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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 127 records · Page 7

Non-precious Metal Cathode Catalysts: CRADA Final Report

The stringent cost and performance targets of an automotive fuel cell required either a more active precious metal catalyst or a lower cost catalyst than the standard platinum catalyst. Non-precious metal catalysts (NPMCs) are a low cost alternative, but the oxygen reduction reaction activity required electrodes of unreasonable thickness to meet the performance targets. NPMCs also suffer from low durability in the acidic and oxidative environment of the fuel cell cathode. The goal of the collaboration between UTC Power Corporation (UTCP) and Los Alamos National Laboratory (LANL) was to increase the activity and durability of NPMCs to meet the needs of the automotive industry.

36 MATERIALS SCIENCE↗

Characterization of Oil and Gas Drill Cuttings for Critical Mineral Recovery and Reuse Potential as Soil Supplements

Expansion of unconventional oil and natural gas production over the last decade in the United States has resulted in record production of natural gas and oil in 2024. Millions of tons of drill cuttings generated from shale gas development are currently disposed of in landfills. Converting these cuttings into value product(s) such as critical minerals (CMs) and soil supplements, has the potential of reducing environmental impact of fossil fuel exploration. In this study we characterize the CM distribution and extractability from collected drill cuttings and core samples from major U.S. shale formations. A four-step sequential extraction, consisting of a sonicated soap step, sonicated EDTA step , mildly reducing agent, and a oxidizing agent, was developed to simultaneously extract CMs and convert the drill cuttings into soil supplements. Viability of converted drill cuttings as soil supplement was determined with a seedling growth experiment. Results show high concentrations of vanadium (V) (up to 1575 ppm, barite (up to 5 wt. %), and rare earth elements (REE) concentrations (up to 253 ppm). High extractability of selected critical minerals such as REE (19-50%) and Ba (10-58%) show promising results. Preliminary results show seedling growth in a mixture of converted drill cuttings with soil. These results show the potential for recovery of CMs from drill cuttings as an alternative domestic and the reduction of the environmental impact of fossil fuel production.

Barczok, Maximilian↗

Collaborative working is driving progress in hazard and risk reduction delivery at Sellafield - 16387

A new way of working has been adopted at the Sellafield site in the United Kingdom which is delivering benefits in terms of accelerating hazard and risk reduction safely and securely at the site. This new way of working involves a collaborative approach on crucial aspects of the plan of work for Sellafield between: - Sellafield Ltd (the site's management and operations contractor), - The Nuclear Decommissioning Authority (the site's owner and Sellafield Ltd's customer), - The Office for Nuclear Regulation (the UK's nuclear safety and security regulator), - The Environment Agency (England's environmental regulator), - The UK Government's Department of Energy and Climate Change, - The UK Government's Shareholder Executive, part of the Department of Business, Innovation and Skills. The new way of working is founded upon fully aligning the individual strategies of each of these six organisations towards the common goal of accelerated risk and hazard reduction and then ensuring good communications so these strategies remain fully aligned. To this end a number of issues were identified by the six organisations which were considered to be slowing the progress of the risk and hazard reduction work, from which a set of 'strategic themes' was developed to facilitate different ways of thinking and so solve these issues. The strategic themes are: - Looking for blockers and how they can be removed, - Avoiding overly complex solutions by utilising the concept of fit for purpose, - The effective use of resources, - Prioritisation arrangements, - Incentivisation, - The appetite for risk, - Avoiding distractions and diversions, - Effective use of communications so that the more effective and efficient ways of working, and the improvements that are generated, are promulgated throughout Sellafield Ltd. These strategic themes have been applied with great effect in a number of areas delivering risk reduction benefits. For example: - The removal of ageing fuel from Sellafield's oldest pond, the Pile Fuel Storage Pond; a significant milestone in the site's hazard and risk reduction agenda. - Implementing an alternative ILW approach. - Managing stocks of Highly Active Liquor (HAL). - 'Re-purposing' existing Waste Management Facilities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Machine learning-based ethylene concentration estimation, real-time optimization and feedback control of an experimental electrochemical reactor

With the increase in electricity supply from clean energy sources, electrochemical reduction of carbon dioxide (CO 2 ) has received increasing attention as an alternative source of carbon-based fuels. As CO 2 reduction is becoming a stronger alternative for the clean production of chemicals, the need to model, optimize and control the electrochemical reduction of the CO 2 process becomes inevitable. However, on one hand, a first-principles model to represent the electrochemical CO 2 reduction has not been fully developed yet because of the complexity of its reaction mechanism, which makes it challenging to define a precise state-space model for the control system. On the other hand, the unavailability of efficient concentration measurement sensors continues to challenge our ability to develop feedback control systems. Gas chromatography (GC) is the most common equipment for monitoring the gas product composition, but it requires a period of time to analyze the sample, which means that GC can provide only delayed measurements during the operation. Moreover, the electrochemical CO 2 reduction process is catalyzed by a fast-deactivating copper catalyst and undergoes a selectivity shift from the product-of-interest at the later stages of experiments, which can pose a challenge for conventional control methods. To this end, machine learning (ML) techniques provide a potential approach to overcome those difficulties due to their demonstrated ability to capture the dynamic behavior of a chemical process from data. Motivated by the above considerations, we propose a machine learning-based modeling methodology that integrates support vector regression and first-principles modeling to capture the dynamic behavior of an experimental electrochemical reactor; this model, together with limited gas chromatography measurements, is employed to predict the evolution of gas-phase ethylene concentration. The model prediction is directly used in a proportional-integral (PI) controller that manipulates the applied potential to regulate the gas-phase ethylene concentration at energy-optimal set-point values computed by a real-time process optimizer (RTO). Specifically, the RTO calculates the operation set-point by solving an optimization problem to maximize the economic benefit of the reactor. Finally, suitable compensation methods are introduced to further account for the experimental uncertainties and handle catalyst deactivation. The proposed modeling, optimization, and control approaches are the first demonstration of active control for a CO 2 electrolyzer and contribute to the automation and scale-up efforts for electrified manufacturing of fuels and chemicals starting from CO 2 .

42 ENGINEERING↗

Reduction of water content in calcium aluminate cement with/out phosphate modification for alternative cementation technique

Cementation of the secondary aqueous wastes from TEPCO Fukushima Daiichi Nuclear Power Plant is challenging due to the significant strontium content and radioactivity, leading to a potential risk of hydrogen gas generation via radiolysis of water content. The present study investigates the reduction of water content in calcium aluminate cement (CAC) with/out phosphate modification by a heat-treatment during the solidification. The reduction of water in the CAC was found restricted by the rapid formation of crystalline hydration phases, whereas the phosphate-modified system allowed the gradual reduction of water, achieving the reduction of 60% water content at 95 °C. Curing at 60–95 °C also eliminated the significant cracks found at 35 °C in the phosphate system. The possible difference in the amorphous products, NaCaPO{sub 4}·nH{sub 2}O type at 35°C and Ca(HPO{sub 4})·xH{sub 2}O type at 60–95 °C, may have contributed to the improvement in the microstructure together with the change in the pore size distribution.

36 MATERIALS SCIENCE↗

Cost-Effectiveness of Home Energy Retrofits in Pre-Code Vintage Homes in the United States

This analytical study examines the opportunities for cost-effective energy efficiency and renewable energy retrofits in residential archetypes constructed prior to 1980 (Pre-Code) in fourteen U.S. cities. These fourteen cities are representative of each of the International Energy Conservation Code (IECC) climate zones in the contiguous U.S. The analysis is conducted using an in-house version of EnergyGauge USA v.2.8.05 named CostOpt that has been programmed to perform iterative, incremental economic optimization on a large list of residential energy efficiency and renewable energy retrofit measures. The principle objectives of the study are as follows: to determine the opportunities for cost effective source energy reductions in this large cohort of existing residential building stock as a function of local climate and energy costs; and to examine how retrofit financing alternatives impact the source energy reductions that are cost effectively achievable.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Cost Effectiveness of Home Energy Retrofits in Pre-Code Vintage Homes in the United States

This analytical study examines the opportunities for cost-effective energy efficiency and renewable energy retrofits in residential archetypes constructed prior to 1980 (Pre-Code) in fourteen U.S. cities. These fourteen cities are representative of each of the International Energy Conservation Code (IECC) climate zones in the contiguous United States. The analysis is conducted using an in-house version of EnergyGauge USA v.2.8.05 named CostOpt that has been programmed to perform iterative, incremental economic optimization on a large list of residential energy efficiency and renewable energy retrofit measures. The principle objectives of the study are to determine the opportunities for cost effective source energy reductions in this large cohort of existing residential building stock as a function of local climate and energy costs; and to examine how retrofit financing alternatives impact the source energy reductions that are cost effectively achievable.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts

Single-atom catalysts have recently emerged as promising low-cost alternatives to Pt for the oxygen reduction reaction (ORR). Given the unique properties that distinguish these systems from traditional transition-metal electrocatalysts, it is essential to benchmark and establish appropriate computational approaches to study these novel materials. Herein, we employ multiple levels of theory, including wave function methods, density functional theory (DFT), and classical simulations, to investigate Cu-modified covalent triazine framework catalysts (Cu/CTF). We consider three major aspects of treating this system computationally. First, we present a step-wise approach to predict the ORR mechanism and adsorbate coverages on Cu/CTF. We then benchmark various DFT methods to coupled-cluster theory with the domain-based local pair natural orbital approximation, which indicates that HSE06 and PBE0 hybrid functionals most accurately describe the adsorption energies of ORR adsorbates on Cu/CTF. We finally employ thermodynamic integration and other techniques to consider solvation effects, which play significant roles in predicting the energies of reaction intermediates and the overall ORR pathway. Lastly, our findings indicate that accurate descriptions of both the electronic structure and solvation are necessary to understand the ORR activity of Cu/CTF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Life Cycle Costing in Radioactive Waste Packaging: Reducing Costs Whilst Accelerating Clean-Up - 16131

In recognition of the high up-front costs and potentially long timescales to implement the more traditional methods of encapsulating wastes, in the UK alternative approaches to help accelerate hazard reduction and reduce such costs are being deployed. When considering such the cost of alternative approaches to waste packaging strategies, it is important that the complete waste life cycle is taken into account. This paper will demonstrate that when evaluating waste packaging options, whilst individual elements (e.g. container costs) within an overall waste management programme may appear to offer a cost benefit by comparison with alternatives, the programme as a whole may not necessarily be the most cost effective solution when life cycle costs are taken into account, or when other technical issues are considered. To illustrate this point this paper will present a view of the application of LCC, utilising a number of waste packaging scenarios, to promote discussion and consideration of the benefits of undertaking a holistic assessment of the investment decision as part of an overall waste management strategy. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Superconducting Nd 1- x Eu x NiO 2 thin films using in situ synthesis

We report on superconductivity in Nd 1-x Eu x NiO 2 using Eu as a 4f dopant of the parent NdNiO 2 infinite-layer compound. We use an all–in situ molecular beam epitaxy reduction process to achieve the superconducting phase, providing an alternate method to the ex situ CaH 2 reduction process to induce superconductivity in the infinite-layer nickelates. The Nd 1-x Eu x NiO 2 samples exhibit a step-terrace structure on their surfaces, have a T c onset of 21 K at x = 0.25, and have a large upper critical field that may be related to Eu 4f doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Biofuel Options for Marine Applications: Technoeconomic and Life-Cycle Analyses

This study performed technoeconomic and life-cycle analyses to assess the economic feasibility and emission benefits and tradeoffs of various biofuel production pathways as an alternative to conventional marine fuels. We analyzed production pathways for (1) Fischer-Tropsch diesel from biomass and cofeeding biomass with natural gas or coal, (2) renewable diesel via hydroprocessed esters and fatty acids from yellow grease and cofeeding yellow grease with heavy oil, and (3) bio-oil via fast pyrolysis of low-ash woody feedstock. We also developed a new version of the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) marine fuel module for the estimation of life-cycle greenhouse gas (GHG) and criteria air pollutant (CAP) emissions of conventional and biobased marine fuels. The alternative fuels considered have a minimum fuel selling price between 2.36 and 4.58 $/heavy fuel oil gallon equivalent (HFOGE), and all exhibit improved life-cycle GHG emissions compared to heavy fuel oil (HFO), with reductions ranging from 40 to 93%. The alternative fuels also exhibit reductions in sulfur oxides and particulate matter emissions. Additionally, when compared with marine gas oil and liquified natural gas, they perform favorably across most emission categories except for cases where carbon and sulfur emissions are increased by the cofed fossil feedstocks. The pyrolysis bio-oil offers the most promising marginal CO2 abatement cost at less than $100/tonne CO2e for HFO prices >$1.09/HFOGE followed by Fischer-Tropsch diesel from biomass and natural gas pathways, which fall below $100/tonne CO2e for HFO prices >$2.25/HFOGE. Pathways that cofeed fossil feedstocks with biomass do not perform as well for marginal CO2 abatement cost, particularly at low HFO prices. This study indicates that biofuels could be a cost-effective means of reducing GHG, sulfur oxide, and particulate matter emissions from the maritime shipping industry and that cofeeding biomass with natural gas could be a practical approach to smooth a transition to biofuels by reducing alternative fuel costs while still lowering GHG emissions, although marginal CO2 abatement costs are less favorable for the fossil cofeed pathways.

Greenhouse gas, life cycle assessment, techno-econ↗

Balancing energy conservation and occupant needs in ventilation rate standards for Big Box stores and other commercial buildings in California. Issues related to the ASHRAE 62.1 Indoor Air Quality Procedure

This report considers the question of whether the California Energy Commission should incorporate the ASHRAE 62.1 ventilation standard into the Title 24 ventilation rate (VR) standards, thus allowing buildings to follow the Indoor Air Quality Procedure. This, in contrast to the current prescriptive standard, allows the option of using ventilation rate as one of several strategies, which might include source reduction and air cleaning, to meet specified targets of indoor air concentrations and occupant acceptability. The research findings reviewed in this report suggest that a revised approach to a ventilation standard for commercial buildings is necessary, because the current prescriptive ASHRAE 62.1 Ventilation Rate Procedure (VRP) apparently does not provide occupants with either sufficiently acceptable or sufficiently healthprotective air quality. One possible solution would be a dramatic increase in the minimum ventilation rates (VRs) prescribed by a VRP. This solution, however, is not feasible for at least three reasons: the current need to reduce energy use rather than increase it further, the problem of polluted outdoor air in many cities, and the apparent limited ability of increasing VRs to reduce all indoor airborne contaminants of concern (per Hodgson (2003)). Any feasible solution is thus likely to include methods of pollutant reduction other than increased outdoor air ventilation; e.g., source reduction or air cleaning. The alternative 62.1 Indoor Air Quality Procedure (IAQP) offers multiple possible benefits in this direction over the VRP, but seems too limited by insufficient specifications and inadequate available data to provide adequate protection for occupants. Ventilation system designers rarely choose to use it, finding it too arbitrary and requiring use of much non-engineering judgment and information that is not readily available. This report suggests strategies to revise the current ASHRAE IAQP to reduce its current limitations. These strategies, however, would make it more complex and more prescriptive, and would require substantial research. One practical intermediate strategy to save energy would be an alternate VRP, allowing VRs lower than currently prescribed, as long as indoor VOC concentrations were no higher than with VRs prescribed under the current VRP. This kind of hybrid, with source reduction and use of air cleaning optional but permitted, could eventually evolve, as data, materials, and air-cleaning technology allowed gradual lowering of allowable concentrations, into a fully developed IAQP. Ultimately, it seems that VR standards must evolve to resemble the IAQP, especially in California, where buildings must achieve zero net energy use within 20 years.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Clean Cities Now: Vol. 18, No. 1, Spring 2014 (Newsletter)

Spring 2014 edition of the biannual newsletter of the U.S. Department of Energy's Clean Cities program. Each issue contains program news, success stories, and information about tools and resources to assist in the deployment of alternative fuels, advanced vehicles, idle reduction, fuel efficiency improvements, and other measures to cut petroleum use in transportation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Building Partnerships to Cut Petroleum Use in Transportation

The U.S. Department of Energy's Clean Cities initiative advances the nation's economic, environmental, and energy security by supporting local actions to cut petroleum use in transportation. Clean Cities accomplishes this work through the activities of nearly 100 local coalitions. These coalitions provide resources and technical assistance in the deployment of alternative and renewable fuels, idle-reduction measures, fuel economy improvements, and new transportation technologies as they emerge.

advanced vehicles, alternative fuel vehicles↗

Clean Cities 2012 Annual Metrics Report

The U.S. Department of Energy's (DOE) Clean Cities program advances the nation's economic, environmental, and energy security by supporting local actions to cut petroleum use in transportation. A national network of nearly 100 Clean Cities coalitions brings together stakeholders in the public and private sectors to deploy alternative and renewable fuels, idle-reduction measures, fuel economy improvements, and new transportation technologies, as they emerge. Each year DOE asks Clean Cities coordinators to submit annual reports of their activities and accomplishments for the previous calendar year. Data and information are submitted via an online database that is maintained as part of the Alternative Fuels Data Center (AFDC) at the National Renewable Energy Laboratory (NREL). Coordinators submit a range of data that characterizes the membership, funding, projects, and activities of their coalitions. They also submit data about sales of alternative fuels, deployment of alternative fuel vehicles (AFVs) and hybrid electric vehicles (HEVs), idle-reduction initiatives, fuel economy activities, and programs to reduce vehicle miles traveled (VMT). NREL analyzes the data and translates them into petroleum-use reduction impacts, which are summarized in this report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Computable general equilibrium model fiscal year 2013 capability development report

This report documents progress made on continued developments of the National Infrastructure Simulation and Analysis Center (NISAC) Computable General Equilibrium Model (NCGEM), developed in fiscal year 2012. In fiscal year 2013, NISAC the treatment of the labor market and tests performed with the model to examine the properties of the solutions computed by the model. To examine these, developers conducted a series of 20 simulations for 20 U.S. States. Each of these simulations compared an economic baseline simulation with an alternative simulation that assumed a 20-percent reduction in overall factor productivity in the manufacturing industries of each State. Differences in the simulation results between the baseline and alternative simulations capture the economic impact of the reduction in factor productivity. While not every State is affected in precisely the same way, the reduction in manufacturing industry productivity negatively affects the manufacturing industries in each State to an extent proportional to the reduction in overall factor productivity. Moreover, overall economic activity decreases when manufacturing sector productivity is reduced. Developers ran two additional simulations: (1) a version of the model for the State of Michigan, with manufacturing divided into two sub-industries (automobile and other vehicle manufacturing as one sub-industry and the rest of manufacturing as the other subindustry); and (2) a version of the model for the United States, divided into 30 industries. NISAC conducted these simulations to illustrate the flexibility of industry definitions in NCGEM and to examine the simulation properties of in more detail.

97 MATHEMATICS AND COMPUTING↗

Computable General Equilibrium Model Fiscal Year 2013 Capability Development Report - April 2014

This report documents progress made on continued developments of the National Infrastructure Simulation and Analysis Center (NISAC) Computable General Equilibrium Model (NCGEM), developed in fiscal year 2012. In fiscal year 2013, NISAC the treatment of the labor market and tests performed with the model to examine the properties of the solutions computed by the model. To examine these, developers conducted a series of 20 simulations for 20 U.S. States. Each of these simulations compared an economic baseline simulation with an alternative simulation that assumed a 20-percent reduction in overall factor productivity in the manufacturing industries of each State. Differences in the simulation results between the baseline and alternative simulations capture the economic impact of the reduction in factor productivity. While not every State is affected in precisely the same way, the reduction in manufacturing industry productivity negatively affects the manufacturing industries in each State to an extent proportional to the reduction in overall factor productivity. Moreover, overall economic activity decreases when manufacturing sector productivity is reduced. Developers ran two additional simulations: (1) a version of the model for the State of Michigan, with manufacturing divided into two sub-industries (automobile and other vehicle manufacturing as one sub-industry and the rest of manufacturing as the other subindustry); and (2) a version of the model for the United States, divided into 30 industries. NISAC conducted these simulations to illustrate the flexibility of industry definitions in NCGEM and to examine the simulation properties of in more detail.

97 MATHEMATICS AND COMPUTING↗

Increased light-emission efficiency in disordered (In, Ga)N through the correlated reduction of recombination rates

Experiments have shown that the light-emission efficiency of indium gallium nitride (InGaN) lightemitting diodes improves with increasing indium concentration. It is widely thought that compositional fluctuations due to indium incorporation suppress diffusion of carriers to non-radiative centers, thus leading to defect-insensitive emission. However, recent experiments have challenged this hypothesis by revealing unexpectedly long diffusion lengths at room temperature. Here, we demonstrate an alternative mechanism involving the correlated reduction in radiative and nonradiative recombination rates that explains the increase in light-emission efficiency of InGaN with increasing indium concentration, without invoking the suppression of carrier diffusion. Furthermore, our analysis challenges the notion that carrier localization gives rise to defect tolerance in InGaN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗