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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

Coal-based bricks and blocks (CBBs) were formulated using anthracite and thermoplastic binder. Lab scale test composites were formed by hot-press molding and commercial extrusion for test articles and for a full-scale prototype. Formulations and test matrices followed a systematic experimental design to examine the effects of and interactions among three primary independent variables: a) thermoplastic type, b) weight fractions of binder relative to the total anthracite weight, and c) relative proportions of large versus small (milled) anthracite size fractions. Technical performance metrics include compressive strength, modulus, porosity/permeability and density. These DoE studies establish composition-property relations and identify the best combination for any desired property of interest – in particular, strength. Based on CBB composition and fabrication process, validated against technical performance metrics, a techno-economic analysis was constructed which incorporated a process flow model, engineering design (with scaling), and calculated capital plus operating costs. Based on measured property metrics and estimated process economics and a projected price by TEA (techno-economic analysis), building and construction target markets were identified by a market survey assessment. With known cost, price, performance metrics and competitive advantages for CBBs matched with commercial applications/uses, a technical gap analysis was performed to identify further development required for scale-up and commercialization.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Opportunities and challenges in process modeling and simulation of electrochemical systems

Electrochemical technologies have garnered intense interest in both academic research and industrial applications due to their potential to increase energy efficiency and reduce carbon footprint. However, electrochemical process fundamentals have been absent from the chemical process simulators available to millions of chemical engineers worldwide. To expedite process research and development of electrochemical technologies in the chemical industry, it is imperative that essential electrochemical process fundamentals be incorporated into process simulators to support modeling and simulation of electrochemical processes. Here, this study examines three process fundamentals key to the research and development of electrochemical processes: electrochemical reaction kinetics, electrolyte thermodynamics, and heat and mass transfer. It further illustrates application of these process fundamentals with a case study modeling an electrochemical process for the conversion of acrylonitrile to adiponitrile. The modeling example highlights the roles of applied voltage on reaction rates, and electron flow rates on the performance of electrochemical processes. It suggests that the applied voltage and electron flow rates are two unique concepts that should be included in simulators for electrochemical processes.

09 BIOMASS FUELS↗
DOE OSTI2024

Surface Engineering Strategy to Synthesize Bicomponent Carbons for Rechargeable Zinc-Air Batteries

Atomic Fe-N x moieties and nanosized FeCo species anchored on carbons have each been demonstrated to be among the most effective active components for oxygen reduction and evolution reactions (ORR/OER), respectively in rechargeable zinc -air batteries (ZABs). However, incorporating both of these components in a single catalyst presents a great challenge due to the trade-off in formation between them during hightemperature preparation. Herein, we integrate them into a bicomponent carbon through a surface engineering strategy. In this process, K 3 [Fe(CN) 6 ] is engineered on the surface of a precursor mixture consisting of polyaniline-coated graphene oxide and ZIF-67. This is followed by pyrolysis to produce the bicomponent carbon catalyst of FeCo nanoparticles modified carbon polyhedron (for accelerating the OER), supported on atomically dispersed Fe -N -doped carbon nanosheet (for boosting the ORR). The catalyst exhibits a small potential gap of 0.69 V for OER/ORR. In situ Raman spectroscopy demonstrates that spinel FeCo oxides may be responsible for OER. The use of this catalyst in ZABs achieves high power densities of 225 mW cm -2 in aqueous electrolyte and 164 mW cm -2 in solid-state electrolyte. Additionally, a small and stable voltage gap of 0.712 V at 10 mA cm -2 is maintained after 1035 discharge -charge cycles demonstrating the great application potential in energy devices.

An, Jia-Xing↗
DOE OSTI2018

ICME Guided Development of Advanced Cast Aluminum Alloys for Automotive Engine Applications (ADAPA) (Final Report)

Project Objectives include the following: 1) To develop a new class of advanced, cost competitive aluminum casting alloys providing a 25% improvement in component strength relative to components made with A319 or A356 alloys using sand and semi-permanent casting processes for highperformance engine applications; 2) To demonstrate the power of Integrated Computational Materials Engineering (ICME) tools for accelerating the development of new materials and processing techniques, as well as to identify the gaps in ICME capabilities; 3) To develop comprehensive cost models to ensure that components manufactured with these new alloys do not exceed 110% of the cost using incumbent alloys A319 or A356; 4) To develop a technology transfer and commercialization plan for deployment of these new alloys in automotive engine applications; 5) The key targets and baseline are shown in the table below.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2014

Enterprise and system of systems capability development life-cycle processes.

This report and set of appendices are a collection of memoranda originally drafted circa 2007-2009 for the purpose of describing and detailing a models-based systems engineering approach for satisfying enterprise and system-of-systems life cycle process requirements. At the time there was interest and support to move from Capability Maturity Model Integration (CMMI) Level One (ad hoc processes) to Level Three. The main thrust of the material presents a rational exposâe of a structured enterprise development life cycle that uses the scientific method as a framework, with further rigor added from adapting relevant portions of standard systems engineering processes. While the approach described invokes application of the Department of Defense Architectural Framework (DoDAF), it is suitable for use with other architectural description frameworks.

42 ENGINEERING↗
DOE OSTI2025

Design of Novel Hot Gas Component for Gas Turbine Engines Enabled by Materials and Additive Manufacturing Process Development

This CRADA project was the result of a project award under FOA-DOE-0001980. The overarching FOA project team consisted of researchers from Carpenter Technology Corporation (CTC), Solar Turbines Incorporated (Solar), Pennsylvania State University (PSU), University of California-Santa Barbara (UCSB), and Oak Ridge National Laboratory (ORNL). Evaluations were conducted on two high-γ’ superalloys that were designed by CTC and the UCSB. One alloy named GammaPrint-700 (GP-700) is a cobalt-base superalloy. The other alloy named GammaPrint-1100 (GP-1100) is a nickel-base (Ni-base) superalloy. PSU provided expertise and experimental testing of the thermal performance of AM micro-cooling architectures. ORNL provided expertise with the AM superalloy materials characterization and AM processing science. Solar provided turbine component design expertise. The focus of this CRADA report is to document the efforts between ORNL and CTC towards the development of superalloys designed for AM. The project goal was to use an AM processable high-temperature superalloy and design for Additive Manufacturing (DfAM) techniques to design an efficient turbine component (i.e. a turbine tip shoe) with enhanced cooling features that can only be fabricated through additive manufacturing (AM). The efficiencies of existing combined heat and power (CHP) engines are capped by both component design and materials limitations. However, AM of a tip shoe component from a γ’strengthened superalloy offers the design flexibility to increase the efficiency and power of an industrial gas turbine. This project brought about advancements in the DfAM tip shoe design space and in the area of high temperature superalloys processable through laser powder bed fusion (LPBF) AM. State of art computation design tools were utilized to optimize unique cooling features into a tip shoe component design. A two-prong materials development approach was taken to support development of the AM tip shoe geometry. The first approach centered on investigating the processability and the appropriate process science for the industry standard high-γ’ nickel-base (Ni-base) superalloy Mar-M247. This superalloy is typically cast and considered non-weldable by traditional welding standards. In the course of this work, the alloy was not deemed feasible for process scale-up due to significant cracking issues during printing. The second approach focused on the development and evaluation of a novel cobalt-base superalloy, GammaPrint™-700 (GP-700 and a Ni-base superalloy, GammaPrint™-1100 (GP-1100) designed to mitigate the significant AM processing issues with Mar-M247. The processability of these two alloys were investigated through electron beam melting (EBM) binder-jet AM (BJAM), and LPBF as a risk mitigation for manufacturability. To be considered a candidate material for down-selection to proceed to fullscale AM tip shoe engine testing trials, the high temperature creep rupture strength was required to achieve at a minimum, a Larsen Miller Parameter (LMP) increase of 10.9% over the baseline material LPBF AM Hastelloy X.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Design of Novel Hot Gas Component for Gas Turbine Engines Enabled by Materials and Additive Manufacturing Process Development

This CRADA project was the result of a project award under FOA-DOE-0001980. The overarching FOA project team consisted of researchers from Carpenter Technology Corporation (CTC), Solar Turbines Incorporated (Solar), Pennsylvania State University (PSU), University of California-Santa Barbara (UCSB), and Oak Ridge National Laboratory (ORNL). Evaluations were conducted on two high-γ’ superalloys that were designed by CTC and the UCSB. One alloy named GammaPrint-700 (GP-700) is a cobalt-base superalloy. The other alloy named GammaPrint-1100 (GP-1100) is a nickel-base (Ni-base) superalloy. PSU provided expertise and experimental testing of the thermal performance of AM micro-cooling architectures. ORNL provided expertise with the AM superalloy materials characterization and AM processing science. Solar provided turbine component design expertise. The focus of this CRADA report is to document the efforts between ORNL and CTC towards the development of superalloys designed for AM. The project goal was to use an AM processable high-temperature superalloy and design for Additive Manufacturing (DfAM) techniques to design an efficient turbine component (i.e. a turbine tip shoe) with enhanced cooling features that can only be fabricated through additive manufacturing (AM). The efficiencies of existing combined heat and power (CHP) engines are capped by both component design and materials limitations. However, AM of a tip shoe component from a γ’strengthened superalloy offers the design flexibility to increase the efficiency and power of an industrial gas turbine. This project brought about advancements in the DfAM tip shoe design space and in the area of high temperature superalloys processable through laser powder bed fusion (LPBF) AM. State of art computation design tools were utilized to optimize unique cooling features into a tip shoe component design. A two-prong materials development approach was taken to support development of the AM tip shoe geometry. The first approach centered on investigating the processability and the appropriate process science for the industry standard high-γ’ nickel-base (Ni-base) superalloy Mar-M247. This superalloy is typically cast and considered non-weldable by traditional welding standards. In the course of this work, the alloy was not deemed feasible for process scale-up due to significant cracking issues during printing. The second approach focused on the development and evaluation of a novel cobalt-base superalloy, GammaPrint™-700 (GP-700 and a Ni-base superalloy, GammaPrint™-1100 (GP-1100) designed to mitigate the significant AM processing issues with Mar-M247. The processability of these two alloys were investigated through electron beam melting (EBM) binder-jet AM (BJAM), and LPBF as a risk mitigation for manufacturability. To be considered a candidate material for down-selection to proceed to full-scale AM tip shoe engine testing trials, the high temperature creep rupture strength was required to achieve at a minimum, a Larsen Miller Parameter (LMP) increase of 10.9% over the baseline material LPBF AM Hastelloy X.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Human factors and modeling methods in the development of control room modernization concepts - 315

Control room modernization is one of the most challenging and complex upgrade projects that a nuclear power plant can undertake. It can even have a bigger impact on operations than, for example, turbine replacement. The challenges of migrating an analog control system to a distributed control system are already well known and a number of nuclear utilities have embarked upon various levels of effort to upgrade some of the systems in the control room. When planning for control room upgrades, plants have to deal with a multitude of engineering and operational impacts. This will inevitably include several human factors considerations, including physical ergonomics of workstations, viewing angles, lighting, seating, new communication requirements, and new concepts of operation. In helping nuclear power utilities to deal with these challenges, the Idaho National Laboratory (INL) has developed human factors design and evaluation methods to be used in the development of an end-state control room concept and to manage the various phases of the upgrade life cycle. This included interactive sessions with operators in INL's Human System Simulation Laboratory, and three-dimensional modeling to visualize control board changes. To make the various upgrade phases as concrete and as visible as possible, the end-state concept includes a set of visual representations of the control room before and after various upgrade phases to provide the context and a framework within which to consider the various options in the upgrade. This includes the various control systems, human-system interfaces to be replaced, and possible changes to operator workstations. This paper describes how this framework helps to ensure an integrated and cohesive outcome that is consistent with human factors engineering principles and also provide substantial improvement in operator performance. The paper further describes the application of this integrated approach in the strategic modernization program at a nuclear power plant where legacy systems are upgraded to advanced digital technologies through a systematic process that links human factors principles to the systems engineering process. This approach results in an integrated control room architecture beyond what is possible for individual subsystem upgrades alone. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Dispersion-engineered χ(2) nanophotonics: a flexible tool for nonclassical light

Abstract This article reviews recent progress in quasi-phasematched χ ( 2 ) nonlinear nanophotonics, with a particular focus on dispersion-engineered nonlinear interactions. Throughout this article, we establish design rules for the bandwidth and interaction lengths of various nonlinear processes, and provide examples for how these processes can be engineered in nanophotonic devices. In particular, we apply these rules towards the design of sources of non-classical light and show that dispersion-engineered devices can outperform their conventional counterparts. Examples include ultra-broadband optical parametric amplification as a resource for measurement-based quantum computation, dispersion-engineered spontaneous parametric downconversion as a source of separable biphotons, and synchronously pumped nonlinear resonators as a potential route towards single-photon nonlinearities.

Jankowski, Marc (ORCID:0000000318457415)↗
DOE OSTI2021

Tailoring Cementitious Materials Towards Value-Added Use of Large CO 2 Volumes

Hydraulic cements with alternative chemistries were developed for large-volume and value-added use of carbon dioxide. The hydraulic cements were processed using the energy-efficient mechanochemical technique at room temperature and atmospheric pressure. Carbon dioxide was captured directly from combustion emissions during processing. For this purpose, mechanochemical processing of hydraulic cements was accomplished under a flow of combustion emissions prior to the release of emissions to the atmosphere. The process removed a significant fraction of carbon dioxide from combustion emissions. The hydraulic cements captured carbon dioxide at about 10% of their weight. Two hydraulic cement chemistries were developed, and their mechanochemical processing was successfully scaled-up. The characteristic feature of one chemistry was its relatively low (near-neutral) pH where the integration of carbon dioxide yielded clear value. The second cement chemistry was based on alkali activation of industrial wastes. This chemistry could make value-added use of carbon dioxide, but it had to be refined to control the pH drop caused by CO 2 integration. These two cements render binding effects upon hydration by forming a combination of stable carbonates and aluminosilicates or phosphates. Efforts to develop cement chemistries based solely on carbonates were not successful. The mechanochemical process was found to integrate carbon dioxide into the alternative cement chemistries in the form of disordered and metastable carbonates. During hydration reactions, the disordered/metastable carbonates are either transformed into stable carbonate phases with desired binding efforts, or carbonates get integrated into the primary inorganic binders (hydrates). When compared with mechanochemical processing in pure carbon dioxide, mechanochemical processing in combustion emissions produced hydraulic cements with improved engineering properties. The mechanochemical process was scaled-up, and its variables as well as the raw materials formulations were optimized for implementation at pilot scale. Scale-up was found to enhance the carbon capture potential and the engineering qualities of the resulting hydraulic cements. This was because scale-up raises the intensity of mechanical energy input to raw materials. Certain mechanochemical phenomena cannot be induced, irrespective of the cumulative mechanical energy input, unless the intensity of impact is raised above a minimum level that cannot be achieved in laboratory-scale implementation of the process. Due to this effect, the duration of the mechanochemical process as well as its energy demand could be reduced significantly (by an order of magnitude) upon transition from laboratory to pilot scale, with the hydraulic cements produced at pilot scale offering engineering properties that were superior to those realized in laboratory-scale mechanochemical processing. The hydraulic cements produced at pilot scale via mechanochemical processing under a flow of combustion emissions were thoroughly characterized. They were found to meet standard requirements for ‘General Use’ hydraulic cements. They were compatible with the industrial-scale concrete production and construction practices that are used with the currently prevalent hydraulic cements. The new hydraulic cements with integrated carbon dioxide were found to offer distinct advantages over the currently prevalent Portland cement in terms of net carbon footprint and energy content. The combined raw materials and energy costs of the new hydraulic cements are competitive, and major cost savings can be realized because of the simplified production process that significantly lowers the capital investment in cement production plants. Mechanochemical processing of the new hydraulic cements under a flow of combustion emissions can be implemented using some existing components of cement manufacturing plants; this facilitates adoption of the technology by the cement industry.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Synthesis of operable process intensification systems: advances and challenges

Process intensification (PI) has been gaining increasing momentum in the chemical engineering research community and the chemical/energy industry. While many PI alternative technologies and their conventional counterparts exist, systematic approaches and tools to decide on the most promising intensified process solutions are currently rather lacking. Process Systems Engineering (PSE) can contribute uniquely to this challenge by leveraging process synthesis, design, analysis, and optimization tools. However, key open questions in this area still remain, including: (i) how to efficiently address the combinatorial design space and systematically deliver intensified designs, and (ii) how to ensure the operablility performances of the derived intensified structures at an early design stage. Here, this paper provides a brief review of recent progress towards the synthesis of operable process intensification systems, highlights major challenges, and discusses future research opportunities.

42 ENGINEERING↗
DOE OSTI2018

Layered double hydroxides with atomic-scale defects for superior electrocatalysis

Atomic composition tuning and defect engineering are effective strategies to enhance the catalytic performance of multicomponent catalysts by improving the synergetic effect; however, it remains challenging to dramatically tune the active sites on multicomponent materials through simultaneous defect engineering at the atomic scale because of the similarities of the local environment. Here in this paper, using the oxygen evolution reaction (OER) as a probe reaction, we deliberately introduced base-soluble Zn(II) or Al(III) sites into NiFe layered double hydroxides(LDHs), which are one of the best OER catalysts. Then, the Zn(II) or Al(III) siteswere selectively etched to create atomic M(II)/M(III) defects, which dramatically enhanced the OER activity. At a current density of 20 mA·cm -2 , only 200 mV overpotential was required to generate M(II) defect-rich NiFe LDHs, which is the best NiFe-based OER catalyst reported to date. Density functional theory(DFT) calculations revealed that the creation of dangling Ni–Fe sites (i.e., unsaturated coordinated Ni–Fe sites) by defect engineering of a Ni–O–Fe site at the atomic scale efficiently lowers the Gibbs free energy of the oxygen evolution process. This defect engineering strategy provides new insights into catalysts at the atomic scale and should be beneficial for the design of a variety of catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Engineering Options Assessment Report: Nitrate Salt Waste Stream Processing

This report examines and assesses the available systems and facilities considered for carrying out remediation activities on remediated nitrate salt (RNS) and unremediated nitrate salt (UNS) waste containers at Los Alamos National Laboratory (LANL). The assessment includes a review of the waste streams consisting of 60 RNS, 29 aboveground UNS, and 79 candidate belowground UNS containers that may need remediation. The waste stream characteristics were examined along with the proposed treatment options identified in the Options Assessment Report . Two primary approaches were identified in the five candidate treatment options discussed in the Options Assessment Report: zeolite blending and cementation. Systems that could be used at LANL were examined for housing processing operations to remediate the RNS and UNS containers and for their viability to provide repackaging support for remaining LANL legacy waste.

42 ENGINEERING↗
DOE OSTI2014

Synthetic Biology: Engineering, Evolution and Design (SEED) Conference 2014

SEED2014 focused on advances in the science and technology emerging from the field of synthetic biology. We broadly define this as technologies that accelerate the process of genetic engineering. It highlighted new tool development, as well as the application of these tools to diverse problems in biotechnology, including therapeutics, industrial chemicals and fuels, natural products, and agriculture. Systems spanned from in vitro experiments and viruses, through diverse bacteria, to eukaryotes (yeast, mammalian cells, plants).

Voigt, Christopher↗
DOE OSTI2023

Graph-based Compact Modeling (GCM) of CMOS transistors for efficient parameter extraction: A machine learning approach

Parameter extraction of compact transistor models is an expensive process, heavily relying on engineering knowledge and experience. To automate such a process, we propose a novel approach, Graph-based Compact Model (GCM), that integrates physical modeling and data-driven learning. GCM utilizes Graph Neural Networks (GNNs) to establish the model structure, while retaining the physicality in compact models. Here, we implement our GCM in Verilog-A to support circuit simulations. As demonstrated with an academic 7 nm FinFET PDK, the new approach automatically generates a GCM model within a minute, and achieves excellent accuracy and efficiency in SPICE.

42 ENGINEERING↗
DOE OSTI2016

Fluidic Processing of High-Performance ZIF-8 Membranes on Polymeric Hollow Fibers: Mechanistic Insights and Microstructure Control

Recently, a methodology for fabricating polycrystalline metal-organic framework (MOF) membranes has been introduced – referred to as interfacial microfluidic membrane processing – which allows parallelizable fabrication of MOF membranes inside polymeric hollow fibers of microscopic diameter. Such hollow fiber membranes, when bundled together into modules, are an attractive way to scale molecular sieving membranes. The understanding and engineering of fluidic processing techniques for MOF membrane fabrication are in their infancy. Here in this work, a detailed mechanistic understanding of MOF (ZIF-8) membrane growth under microfluidic conditions in polyamide-imide hollow fibers is reported, without any intermediate steps (such as seeding or surface modification) or post-synthesis treatments. A key finding is that interfacial membrane formation in the hollow fiber occurs via an initial formation of two distinct layers and the subsequent rearrangement into a single layer. This understanding is used to show how nonisothermal processing allows fabrication of thinner (5 μm) ZIF-8 films for higher throughput, and furthermore how engineering the polymeric hollow fiber support microstructure allows control of defects in the ZIF-8 membranes. Finally, the performance of these engineered ZIF-8 membranes is then characterized, which have H 2 /C 3 H 8 and C 3 H 6 /C 3 H 8 mixture separation factors as high as 2018 and 65, respectively, and C 3 H 6 permeances as high as 66 GPU.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Addressing Human and Organizational Factors in Nuclear Industry Modernization: A Sociotechnically Based Strategic Framework

The modernization of nuclear power plants will require an advanced concept of operations, involving an integrated set of tightly coupled systems in which all stakeholders act in a coordinated manner. For this modernization effort to be enabled, we developed a human and organizational factors approach based on a broad sociotechnical framework. Starting from core human factors principles, we conducted a literature review of the methods and approaches relevant to the modernization problem. These included not only core disciplines such as cognitive systems engineering, systems theoretic accident modeling and processes, human systems integration, resilience engineering, and macroergonomics but also related topics of safety culture and organizational change. From this literature, we developed a conceptual framework centered around the work system with its four interacting components: people, technology, process, and governance. In an effective work system, these four components are jointly optimized according to three systems criteria: efficiency, effectiveness, and safety. System failure may result from excessive emphasis on any one criterion. The actual work of attaining joint optimization in a given work system can be accomplished by utilizing three high-level functions: knowledge elicitation, knowledge representation, and cross-functional integration. Finally, we illustrated the utility of this approach by applying it to practical problems and case studies.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Optimizing Perovskite Thin‐Film Parameter Spaces with Machine Learning‐Guided Robotic Platform for High‐Performance Perovskite Solar Cells

Abstract Simultaneously optimizing the processing parameters of functional thin films remains a challenge. The design and utilization of a fully automated platform called SPINBOT is presented for the engineering of solution‐processed functional thin films. The SPINBOT is capable of performing experiments with high sampling variability through the unsupervised processing of hundreds of substrates with exceptional experimental control. Through the iterative optimization process enabled by the Bayesian optimization (BO) algorithm, the SPINBOT explores an intricate parameter space, continuously improving the quality and reproducibility of the produced thin films. This machine learning (ML)‐guided reliable SPINBOT platform enables the acceleration of the optimization process of perovskite solar cells via a simple photoluminescence characterization of films. As a result, this study arrives at an optimal film that, when processed into a solar cell in an ambient atmosphere, immediately yields a champion power conversion efficiency (PCE) of 21.6% with satisfactory performance reproducibility. The unsealed devices retain 90% of their initial efficiency after 1100 h of continuous operation at 60–65 °C under metal‐halide lamps. It is anticipated that the integration of robotic platforms with the intelligent algorithm will facilitate the widespread adoption of effective autonomous experimentation to address the evolving needs and constraints within the materials science research community.

14 SOLAR ENERGY↗