have partnered to develop a robust methodology for the integrity and performance assessment of EBS in HLW repositories through the RANGERS project. This collaborative effort aims to establish a unified approach to geotechnical engineering, repository design, integrity and performance evaluation of EBS in salt repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Recovery Act. Demonstration of a Pilot Integrated Biorefinery for the Efficient, Direct Conversion of Biomass to Diesel Fuel

The Renewable Energy Institute International, in collaboration with Greyrock Energy and Red Lion Bio-Energy (RLB) has successfully demonstrated operation of a 25 ton per day (tpd) nameplate capacity, pilot, pre-commercial-scale integrated biorefinery (IBR) plant for the direct production of premium, “drop-in”, synthetic fuels from agriculture and forest waste feedstocks using next-generation thermochemical and catalytic conversion technologies. The IBR plant was built and tested at the Energy Center, which is located in the University of Toledo Medical Campus in Toledo, Ohio.

03 NATURAL GAS↗

Predicting Cycle-to-Cycle Variation With Concurrent Cycles in a Gasoline Direct Injected Engine With Large Eddy Simulations

High cycle-to-cycle variation (CCV) is detrimental to engine performance, as it leads to poor combustion and high noise and vibration. In this work, CCV in a gasoline engine is studied using large eddy simulation (LES). The engine chosen as the basis of this work is a single-cylinder gasoline direct injection (GDI) research engine. Two stoichiometric part-load engine operating points (6 BMEP, 2000 RPM) were evaluated: a non-dilute (0% EGR) case and a dilute (18% EGR) case. The experimental data for both operating conditions had 500 cycles. The measured CCV in IMEP was 1.40% for the non-dilute case and 7.78% for the dilute case. To estimate CCV from simulation, perturbed concurrent cycles of engine simulations were compared to consecutively obtained engine cycles. The motivation behind this is that running consecutive cycles to estimate CCV is quite time-consuming. For example, running 100 consecutive cycles requires 2–3 months (on a typical cluster), however, by running concurrently one can potentially run all 100 cycles at the same time and reduce the overall turnaround time for 100 cycles to the time taken for a single cycle (2 days). The goal of this paper is to statistically determine if concurrent cycles, with a perturbation applied to each individual cycle at the start, can be representative of consecutively obtained cycles and accurately estimate CCV. 100 cycles were run for each case to obtain statistically valid results. The concurrent cycles began at different timings before the combustion event, with the motivation to identify the closest time before spark to minimize the run time. Only a single combustion cycle was run for each concurrent case. The calculated standard deviation of peak pressure and coefficient of variance (COV) of indicated mean effective pressure (IMEP) were compared between the consecutive and concurrent methods to quantify CCV. It was found that the concurrent method could be used to predict CCV with either a velocity or numerical perturbation. Here, a large and small velocity perturbation were compared and both produced correct predictions, implying that the type of perturbation is not important to yield a valid realization. Starting the simulation too close to the combustion event, at intake valve close (IVC) or at spark timing, under-predicted the CCV. When concurrent simulations were initiated during or before the intake even, at start of injection (SOI) or earlier, distinct and valid realizations were obtained to accurately predict CCV for both operating points. By simulating CCV with concurrent cycles, the required wall clock time can be reduced from 2–3 months to 1–2 days. Additionally, the required core-hours can be reduced up to 41%, since only a portion of each cycle needs to be simulated.

42 ENGINEERING↗

Multidisciplinary concurrent optimization framework for multi-phase building design process

Modern day building design projects require multidisciplinary expertise from architects and engineers across various phases of the design (conceptual, preliminary, and detailed) and construction processes. The Architecture Engineering and Construction (AEC) community has recently shifted gears toward leveraging design optimization techniques to make well-informed decisions in the design of buildings. However, most of the building design optimization efforts are either multidisciplinary optimization confined to just a specific design phase (conceptual/preliminary/detailed) or single disciplinary optimization (structural/thermal/daylighting/energy) spanning across multiple phases. Complexity in changing the optimization setup as the design progresses through subsequent phases, interoperability issues between modeling and physics-based analysis tools used at later stages, and the lack of an appropriate level of design detail to get meaningful results from these sophisticated analysis tools are few challenges that limit multi-phase multidisciplinary design optimization (MDO) in the AEC field. Here this paper proposes a computational building design platform leveraging concurrent engineering techniques such as interactive problem structuring, simulation-based optimization using meta models for energy and daylighting (machine learning based) and tradespace visualization. The proposed multi-phase concurrent MDO framework is demonstrated by using it to design and optimize a sample office building for energy and daylighting objectives across multiple phases. Furthermore, limitations of the proposed framework and future avenues of research are listed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Field Deployment of a Portable Optical Spectrometer for Methane Fugitive Emissions Monitoring on Oil and Gas Well Pads

We present field deployment results of a portable optical absorption spectrometer for localization and quantification of fugitive methane (CH 4 ) emissions. Our near-infrared sensor targets the 2$ν_3$ R(4) CH 4 transition at 6057.1 cm −1 (1651 nm) via line-scanned tunable diode-laser absorption spectroscopy (TDLAS), with Allan deviation analysis yielding a normalized 2.0 ppmv∙Hz −1/2 sensitivity (4.5 × 10 −6 Hz −1/2 noise-equivalent absorption) over 5 cm open-path length. Controlled CH 4 leak experiments are performed at the METEC CSU engineering facility, where concurrent deployment of our TDLAS and a customized volatile organic compound (VOC) sensor demonstrates good linear correlation (R 2 = 0.74) over high-flow (>60 SCFH) CH 4 releases spanning 4.4 h. In conjunction with simultaneous wind velocity measurements, the leak angle-of-arrival (AOA) is ascertained via correlation of CH 4 concentration and wind angle, demonstrating the efficacy of single-sensor line-of-sight (LOS) determination of leak sources. Finally, source magnitude estimation based on a Gaussian plume model is demonstrated, with good correspondence (R 2 = 0.74) between calculated and measured release rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Concurrently adjusting interrelated control parameters to achieve optimal engine performance

Methods and systems for real-time engine control optimization are provided. A value of an engine performance variable is determined, a value of a first operating condition and a value of a second operating condition of a vehicle engine are detected, and initial values for a first engine control parameter and a second engine control parameter are determined based on the detected first operating condition and the detected second operating condition. The initial values for the first engine control parameter and the second engine control parameter are adjusted based on the determined value of the engine performance variable to cause the engine performance variable to approach a target engine performance variable. In order to cause the engine performance variable to approach the target engine performance variable, adjusting the initial value for the first engine control parameter necessitates a corresponding adjustment of the initial value for the second engine control parameter.

33 ADVANCED PROPULSION SYSTEMS↗