SEARCH · Engineering Papers

Results for “Energy Transition Initiative”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 793 records · Page 44

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Solvent Effects on Catalytic Reactions and Related Phenomena at Liquid-Solid Interfaces

Catalytic reactions involve the direct interaction of reactants, intermediates and products with the catalyst surface. We not only need to control the atomic structure and electronic properties of the active site, but also explore the multiple molecular interactions that occur beyond the active site; they play an essential role in altering the binding and reactivity of surface species. In liquid-phase catalysis, solvents provide additional degrees of freedom in the design of the catalytic process for desirable activity and selectivity. Here, the multi-faceted effects of solvents have a profound impact on the catalyst performance by restricting the mass transfer to the site, tuning the chemical potential of the surface species, competing for active sites, stabilizing the initial and transition states, and causing mechanistic changes by participating in the kinetically relevant elementary steps. This review addresses the different aspects of solvent effects, using a few prototype solid-liquid interfaces to illustrate these fundamental features. Recent experimental and computational studies that provide new insight at the molecular level are examined. Solvent structures in the proximity of the catalyst surface are discussed along with their influence in molecular binding and reaction at the solid-liquid interfaces. Furthermore, opportunities to alter such a solid-liquid interaction by tuning the wettability of the catalyst surfaces are explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Towaoc Housing Solar Initiative

The Towaoc Housing Solar initiative was implemented to install net-metered solar generation systems on twenty-three Tribal buildings in Towoac, CO on the Ute Mountain Ute Reservation. The project was funded 80% by Department of Energy and 20% by the Ute Mountain Ute Tribe. The project and grant are authorized by Ute Mountain Ute Tribal Council Resolution 2020-116. The systems were designed to cumulatively generate 160 direct current (DC) kilowatts on average, translating to 222,585 kilowatt hours per year. The average cost for the generation was calculated at $\$$3.34/watt with a return on investment period anticipated at 22 years for a simple payback of all costs, 11 years for the Tribe’s investment at 50% cost-share. The systems should last for 30 years. The primary goals of the project for the Tribe were identified as the reduction of electricity costs for the twenty three Tribal buildings of the Housing Authority (comprising 22 rental homes and a small apartment building with 11 units) and the reduction of carbon pollution through the transition of energy sources used in the buildings.

14 SOLAR ENERGY↗

NASA NTRS2011

Small, Fast TES Microcalorimeters with Unprecedented X-ray Spectral Performance

Driven initially by the desire for X-ray microcalorimeter arrays suitable for imaging the dynamic solar corona, we have developed a transition-edge-sensor (TES) microcalorimeter optimization that exhibits a unique combination of high spectral resolving power and a wide X-ray bandpass. These devices have achieved spectral performance of dE approximately 1.3 eV FWHM at 1.5 keV, 1.6 eV at 6 keV, and 2.0 eV at 8 keV, using small TESs (e.g., approximately 35 micron x 35 micron) that operate in a regime in which the superconducting transition is highly current dependent. In order to accommodate high X-ray count rates, the devices sit directly on a solid substrate instead of on membranes, and we use an embedded heatsinking layer to reduce pixel-to-pixel crosstalk. We will present results from devices with a range of TES and absorber sizes, and from device wafers with varied embedded heatsink materials. This contribution will focus on count-rate capabilities, including a discussion of the trade-off between count rate and energy resolution, and the heatsinking design. We will also present preliminary tests of array readout using a code-division multiplexed SQUID readout scheme, which may be necessary to enable large arrays of these fast devices.

Eckart, M. E.↗

DOE OSTI2020

High-burnup Experiments in Reactivity Initiated Accidents (HERA)

HERA is a joint experimental program (JEEP) operating within the Nuclear Energy Agency’s (NEA’s) framework for irradiation experiments (FIDES). HERA is dedicated to the understanding of light water reactor (LWR) fuel performance at high burnup under reactivity-initiated accidents (RIA). During RIAs the fuel cladding can be breached by one of two mechanisms; pellet-cladding mechanical interaction or high temperature balloon and rupture. Pellet-cladding mechanical interaction (PCMI) failure occurs in the early phase of an RIA transient where the fuel pellet expands rapidly into the cladding prior to any meaningful heat transfer from the pellet to the cladding. This results in high stresses in the cladding resulting in crack propagation through the base Zircaloy metal and axially along the cladding tube. Failure by PCMI is a brittle failure mode and occurs at low cladding strains, approximately 2% hoop strain. If the cladding survives the PCMI phase of the transient, it may still fail due to ballooning and rupture induced by extended exposure to high temperature. Thermal transport from the fuel pin to the coolant is significantly reduced if a transition to film boiling on the cladding surface occurs. This result in both a rapid increase in fuel temperature, which drives fission gas release, and a spike in cladding temperature, which results in loss of mechanical strength. If the internal pressure of the fuel rod is greater than the system pressure the cladding can inelastically deform and eventually rupture. Failure by swelling and rupture occurs at larger strains, generally greater than 5% hoop strain. While PCMI failures are generally seen as more limiting, the dominance of one failure mode over the other can be affected by both the cladding material conditions, and the transient evolution.

(HERA)↗

DOE OSTI2023

High-burnup Experiments in Reactivity Initiated Accidents (HERA)

(HERA)↗

DOE OSTI2023

New thermal decomposition pathway for TATB

Abstract Understanding the thermal decomposition behavior of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) is a major focus in energetic materials research because of safety issues. Previous research and modelling efforts have suggested benzo-monofurazan condensation producing H 2 O is the initiating decomposition step. However, early evolving CO 2 (m/z 44) along with H 2 O (m/z 18) evolution have been observed by mass spectrometric monitoring of head-space gases in both constant heating rate and isothermal decomposition studies. The source of the CO 2 has not been explained, until now. With the recent successful synthesis of 13 C 6 -TATB ( 13 C incorporated into the benzene ring), the same experiments have been used to show the source of the CO 2 is the early breakdown of the TATB ring, not adventitious C from impurities and/or adsorbed CO 2 . A shift in mass m/z 44 (CO 2 ) to m/z 45 is observed throughout the decomposition process indicating the isotopically labeled 13 C ring breakdown occurs at the onset of thermal decomposition along with furazan formation. Partially labeled (N 18 O 2 ) 3 -TATB confirms at least some of the oxygen comes from the nitro-groups. This finding has a significant bearing on decomposition computational models for prediction of energy release and deflagration to detonation transitions, with respect to conditions which currently do not recognize this oxidation step.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Harmonization of global land use change and management for the period 850–2100 (LUH2) for CMIP6

Abstract. Human land use activities have resulted in large changes to the biogeochemical and biophysical properties of the Earth's surface, with consequences for climate and other ecosystem services. In the future, land use activities are likely to expand and/or intensify further to meet growing demands for food, fiber, and energy. As part of the World Climate Research Program Coupled Model Intercomparison Project (CMIP6), the international community has developed the next generation of advanced Earth system models (ESMs) to estimate the combined effects of human activities (e.g., land use and fossil fuel emissions) on the carbon–climate system. A new set of historical data based on the History of the Global Environment database (HYDE), and multiple alternative scenarios of the future (2015–2100) from Integrated Assessment Model (IAM) teams, is required as input for these models. With most ESM simulations for CMIP6 now completed, it is important to document the land use patterns used by those simulations. Here we present results from the Land-Use Harmonization 2 (LUH2) project, which smoothly connects updated historical reconstructions of land use with eight new future projections in the format required for ESMs. The harmonization strategy estimates the fractional land use patterns, underlying land use transitions, key agricultural management information, and resulting secondary lands annually, while minimizing the differences between the end of the historical reconstruction and IAM initial conditions and preserving changes depicted by the IAMs in the future. The new approach builds on a similar effort from CMIP5 and is now provided at higher resolution (0.25∘×0.25∘) over a longer time domain (850–2100, with extensions to 2300) with more detail (including multiple crop and pasture types and associated management practices) using more input datasets (including Landsat remote sensing data) and updated algorithms (wood harvest and shifting cultivation); it is assessed via a new diagnostic package. The new LUH2 products contain > 50 times the information content of the datasets used in CMIP5 and are designed to enable new and improved estimates of the combined effects of land use on the global carbon–climate system.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

Harmonization of global land use change and management for the period 850–2100 (LUH2) for CMIP6

Human land use activities have resulted in large changes to the biogeochemical and biophysical properties of the Earth's surface, with consequences for climate and other ecosystem services. In the future, land use activities are likely to expand and/or intensify further to meet growing demands for food, fiber, and energy. As part of the World Climate Research Program Coupled Model Intercomparison Project (CMIP6), the international community has developed the next generation of advanced Earth system models (ESMs) to estimate the combined effects of human activities (e.g., land use and fossil fuel emissions) on the carbon–climate system. A new set of historical data based on the History of the Global Environment database (HYDE), and multiple alternative scenarios of the future (2015–2100) from Integrated Assessment Model (IAM) teams, is required as input for these models. With most ESM simulations for CMIP6 now completed, it is important to document the land use patterns used by those simulations. Here we present results from the Land-Use Harmonization 2 (LUH2) project, which smoothly connects updated historical reconstructions of land use with eight new future projections in the format required for ESMs. The harmonization strategy estimates the fractional land use patterns, underlying land use transitions, key agricultural management information, and resulting secondary lands annually, while minimizing the differences between the end of the historical reconstruction and IAM initial conditions and preserving changes depicted by the IAMs in the future. The new approach builds on a similar effort from CMIP5 and is now provided at higher resolution (0.25°×0.25°) over a longer time domain (850–2100, with extensions to 2300) with more detail (including multiple crop and pasture types and associated management practices) using more input datasets (including Landsat remote sensing data) and updated algorithms (wood harvest and shifting cultivation); it is assessed via a new diagnostic package. The new LUH2 products contain > 50 times the information content of the datasets used in CMIP5 and are designed to enable new and improved estimates of the combined effects of land use on the global carbon–climate system.

land use land cover change↗

NASA NTRS1986

Combustion characteristics in the transition region of liquid fuel sprays

A number of important effects have been observed in the droplet size transition region in spray combustion systems. In this region, where the mechanism of flame propagation is transformed from diffusive to premixed dominated combustion, the following effects have been observed: (1) maxima in burning velocity; (2) extension of flammability limits; (3) minima in ignition energy; and (4) minima in NOx formation. A monodisperse aerosol generator has been used to form and deliver a well controlled liquid fuel spray to the combustion test section where measurements of ignition energy have been made. The ignition studies were performed on monodisperse n-heptane sprays at atmospheric pressure over a range of equivalence ratios and droplet diameters. A capacitive discharge spark ignition system was used as the ignition source, providing independent control of spark energy and duration. Preliminary measurements were made to optimize spark duration and spark gap, optimum conditions being those at which the maximum frequency or probability of ignition was observed. Using the optimum electrode spacing and spark duration, the frequency of ignition was determined as a function of spark energy for three overall equivalence ratios (0.6, 0.8, and 1.0) and for initial droplet diameters of 25, 40, 50, 60, and 70 micro m.

Cernansky, N. P.↗

NASA NTRS1986

The energy balance of plasmoids in the solar atmosphere

The properties of an isolated magnetized plasmoid in a nonuniform magnetic field such as arises in stellar atmospheres are studied. The work of Pneuman and Cargill (1985) on the so-called melon-seed effect is extended to include an equation describing the energy balance, so giving a unified picture of the shape, motion, and energetics of the plasmoid. Three treatments of plasmoid energy balance are considered: (1) a polytropic law, (P = about N to the gamma); (2) one in which the plasmoid cools radiatively; and (3) one in which a heating function proportional to the local density balances the radiation. For a gamma = 4/3 polytrope the evolution is self-similar, so that the plasmoid maintains its shape as it moves out from the stellar surface. If gamma is less than 4/3, the final shape is a long thin cigar-shaped body, whereas if gamma is greater than or equal to 4/3, it ultimately becomes self-similar. In cases with radiation and also with heating, the ultimate shape of the plasmoid is determined by whether its gas or magnetic pressure dominate. The former is equivalent to the gamma-less-than-4/3 polytrope, and the latter to the gamma-greater-than-4/3 one. If radiation alone is present, the plasmoid cools rapidly and subsequently evolves self-similarly. If heating balances radiation initially, then the plasmoid heats up as it moves out, but, if the ratio of the transit of time of Alfven waves across it is much less than the radiative cooling time, it ultimately evolves as a gamma = 5/3 polytrope. In each case the plasmoid can be ejected to large distances (several radii) in a stellar atmosphere, for a reasonable choice of surface parameters.

Cargill, P. J.↗

DOE OSTI2021

Impact of Charge Voltage on Factors Influencing Capacity Fade in Layered NMC622: Multimodal X-ray and Electrochemical Characterization

Ni-rich NMC is an attractive Li-ion battery cathode due to its combination of energy density, thermal stability, and reversibility. While higher delivered energy density can be achieved with a more positive charge voltage limit, this approach compromises sustained reversibility. Improved understanding of the local and bulk structural transformations as a function of charge voltage, and their associated impacts on capacity fade are critically needed. Through simultaneous operando synchrotron X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) of cells cycled at 3–4.3 or 3–4.7 V, this study presents an in-depth investigation into the effects of voltage window on local coordination, bulk structure, and oxidation state. These measurements are complemented by ex situ X-ray fluorescence (XRF) mapping and scanning electrochemical microscopy mapping (SECM) of the negative electrode, X-ray photoelectron spectroscopy (XPS) of the positive electrode, and cell level electrochemical impedance spectroscopy (EIS). Initially, cycling between 3 and 4.7 V leads to greater delivered capacity due to greater lithium extraction, accompanied by increased structural distortion, moderately higher Ni oxidation, and substantially higher Co oxidation. Continued cycling at this high voltage results in suppressed Ni and Co redox, greater structural distortion, increased levels of transition metal dissolution, higher cell impedance, and 3× greater capacity fade.

capacity fading mechanisms↗

DOE OSTI2020

Photoinduced phase separation in the lead halides is a polaronic effect

We present a perspective on recent observations of the photoinduced phase separation of halides in multi-component lead-halide perovskites. The spontaneous phase separation of an initial homogeneous solid solution under steady-state illumination conditions is found experimentally to be reversible, stochastic, weakly dependent on morphology, yet strongly dependent on composition and thermodynamic state. Regions enriched in a specific halide species that form upon phase separation are self-limiting in size, pinned to specific compositions, and grow in number in proportion to the steady-state carrier concentration until saturation. These empirical observations of robustness rule out explanations based on specific defect structures and point to the local modulation of an existing miscibility phase transition in the presence of excess charge carriers. A model for rationalizing existing observations based on the coupling between composition, strain, and charge density fluctuations through the formation of polarons is reviewed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Inactive Overhang in Silicon Anodes

Li-ion batteries contain excess anode area to improve manufacturability and prevent Li plating. These overhang areas in graphite electrodes are active but experience decreased Li + flux during cycling. Over time, the overhang and the anode portions directly opposite to the cathode can exchange Li + , driven by differences in local electrical potential across the electrode, which artificially inflates or decreases the measured cell capacity. Here, we show that lithiation of the overhang is less likely to happen in silicon anodes paired with layered oxide cathodes. The large voltage hysteresis of silicon creates a lower driving force for Li + exchange as lithium ions transit into the overhang, rendering this exchange highly inefficient. For crystalline Si particles, Li + storage at the overhang is prohibitive, because the low potential required for the initial lithiation can act as thermodynamic barrier for this exchange. We use micro-Raman spectroscopy to demonstrate that crystalline Si particles at the overhang are never lithiated even after cell storage at 45 °C for four months. Because the anode overhang can affect the forecasting of cell life, cells using silicon anodes may require different methodologies for life estimation compared to those used for traditional graphite-based Li-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2021

Cyber-Informed Engineering Case Study of an Integrated Hydrogen Generation Plant

Strategies for securing digital instrumentation and control (I&C) systems within the nuclear industry are provided by multiple standards and guidance documents. However, since selection and use of security controls outlined in these documents are frequently only considered during or after installation, there are often limitations on their use, such as technological constraints related to design or operation. Furthermore, alternative controls intended to provide the same or similar security countermeasure as the primary control may also be infeasible at these stages, leaving the I&C system vulnerable to cyber-attacks. The limitations associated with ‘bolting on’ security controls late in the systems engineering lifecycle can be reduced by integrating Cyber-Informed Engineering (CIE) into the process. This paper evaluates the use of CIE during the high-level design stage of a hydrogen generation project where heat and electricity are provided by a nuclear power plant. Applying CIE to this project highlighted potential cyber vulnerabilities of the initial design, leading to recommendations for process flow and I&C system design modifications to reduce, and at times eliminate, the risk from both deliberate and unintentional cyber incidents.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Electron-Beam-Induced Molecular Plasmon Excitation and Energy Transfer in Silver Molecular Nanowires

In this work, we investigate (1) electron-beam-induced plasmon absorption spectra of Ag molecular nanowire dimers and (2) electron-beam-induced energy transfer between two nanowires. We employ linear-response time-dependent density functional theory (TDDFT) and real-time TDDFT methods to simulate the electron-beam-induced plasmonic excitations, dynamics, and corresponding electron energy loss spectrum for small models of a single molecular nanowire with four Ag atoms and for two Ag nanowires. An array of different relative orientations of nanowires and of different initial excitation conditions resulting from applying an electron beam at different positions with respect to the Ag nanowires is investigated. The results demonstrate (1) an electron beam can induce plasmonic excitations from the molecular Ag nanowire ground state to the excited states that are both optically allowed and forbidden, (2) a tunability for selective excitations that can be controlled by the position of a focused electron beam, and (3) kinetic and dynamic behaviors of time-dependent electron-beam-induced energy transfer between two Ag molecular nanowires depend on the position of the beam source and nanowire separation distance, providing insights into the spatial dependences of plasmonic couplings in nanowire arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Evidence for Dissociation and Ionization in Shock Compressed Nitrogen to 800 GPa

Triple bonding in the nitrogen molecule (N 2 ) is among the strongest chemical bonds with a dissociation enthalpy of 9.8 eV/molecule. Nitrogen is therefore an excellent test bed for theoretical and numerical methods aimed at understanding how bonding evolves under the influence of the extreme pressures and temperatures of the warm dense matter regime. Here, we report laser-driven shock experiments on fluid molecular nitrogen up to 800 GPa and 4.0 g/cm 3 . Line-imaging velocimetry measurements and impedance matching method with a quartz reference yield shock equation of state data of initially precompressed nitrogen. Comparison with numerical simulations using path integral Monte Carlo and density functional theory molecular dynamics reveals clear signatures of chemical dissociation and the onset of L-shell ionization. Furthermore, combining data along multiple shock Hugoniot curves starting from densities between 0.76 and 1.29 g/cm 3 , our study documents how pressure and density affect these changes in chemical bonding and provides benchmarks for future theoretical developments in this regime, with applications for planetary interior modeling, high energy density science, and inertial confinement fusion research.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Exploring the potential benefits of high-efficiency dual-fuel combustion on a heavy-duty multi-cylinder engine for SuperTruck I

In support of the Daimler SuperTruck I team’s 55% brake thermal efficiency (BTE) pathway goal, researchers at Oak Ridge National Laboratory performed an experimental investigation of the potential efficiency and emissions benefits of dual-fuel advanced combustion approaches on a modified heavy-duty 15-L Detroit™ DD15 engine. For this work, a natural gas port fuel injection system with an independent injection control for each cylinder was added to the DD15 engine. For the dual-fuel strategies investigated, 65%–90% of the total fuel energy was supplied through the added port fuel injection natural gas (NG) fueling system. The remaining fuel energy was supplied by one or more direct injections of diesel fuel using the production high pressure diesel fueling system. The production DD15 air handling system and combustion geometry were unmodified for this study. Efficiency and emissions with dual-fuel strategies including both low temperature combustion (LTC) and non-LTC approaches such as dual fuel direct-injection were investigated along with control authority over combustion phasing. Parametric studies of dual-fuel NG/diesel advanced combustion were conducted in order to experimentally investigate the potential of high-efficiency, dual-fuel combustion strategies to improve BTE in a multi-cylinder engine, understand the potential reductions in engine-out emissions, and characterize the range of combustion phasing controllability. Characterization of mode transitions from mixing-controlled diesel pilot ignition to kinetically controlled ignition is presented. Key findings from this study included a reproducible demonstration of BTE approaching 48% at up to a 13-bar brake mean effective pressure with significant reductions in engine-out NOx and soot emissions. Additional results from investigating load transients in dual-fuel mode and initial characterization of particle size distribution during dual-fuel operation are presented.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Cost Efficient and Highly Weather-Resistant Solar Panel Backsheet Produced through Continuous Co-Extrusion Processing

The efficient generation and delivery of ‘clean energy” through photovoltaic (PV) technology relies heavily on the cost, performance and reliability of solar panels, along with the individual components used in assembly of those panels. In order to continue towards the Department of Energy’s (DOE) goals of driving costs down, the lifetime of high-output power generation equipment (i.e. solar modules) must be extended to reduce costs associated with power output degradation and replacement of failed or degraded panels. One of the major sources of module failures in the past 30 years has been the failure of the solar panel backsheet. Failure of this component causes severe output losses due to oxidation and yellowing of the module while creating safety concerns as the major electrical insulation of the module is compromised. Tomark-Worthen LLC was formed in 2012 with the goal of designing and manufacturing novel PV backsheets and encapsulants that would be produced in the United States of America and exceed expectations of domestic and international module producers. These backsheets would improve upon known backsheet design failures (i.e. Isovoltaic’s AAA backsheet) and create domestic manufacturing jobs in the PV sector. This goal became a reality with a first-generation product in 2018 and now, with the support of the DOE, Tomark-Worthen has launched a second-generation product known as PhotoMark® Reflections™ 205-3 and 360-3. This 2+ year effort began in late 2017 with a screening of potential polymeric materials and backsheet structural designs. Performance evaluations of each material provided the necessary data needed to select the proper material combinations and move forward into the design of the manufacturing process. These decisions were made by teaming with a local university, well-respected government laboratories, and private research organizations who provided the tools necessary to predict long-term performance of these materials in much shorter periods of time. Once the go/no-go criteria were met at the mid-point of the project, the effort transitioned to predicting 30+ year performance, achieving certifications, and improving manufacturing efficiencies designed to lower costs in order to be competitive in a cost-driven market. Major project accomplishments include recognition of the new backsheet by Underwriters Laboratories (UL) and international certification for 1000V and 1500V modules by TUV Sud. Both 1000V and 1500V products have been proven on several module manufacturing lines and initial customer orders have been received by both domestic and international module producers. Accelerated exposure testing has shown that the performance of this backsheet exceeds the prior polyamide-based backsheet known to fail in the field. Cost-models and initial customer orders have shown the ability to produce this backsheet at a cost acceptable to many domestic manufacturers, while International costs for standard backsheet remains extremely low. Tomark-Worthen remains one of the only U.S. companies manufacturing backsheet domestically and this has drawn interest from many domestic module manufacturers looking to improve their material supply logistics by avoiding long lead times and custom’s headaches while avoiding current tariffs on Chinese-made components. Along with the launch of a new PV backsheet, this project has provided a critical deliverable to the PV R&D community. This deliverable is the knowledge that not all polyamide-containing backsheets are doomed to failure as the earlier versions did. There has been a fear amongst the PV community to consider these materials due to the failure of one design. This effort has brought a new level of interest to the scientific community as it has been shown that polyamides can be used successfully in a well-designed backsheet. As we move forward from this project, we are excited to see how backsheet technology and manufacturing in the U.S. will continue to progress and grow.

14 SOLAR ENERGY↗