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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

CsI-Antisolvent Adduct Formation in All-Inorganic Metal Halide Perovskites

The excellent optoelectronic properties shown by hybrid organic/inorganic metal halide perovskites are all predicated on precisely controlling the exact nucleation and crystallization dynamics that occur during film formation. In general, high-performance thin films are obtained by a method commonly called solvent engineering (or antisolvent quench) processing. The solvent engineering method removes excess solvent, but importantly leaves behind solvent that forms chemical adducts with the lead-halide precursor salts. These adduct-based precursor phases control nucleation and the growth of the polycrystalline domains. There has not yet been a comprehensive study comparing the various antisolvents used in different perovskite compositions containing cesium. In addition, there have been no reports of solvent engineering for high efficiency in all-inorganic perovskites such as CsPbI 3 . In this work, inorganic perovskite composition CsPbI 3 is specifically targeted and unique adducts formed between CsI and precursor solvents and antisolvents are found that have not been observed for other A-site cation salts. These CsI adducts control nucleation more so than the PbI 2 -dimethyl sulfoxide (DMSO) adduct and demonstrate how the A-site plays a significant role in crystallization. The use of methyl acetate (MeOAc) in this solvent engineering approach dictates crystallization through the formation of a CsI-MeOAc adduct and results in solar cells with a power conversion efficiency of 14.4%.

14 SOLAR ENERGY↗
DOE OSTI2019

Integrating narratives into decision making for complex systems engineering design issues

Abstract Engineering decision making and design requires collaboration between groups from different disciplines, each with different tools, vocabulary, and concerns. Traditional engineering decision‐making tools are generally based on understanding the decision makers’ values, modeling uncertainty with probability, and selecting the alternative that maximizes utility. This rational approach to decision making may not be well understood or used by many stakeholders involved in the engineering design process. Constructing narratives, a basic means of human communication, may aid in engineering communication and comprehension and help with decision making. Narratives represent events by means of a story and usually include characters or agents who cause events and to whom events happen. This paper recommends three methods for how the use of narrative can be applied to the area of engineering decision making. These methods include connecting the decision maker to the analysis, creating narrative simulations for training decision makers, and fostering consensus in problems with multiple stakeholders. An illustrative example of designing a better cookstove for the developing world demonstrates the role that understanding narratives of various stakeholders can play for accomplishing complex systems engineering.

MacKenzie, Cameron A.↗
DOE OSTI2014

Review on characterization of nano-particle emissions and PM morphology from internal combustion engines: Part 2 [Review on morphology and nanostructure characterization of nano-particle emission from internal combustion engines]

This study presents a review of the characterization of physical properties, morphology, and nanostructure of particulate emissions from internal combustion engines. Because of their convenience and readiness of measurement, various on-line commercial instruments have been used to measure the mass, number, and size distribution of nano-particles from different engines. However, these on-line commercial instruments have inherent limitations in detailed analysis of chemical and physical properties, morphology, and nanostructure of engine soot agglomerates, information that is necessary to understand the soot formation process in engine combustion, soot particle behavior in after-treatment systems, and health impacts of the nano-particles. For these reasons, several measurement techniques used in the carbon research field, i.e., highresolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and Raman spectroscopy, were used for analysis of engine particulate matter (PM). This review covers a brief introduction of several measurement techniques and previous results from engine nano-particle characterization studies using those techniques.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Cooperative Research and Development Agreement between National Energy Technology Laboratory and Korea Institute of Energy Research [Abstract]

The Korea Institute of Energy Research (KIER) and the National Energy Technology Laboratory (NETL) intend to collaborate under a CRADA to advance the development of oxy-combustion technology, with an emphasis on process modeling, optimization, and techno-economic analysis. This collaboration will result in the development of a full-scale process model of a commercial oxy-fueled circulating fluid bed combustion (oxy-CFBC) plant, informed from pilot-scale data and built using the Institute for the Design of Advanced Energy Systems (IDAES) process systems engineering framework. It will also generate cost comparisons of the optimized oxyCFBC process with an air-CFBC process with and without carbon capture and sequestration.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Enhancing Early Systems R&D Capabilities with Systems —Theoretic Process Analysis

Systems engineering today faces a wide array of challenges, ranging from new operational environments to disruptive technological — necessitating approaches to improve research and development (R&D) efforts. Yet, emphasizing the Aristotelian argument that the “whole is greater than the sum of its parts” seems to offer a conceptual foundation creating new R&D solutions. Invoking systems theoretic concepts of emergence and hierarchy and analytic characteristics of traceability, rigor, and comprehensiveness is potentially beneficial for guiding R&D strategy and development to bridge the gap between theoretical problem spaces and engineering-based solutions. In response, this article describes systems–theoretic process analysis (STPA) as an example of one such approach to aid in early-systems R&D discussions. STPA—a ‘top-down’ process that abstracts real complex system operations into hierarchical control structures, functional control loops, and control actions—uses control loop logic to analyze how control actions (designed for desired system behaviors) may become violated and drive the complex system toward states of higher risk. By analyzing how needed controls are not provided (or out of sequence or stopped too soon) and unneeded controls are provided (or engaged too long), STPA can help early-system R&D discussions by exploring how requirements and desired actions interact to either mitigate or potentially increase states of risk that can lead to unacceptable losses. This article will demonstrate STPA's benefit for early-system R&D strategy and development discussion by describing such diverse use cases as cyber security, nuclear fuel transportation, and US electric grid performance. Together, the traceability, rigor, and comprehensiveness of STPA serve as useful tools for improving R&D strategy and development discussions. In conclusion, leveraging STPA as well as related systems engineering techniques can be helpful in early R&D planning and strategy development to better triangulate deeper theoretical meaning or evaluate empirical results to better inform systems engineering solutions.

42 ENGINEERING↗
DOE OSTI2021

A generalized machine learning workflow to visualize mechanical discontinuity

Accurate detection and mapping of mechanical discontinuity in materials has widespread industrial and research applications. Herein, we developed a generalized machine-learning framework for visualizing single mechanical discontinuity embedded in material of any composition, velocity, density, porosity, and size with limited data. The proposed visualization of discontinuity requires accurate estimations of the length, location, and orientation of the embedded discontinuity by processing multipoint wave-transmission measurements. k-Wave simulator is used to create a large dataset of elastic waveforms recorded during multi-point wave-transmission measurements through materials containing single mechanical discontinuity. k-Wave simulator considers the wave attenuation, dispersion, and mode conversion in wave motion. Discrete wavelet transform (DWT) and statistical feature extraction are essential for data preprocessing prior to the data-driven model development. DWT also minimizes the effect of noise. Using hyper-parameter tuning and cross validation, gradient boosting regression can visualize the mechanical discontinuity with an accuracy of 0.85, in terms of coefficient of determination. A double-layered neural network-based regression has better performance with an accuracy of 0.95. Use of convolutional neural network converts the predictive task from a waveform processing to an image processing problem. Convolutional neural network achieved a generalization performance of 0.91. The proposed generalized workflow requires robust simulation of wave propagation, signal processing, feature engineering, and model evaluation. Sensors closest to the source and those located opposite the source are the most significant for the desired visualization. Notably, the sensors closest to the source capture the non-linear associations, whereas the sensor on the border opposite to the source capture the linear associations between the measured waveforms and the properties of the mechanical discontinuity.

42 ENGINEERING↗
DOE OSTI2015

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↗
DOE OSTI2026

Dynamics and observational signatures of core-collapse supernovae with central engines: hydrodynamics simulations with Monte Carlo post-processing

A long-lived central engine embedded in expanding supernova ejecta can alter the dynamics and observational signatures of the event, producing an unusually luminous, energetic, and/or rapidly evolving transient. We use 2D hydrodynamics simulations to study the effect of a central energy source, varying the amount, rate, and isotropy of the energy deposition. We post-process the results with a time-dependent Monte Carlo radiation transport code to extract observational signatures. The engine excavates a bubble at the centre of the ejecta, which becomes Rayleigh–Taylor unstable. Sufficiently powerful engines are able to break through the edge of the bubble and accelerate, shred, and compositionally mix the entire ejecta. The breakout of the engine-driven wind occurs at distinct rupture points, and the outflowing high-velocity gas may eventually give rise to radio emission. The dynamical impact of the engine leads to faster rising optical light curves, with photon escape facilitated by the faster expansion of the ejecta and the opening of low-density channels. For models with strong engines, the spectra are initially hot and featureless, but later evolve to resemble those of broad-line Ic supernovae. Under certain conditions, line emission from ionized, low-velocity material near the centre of the ejecta may be able to escape and produce narrow emission similar to that seen in interacting supernovae. We discuss how variability in the engine energy reservoir and injection rate could give rise to a heterogeneous set of events spanning multiple observational classes, including the fast blue optical transients, broad-line Ic supernovae, and superluminous supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Systematic Literature Review: How is Model-Based Systems Engineering Justified?

The genesis for this systematic literature review was to search for industry case studies that could inform a decision of whether or not to support the change process, investment, training, and tools needed to implement an MBSE approach across the engineering enterprise. The question asked was, how the change from a document - based systems engineering approach (DBSE) to a model-based systems engineering approach (MBSE) is justified? The methodology employed for this systematic literature review was to conduct a document search of electronically published case studies by authors from the defense, space, and complex systems product engineering industries. The 67 case studies without metrics mainly attributed success to completeness, consistency, and communication of requirements. The 21 case studies with metrics on cost and schedule primarily attributed success to the ability of an MBSE approach to improve defect prevention strategies. The primary conclusion is that there is a significant advantage to project performance by applying an MBSE approach. An MBSE approach made the engineering processes on a complex system development effort more efficient by improving requirements completeness, consistency, and communication. These were seen in engineering processes involved in requirements management, concept exploration, design reuse, test and qualification, Verification and Validation, and margins analyses. An MBSE approach was most effective at improving defect prevention strategies. The approach was found to enhance the capability to find defects early in the system development life cycle (SDLC), when they could be fixed with less impact and prevented rework in later phases, thus mitigating risks to cost, schedule, and mission. However, if a program only employed an MBSE approach for requirements management, advantages from finding defects early could not be leveraged in later phases, where the savings in cost and schedule from rework prevention is realized. Significant performance success was achieved when the systems engineer (SE) held a leadership role over engineering process es. A number of the case studies addressed a general lack of skilled MBSE engineers as a major hindrance to implementing an MBSE approach successfully.

42 ENGINEERING↗
DOE OSTI2024

Opportunities for Process Intensification with Membranes to Promote Circular Economy Development for Critical Minerals

Critical minerals are essential to the future of clean energy, especially energy storage, electric vehicles, and advanced electronics. In this paper, we argue that process systems engineering (PSE) paradigms provide essential frameworks for enhancing the sustainability and efficiency of critical mineral processing pathways. As a concrete example, we review challenges and opportu-nities across material-to-infrastructure scales for process intensification (PI) with membranes. Within critical mineral processing, there is a need to reduce environmental impact, especially con-cerning chemical reagent usage. Feed concentrations and product demand variability require flex-ible, intensified processes. Further, unique feedstocks require unique processes (i.e., no one-size-fits-all recycling or refining system exists). Membrane materials span a vast design space that allows significant optimization. Therefore, there is a need to rapidly identify the best opportunities for membrane implementation, thus informing materials optimization with process and infrastructure scale performance targets. Finally, scale-up must be accelerated and de-risked across the materials-to-process levels to fully realize the opportunity presented by membranes, thereby fostering the development of a circular economy for critical minerals. Tackling these challenges requires integrating efforts across diverse disciplines. We advocate for a holistic molecular-to-systems perspective for fully realizing PI with membranes to address sustainability challenges in critical mineral processing. The opportunities for PI with membranes are excellent applications for emerging research in machine learning, data science, automation, and optimization.

Dougher, Molly↗
DOE OSTI2015

Are We Preparing the Next Generation? K-12 Teacher Knowledge and Engagement in Teaching Core STEM Practices

Several of the recent reform efforts in K-12 STEM education (e.g. Next Generation Science Standards [NGSS and Common Core State Standards-Mathematics [CCSS-M]) have included significant emphasis on the practices of STEM. We argue that K-12 teachers’ ability to effectively engage their students in these core STEM practices is fundamental to the success of potential and current engineering students and their subsequent careers as engineers. Practices such as identifying problems, modeling using mathematics, and arguing from evidence are fundamental processes in engineering. Helping students develop their capacity to engage in these practices early in their education will increase the likelihood of the students applying the practices and developing skills aligned with the work of engineers. We contend that engaging in the practices associated with engineering may increase K-12 student interest and the successful pursuit of engineering as a career because they will find relevance in what is being taught and gain knowledge of the applications of STEM content which will help them develop talents aligned with the work of engineers.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Reaction process involving capillary condensation within a microporous catalyst

Described herein is a catalytic reaction process including introducing one or more gas-phase reactants into a reactor comprising a microporous catalyst having a pore size less than or equal to 2 nm and adjusting the temperature and/or the pressure of the reactor such that one or more of the gas-phase reactants condense within the micropores of the catalyst thereby causing the catalytic reaction to take place in a liquid phase. Additionally, a process for engineering defects on a carboxylate-based metal organic framework (MOF) catalyst is described. The process includes providing a carboxylate-based MOF catalyst; and heating the carboxylate-based MOF catalyst in an inert gas atmosphere at temperatures between about 150° C. and about 900° C.

Aguirrezabal, Iker↗
DOE OSTI2014

Engineering scale demonstration of a prospective Cast Stone process

This report documents an engineering-scale demonstration with non-radioactive simulants that was performed at SRNL using the Scaled Continuous Processing Facility (SCPF) to fill an 8.5 ft container with simulated Cast Stone grout. The Cast Stone formulation was chosen from the previous screening tests. Legacy salt solution from previous Hanford salt waste testing was adjusted to correspond to the average composition generated from the Hanford Tank Waste Operation Simulator (HTWOS). The dry blend materials, ordinary portland cement (OPC), Class F fly ash, and ground granulated blast furnace slag (GGBFS or BFS), were obtained from Lafarge North America in Pasco, WA. Over three days, the SCPF was used to fill a 1600 gallon container, staged outside the facility, with simulated Cast Stone grout. The container, staged outside the building approximately 60 ft from the SCPF, was instrumented with x-, y-, and z-axis thermocouples to monitor curing temperature. The container was also fitted with two formed core sampling vials. For the operation, the targeted grout production rate was 1.5 gpm. This required a salt solution flow rate of approximately 1 gpm and a premix feed rate of approximately 580 lb/h. During the final day of operation, the dry feed rate was increased to evaluate the ability of the system to handle increased throughput. Although non-steady state operational periods created free surface liquids, no bleed water was observed either before or after operations. The final surface slope at a fill height of 39.5 inches was 1-1.5 inches across the 8.5 foot diameter container, highest at the final fill point and lowest diametrically opposed to the fill point. During processing, grout was collected in cylindrical containers from both the mixer discharge and the discharge into the container. These samples were stored in a humid environment either in a closed box proximal to the container or inside the laboratory. Additional samples collected at these sampling points were analyzed for rheological properties and density. Both the rheological properties (plastic viscosity and yield strength) and density were consistent with previous and later SCPF runs.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

High performance protonic ceramic fuel cell systems for distributed power generation

The technology landscape around distributed generation continues to evolve in response to increasing demand for high-efficiency, low-emission, low-cost power generation. While emerging distributed power technologies, such as solid oxide fuel cells (SOFCs), continue to advance, they still face challenges due to their high capital costs, and shorter lifetimes that typically arise from electrochemical stack performance degradation at high operating temperatures (>750 °C). Recent advancements in protonic ceramic fuel cells (PCFCs) offer the potential to mitigate drawbacks of their higher temperature SOFC counterparts by enabling lower operating temperatures (550 °C–600 °C) with acceptable power densities. Here the present work leverages the recent progress in protonic ceramic cell and stack technology development to generate viable system configurations and evaluate the energetic performance potential of PCFC-based systems for stationary power generation. Process system engineering of two water-neutral system concepts, which provide 25 kW of electric power and process hot water, are presented and evaluated through sensitivity studies. Stack design parameters are altered and used to gauge the effect on system performance characteristics, including fuel cell stack and balance-of-plant sizing requirements, and electric and cogeneration efficiencies. The study finds that the potentially high per-pass fuel utilization capability of PCFC stacks could enable unprecedented electric efficiencies approaching 70% without hybridization with other prime movers.

25 ENERGY STORAGE↗
DOE OSTI2020

A Bezier Curve Informed Melt Pool Geometry to Model Additive Manufacturing Microstructures Using SPPARKS

Additive manufacturing is a transformative technology with the potential to manufacture designs which traditional subtractive machining methods cannot. Additive manufacturing offers fast builds at near final desired geometry; however, material properties and variability from part to part remain a challenge for certification and qualification of metallic components. AM induced metallic microstructures are spatially heterogeneous and highly process dependent. Engineering properties such as strength and toughness are significantly affected by microstructure morphologies resulting from the manufacturing process Linking process parameters to microstructures and ultimately to the dynamic response of AM materials is critical to certifying and qualifying AM built parts and components and improving the performance of AM materials. The AM fabrication process is characterized by building parts layer by layer using a selective laser melt process guided by a computer. A laser selectively scans and melts metal according to a designated geometry. As the laser scans, metal melts, fuses, and solidifies forming the final geometry in a layerwise fashion. As the laser heat source moves away, the metal cools and solidifies forming metallic microstructures. This work describes a microstructure modeling application implemented in the SPPARKS kinetic Monte Carlo computational framework for simulating the resulting microstructures. The application uses Bzier curves and surfaces to model the melt pool surface and spatial temperature profile induced by moving the laser heat source; it simulates the melting and fusing of metal at the laser hot spot and microstructure formation and evolution when the laser moves away. The geometry of the melt pool is quite flexible and we explore effects of variances in model parameters on simulated microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Selective engineering of cavity resonance for frequency matching in optical parametric processes

We propose to selectively engineer a single cavity resonance to achieve frequency matching for optical parametric processes in high-Q microresonators. For this purpose, we demonstrate an approach, selective mode splitting (SMS), to precisely shift a targeted cavity resonance, while leaving other cavity modes intact. We apply SMS to achieve efficient parametric generation via four-wave mixing in high-Q silicon microresonators. The proposed approach is of great potential for broad applications in integrated nonlinear photonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Rational Optimization of Microbial Processing for High Yield CO 2 -to-Isopropanol Conversion: Cooperative Research and Development Final Report, CRADA Number CRD-20-17114

This project focuses on the production of the fuel blendstock isopropanol using a CO 2 -fixing Clostridium by metabolic engineering and process optimizations. The project will initiate from a baseline isopropanol producer and pursue isopropanol production at high carbon-conversion efficiency. We will lead engineering work by in-depth pathway analyses including thermodynamics optimization, enzyme expense analysis, metabolic robustness analysis, and -omics analysis. The isopropanol production will be optimized via genome editing followed by fermentation optimizations. This project will deliver a novel microbial process that efficiently converts waste CO 2 to isopropanol at ~g/L titer level within 18-months. This project will layout a solid knowledge basis and technology platform for renewable CO 2 valorization to bio-blendstock that help achieve Co-Optima and Shell's goals.

09 BIOMASS FUELS↗