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Ultrafast vibrational control of organohalide perovskite optoelectronic devices using vibrationally promoted electronic resonance

Vibrational control (VC) of photochemistry through the optical stimulation of structural dynamics is a nascent concept only recently demonstrated for model molecules in solution. Extending VC to state-of-the-art materials may lead to new applications and improved performance for optoelectronic devices. Metal halide perovskites are promising targets for VC due to their mechanical softness and the rich array of vibrational motions of both their inorganic and organic sublattices. Here, we demonstrate the ultrafast VC of FAPbBr 3 perovskite solar cells via intramolecular vibrations of the formamidinium cation using spectroscopic techniques based on vibrationally promoted electronic resonance. The observed short (~300 fs) time window of VC highlights the fast dynamics of coupling between the cation and inorganic sublattice. First-principles modelling reveals that this coupling is mediated by hydrogen bonds that modulate both lead halide lattice and electronic states. Cation dynamics modulating this coupling may suppress non-radiative recombination in perovskites, leading to photovoltaics with reduced voltage losses.

36 MATERIALS SCIENCE↗

Electric Vehicle Charging Infrastructure Trends from the Alternative Fueling Station Locator: First Quarter 2021

The U.S. Department of Energy’s (DOE’s) Alternative Fueling Station Locator contains information on public and private non-residential alternative fueling stations in the United States and Canada and currently tracks ethanol (E85), biodiesel, compressed natural gas, electric vehicle (EV) charging, hydrogen, liquefied natural gas, and propane stations. Of these fuels, EV charging continues to experience rapidly changing technology and growing infrastructure. This report provides a snapshot of the state of EV charging infrastructure in the United States in the first calendar quarter of 2021 (Q1). Using data from the Station Locator, this report breaks down the growth of public and private charging infrastructure by charging level, network, and location. Additionally, this report measures the current state of charging infrastructure compared with the target infrastructure volume for 2030. This information is intended to help transportation planners, policymakers, researchers, infrastructure developers, and others understand the rapidly changing landscape for EV charging. This is the fifth report in a series. Previous reports from 2020 can be found in the Alternative Fuels Data Center (AFDC) and National Renewable Energy Laboratory (NREL) publication databases, as well as the AFDC Charging Infrastructure Trends page (https://afdc.energy.gov/fuels/electricity_infrastructure_trends.html).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Electric Vehicle Charging Infrastructure Trends from the Alternative Fueling Station Locator: Second Quarter 2021

The U.S. Department of Energy's (DOE's) Alternative Fueling Station Locator contains information on public and private non-residential alternative fueling stations in the United States and Canada and currently tracks ethanol (E85), biodiesel, compressed natural gas, electric vehicle (EV) charging, hydrogen, liquefied natural gas, and propane stations. Of these fuels, EV charging continues to experience rapidly changing technology and growing infrastructure. This report provides a snapshot of the state of EV charging infrastructure in the United States in the second calendar quarter of 2021 (Q2). Using data from the Station Locator, this report breaks down the growth of public and private charging infrastructure by charging level, network, and location. Additionally, this report measures the current state of charging infrastructure compared with the target infrastructure volume for 2030. This information is intended to help transportation planners, policymakers, researchers, infrastructure developers, and others understand the rapidly changing landscape for EV charging. This is the sixth report in a series. Reports from previous quarters can be found in the Alternative Fuels Data Center (AFDC) and National Renewable Energy Laboratory (NREL) publication databases, as well as the AFDC Charging Infrastructure Trends page (https://afdc.energy.gov/fuels/electricity_infrastructure_trends.html).

33 ADVANCED PROPULSION SYSTEMS↗

The semiconductivity and stability of palladium oxide

Palladium metal films are prepared on quartz substrates by RF sputtering from a pure palladium target in an argon atmosphere. These films are then oxidized in air or in an oxygen atmosphere at 700 C for periods between 24 hr and 6 days. Either treatment is found to produce good-quality thin films of PdO with a uniform orange transmission. Attention is focused on optical and electrical conductivity measurements made on PdO films with a view toward determining their band gap, conductivity and thermal stability in vacuum and in the presence of oxygen. It is shown that hydrogen greatly reduces the thermal stability of PdO. The film decomposes to Pd metal by 350 K in the presence of hydrogen as compared to a temperature of about 580 K in vacuum.

Rey, E.↗

Life-Cycle Assessment Integration into Scalable Open-Source Numerical Models (LiAISON) for Prospective Impact Analysis of Novel Technologies

Decarbonizing the industrial sector is a significant challenge in achieving a net-zero greenhouse gas (GHG) emissions economy by 2050 and the Paris Agreement, i.e., a global climate change mitigation target of achieving a maximum average temperature change potential of 1.5 Degrees Celsius or less by 2100 with respect to pre-industrial levels. In the United States (US), the industrial sector accounts for 23% of total GHG emissions and is home to a number of hard-to-electrify activities. The chemicals subsector has the single largest subsector emissions profile after direct emissions from fossil fuel combustion and leakage from fossil fuel distribution systems. Within the chemicals subsector, many processes depend on hydrogen or ammonia precursors. Decarbonizing these two commodities would contribute significantly to decarbonizing the industrial sector as hydrogen could also be used for low carbon steel production (e.g., hydrogen-based direct reduction of iron) and other industrial applications. Emerging technologies require the application of prospective life cycle assessment (LCA), which can account for technology (foreground) scaling and process improvements via learning-by-doing, among others. In many cases, the future system context (background) in which the technologies are assumed to operate in is equally relevant. Background scenarios generated by integrated assessment models (IAM) can coherently incorporate potential future dynamics of the energy-climate-human-land system. Further, IAM scenarios are harmonized across socioeconomic and climate change mitigation pathways, which facilitates the comparability of prospective LCAs using different IAMs. We introduce an open source prospective LCA framework, the Life-cycle Assessment Integration into Scalable Open-source Numerical models (LiAISON), to analyze the non-linear relationships between technology foreground and the future energy system background across a series of midpoint and resource use metrics. The integration of LCA and IAM data is achieved using prospective environmental Impact assessment (PREMISE). We showcase it by assessing two Power-to-Hydrogen (PtH2) processes, namely Solid Oxide Electrolysis (SOE) and Polymer Electrolyte Membrane Electrolysis (PEME). We compare the technologies to a baseline of hydrogen production via natural gas-based Steam Methane Reforming (SMR) in a US context of multiple energy system and climate change mitigation futures. Besides providing an analysis that specifies the LCA results ranges with temporal and geospatial explicitness across the two technologies, metrics, and impact assessment methods, this research also aims to establish a base framework that can be expanded to use other IAM generated scenarios and US open-source life cycle inventory (LCI) databases. We find that the temporal environmental performance of either technology or their difference to SMR is directly influenced by the underlying background dynamics. Additionally we compare our results by linking two other prospective models with LiAISON - GCAM (Global Change Assessment Model) and ReEDS (Regional Energy Deployment System) to analyze the effect of changing background scenarios using varying predictions in life cycle analysis.

decarbonizing↗

Life-Cycle Assessment Integration into Scalable Open-Source Numerical Models (LiAISON) for Analyzing Emerging Low-Carbon Technologies

Decarbonizing the industrial sector is a significant challenge in achieving a net-zero greenhouse gas (GHG) emissions economy by 2050 and the Paris Agreement, i.e., a global climate change mitigation target of achieving a maximum average temperature change potential of 1.5 degrees Celsius or less by 2100 with respect to pre-industrial levels. In the United States (US), the industrial sector accounts for 23% of total GHG emissions and is home to a number of hard-to-electrify activities. The chemicals subsector has the single largest subsector emissions profile after direct emissions from fossil fuel combustion and leakage from fossil fuel distribution systems. Within the chemicals subsector, many processes depend on hydrogen or ammonia precursors. Decarbonizing these two commodities would contribute significantly to decarbonizing the industrial sector as hydrogen could also be used for low carbon steel production (e.g., hydrogen-based direct reduction of iron) and other industrial applications. Emerging technologies require the application of prospective life cycle assessment (LCA), which can account for technology (foreground) scaling and process improvements via learning-by-doing, among others. In many cases, the future system context (background) in which the technologies are assumed to operate in is equally relevant. Background scenarios generated by integrated assessment models (IAM) can coherently incorporate potential future dynamics of the energy-climate-human-land system. Further, IAM scenarios are harmonized across socioeconomic and climate change mitigation pathways, which facilitates the comparability of prospective LCAs using different IAMs. We introduce an open source prospective LCA framework, the Life-cycle Assessment Integration into Scalable Open-source Numerical models (LiAISON), to analyze the non-linear relationships between technology foreground and the future energy system background across a series of midpoint and resource use metrics. The integration of LCA and IAM data is achieved using prospective environmental Impact assessment (PREMISE). We showcase it by assessing two Power-to-Hydrogen (PtH2) processes, namely Solid Oxide Electrolysis (SOE) and Polymer Electrolyte Membrane Electrolysis (PEME). We compare the technologies to a baseline of hydrogen production via natural gas-based Steam Methane Reforming (SMR) in a US context of multiple energy system and climate change mitigation futures. Besides providing an analysis that specifies the LCA results ranges with temporal and geospatial explicitness across the two technologies, metrics, and impact assessment methods, this research also aims to establish a base framework that can be expanded to use other IAM generated scenarios and US open-source life cycle inventory (LCI) databases. We find that the temporal environmental performance of either technology or their difference to SMR is directly influenced by the underlying background dynamics. Under baseline projections (i.e., no decarbonization goals), neither process reaches parity with the incumbent technology across several environmental metrics. Under the decarbonization scenarios, the underlying sectoral shifts result in declining impacts over time, compared to 2020 levels, except for metal depletion levels, which increase. The background shifts postulate a heavily decarbonized economy and energy system, which help technologies reach parity with SMR between 2040-2050 (RCP2.6) and 2030-2040 (RCP1.9) for global warming. Despite declines across several other metrics over time, neither PtH2 technology break even with SMR by 2100 besides for global warming.

decarbonizing↗

Life-Cycle Assessment Integration into Scalable Open-Source Numerical Models (LiAISON) for Analyzing Emerging Low-Carbon Technologies

Decarbonizing the industrial sector is a significant challenge in achieving a net-zero greenhouse gas (GHG) emissions economy by 2050 and the Paris Agreement, i.e., a global climate change mitigation target of achieving a maximum average temperature change potential of 1.5 degrees C or less by 2100 with respect to pre-industrial levels. In the United States (US), the industrial sector accounts for 23% of total GHG emissions and is home to a number of hard-to-electrify activities. The chemicals subsector has the single largest subsector emissions profile after direct emissions from fossil fuel combustion and leakage from fossil fuel distribution systems. Within the chemicals subsector, many processes depend on hydrogen or ammonia precursors. Decarbonizing these two commodities would contribute significantly to decarbonizing the industrial sector as hydrogen could also be used for low carbon steel production (e.g., hydrogen-based direct reduction of iron) and other industrial applications. Emerging technologies require the application of prospective life cycle assessment (LCA), which can account for technology (foreground) scaling and process improvements via learning-by-doing, among others. In many cases, the future system context (background) in which the technologies are assumed to operate in is equally relevant. Background scenarios generated by integrated assessment models (IAM) can coherently incorporate potential future dynamics of the energy-climate-human-land system. Further, IAM scenarios are harmonized across socioeconomic and climate change mitigation pathways, which facilitates the comparability of prospective LCAs using different IAMs. We introduce an open source prospective LCA framework, the Life-cycle Assessment Integration into Scalable Open-source Numerical models (LiAISON), to analyze the non-linear relationships between technology foreground and the future energy system background across a series of midpoint and resource use metrics The integration of LCA and IAM data is achieved using prospective environmental Impact assessment (PREMISE). We showcase it by assessing two Power-to-Hydrogen (PtH2) processes, namely Solid Oxide Electrolysis (SOE) and Polymer Electrolyte Membrane Electrolysis (PEME). We compare the technologies to a baseline of hydrogen production via natural gas-based Steam Methane Reforming (SMR) in a US context of multiple energy system and climate change mitigation futures. Besides providing an analysis that specifies the LCA results ranges with temporal and geospatial explicitness across the two technologies, metrics, and impact assessment methods, this research also aims to establish a base framework that can be expanded to use other IAM generated scenarios and US open-source life cycle inventory (LCI) databases. We find that the temporal environmental performance of either technology or their difference to SMR is directly influenced by the underlying background dynamics. Under baseline projections (i.e., no decarbonization goals), neither process reaches parity with the incumbent technology across several environmental metrics. Under the decarbonization scenarios, the underlying sectoral shifts result in declining impacts over time, compared to 2020 levels, except for metal depletion levels, which increase. The background shifts postulate a heavily decarbonized economy and energy system, which help technologies reach parity with SMR between 2040-2050 (RCP2.6) and 2030-2040 (RCP1.9) for global warming. Despite declines across several other metrics over time, neither PtH2 technology break even with SMR by 2100 besides for global warming.

decarbonizing↗

Towards Prospective LCA Using Life-Cycle Assessment Integration into Scalable Open-Source Numerical Models (LiAISON) Framework for Analyzing Emerging Low-Carbon Technologies

Decarbonizing the industrial sector is a significant challenge in achieving a net-zero greenhouse gas (GHG) emissions economy by 2050 and the Paris Agreement, i.e., a global climate change mitigation target of achieving a maximum average temperature change potential of 1.5 Degrees Celsius or less by 2100 with respect to pre-industrial levels. In the United States (US), the industrial sector accounts for 23% of total GHG emissions and is home to a number of hard-to-electrify activities. The chemicals subsector has the single largest subsector emissions profile after direct emissions from fossil fuel combustion and leakage from fossil fuel distribution systems. Within the chemicals subsector, many processes depend on hydrogen or ammonia precursors. Decarbonizing these two commodities would contribute significantly to decarbonizing the industrial sector as hydrogen could also be used for low carbon steel production (e.g., hydrogen-based direct reduction of iron) and other industrial applications. Emerging technologies require the application of prospective life cycle assessment (LCA), which can account for technology (foreground) scaling and process improvements via learning-by-doing, among others. In many cases, the future system context (background) in which the technologies are assumed to operate in is equally relevant. Background scenarios generated by integrated assessment models (IAM) can coherently incorporate potential future dynamics of the energy-climate-human-land system. Further, IAM scenarios are harmonized across socioeconomic and climate change mitigation pathways, which facilitates the comparability of prospective LCAs using different IAMs. We introduce an open source prospective LCA framework, the Life-cycle Assessment Integration into Scalable Open-source Numerical models (LiAISON), to analyze the non-linear relationships between technology foreground and the future energy system background across a series of midpoint and resource use metrics The integration of LCA and IAM data is achieved using prospective environmental Impact assessment (PREMISE). We showcase it by assessing two Power-to-Hydrogen (PtH2) processes, namely Solid Oxide Electrolysis (SOE) and Polymer Electrolyte Membrane Electrolysis (PEME). We compare the technologies to a baseline of hydrogen production via natural gas-based Steam Methane Reforming (SMR) in a US context of multiple energy system and climate change mitigation futures. Besides providing an analysis that specifies the LCA results ranges with temporal and geospatial explicitness across the two technologies, metrics, and impact assessment methods, this research also aims to establish a base framework that can be expanded to use other IAM generated scenarios and US open-source life cycle inventory (LCI) databases. We find that the temporal environmental performance of either technology or their difference to SMR is directly influenced by the underlying background dynamics. Additionally we compare our results by linking two other prospective models with LiAISON - GCAM(Global Change Assessment Model) and ReEDS (Regional Energy Deployment System) to analyze the effect of changing background scenarios using varying predictions in life cycle analysis.

emissions↗

The Role of Fuels in Transforming Energy End-Use in Buildings and Industrial Processes

This book examines what role fuels have in the transformation of end-use in buildings and industrial processes. Energy efficient technologies are necessary to lower the carbon footprint for a transition towards clean energy in a sustainable manner. Efficient utilization of primary energy resources including renewables to support the current and future energy needs while targeting grid resiliency, energy and environmental security, at an affordable cost is of significant value. Analysis of configurations consisting of heat pumps, fuel driven thermal providers and power systems is presented. Sensitivity of electrical grid's carbon intensity towards carbon footprint in comparison with fuel driven technologies is necessary to recognize the true value proposition of currently available energy solutions for different end consumers. Similarly, the role of low carbon, zero carbon, and carbon negative fuels such as power to gas, power to liquid, hydrogen, biogas, etc. in conjunction with polygeneration technologies are discussed. Transformation of the primary energy resources from conventional fossil fuels to renewable fuels or electricity will have a significant impact on the overall carbon footprint of various end use sectors, including buildings. Hence, this book also examines two different scenarios focused on sensitivity of the pace of decarbonization of electrical grid and fuel supply on operational energy related carbon emissions.

Cheekatamarla, Praveen↗

The ORNL Moderator Test Station Science Case

Oak Ridge National Laboratory (ORNL) hosts two world-leading slow neutron sources, the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR), and is currently developing the technical design for a Second Target Station (STS) for the SNS. Upon completion of the STS project, ORNL will be uniquely positioned to optimize each of its three neutron sources, the SNS First Target Station (FTS), the STS, and HFIR, in a complementary way. Among the essential aspects of a re-imagined FTS and the current STS design are high-brightness parahydrogen moderators—moderators which are optimized for high per-unit-area neutron brightness rather than integrated-across-large-area neutron intensity. The high-brightness moderators proposed for the STS will, for the brightness metric, significantly outperform the coupled moderators currently on the FTS for appropriately optimized neutron beamlines, provided the moderating hydrogen is converted to near-equilibrium levels of parahydrogen (approximately 99.8% at 20 K). The original FTS moderators, by contrast, were conservatively designed to be relatively insensitive to the exact ortho:para ratio, with a consequent loss in performance. As a result, a redesign of the FTS moderators assuming fully converted parahydrogen could result in significant performance improvements on the FTS coupled moderators, and more consistent performance over time for all hydrogen moderators. This “parahydrogen problem” is a long-standing challenge for the effective implementation of hydrogen cold moderators at high-power neutron sources. In addition, the development of new moderator concepts, whether based on previously unused materials, structured heterogeneous arrays, or even simply on changes in overall shape and size is significantly restricted at a large-scale production facility intended to use the resulting neutron beams. Accordingly, moderators for production neutron sources are often designed in a very conservative, low-risk fashion, even though this compromises the absolute neutronic performance. Advanced moderator concepts worthy of study include features that could not be tested without redesigning and redeploying the entire existing reflector, shielding, and neutron beamline installation, making such development efforts far more expensive than building a stand-alone test facility.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Extreme ultraviolet spectroscopy and photometry of VV Puppis during a high accretion state

We determine the physical properties of the accretion region of the AM Her-type binary VV Puppis using extreme ultraviolet (EUV) medium-resolution spectroscopy and photometry obtained with the Extreme Ultraviolet Explorer (EUVE) observatory. The EUV continuum from VV Pup was detected in the wavelength range from 75 to 135 A and was simultaneously recorded with the Deep Survey/Spectrometer (DS/S) imaging telescope, allowing for the extraction of an accurate light curve. VV Pup appeared to have entered a high-accretion state just prior to the pointed EUVE observations. We use the EUV light curve to infer the diameter of the accretion region (d = 220 km) assuming a hemispherical geometry and a radius of 9000 km for the white dwarf. We perform a model atmosphere analysis and, based on the light curve properties and assuming a distance of 145 pc, we derive an effective temperature of the accretion region in the range 270,000 is less than T(sub eff) is less than 360,000 K and a neutral hydrogen column density in the local interstellar medium of n(sub H) = 1.9 - 3.7 x 10(exp 19)/sq cm. The total EUV/soft X-ray energy radiated by the accretion region is approximately 3.5 x 10(exp 32) ergs/s. Our results provide a first verification of past suggestions that deep heating of the white dwarf surface produces the soft X-ray flux from the polars. We present a possible detection of O VI absortion features, and we suggest that extensive EUVE observations targeting high-accretion events may result in oxygen and heavier element abundance determination in the accretion region.

Vennes, Stephane↗

NASA Tech Briefs, December 2010

Topics include: Coherent Frequency Reference System for the NASA Deep Space Network; Diamond Heat-Spreader for Submillimeter-Wave Frequency Multipliers; 180-GHz I-Q Second Harmonic Resistive Mixer MMIC; Ultra-Low-Noise W-Band MMIC Detector Modules; 338-GHz Semiconductor Amplifier Module; Power Amplifier Module with 734-mW Continuous Wave Output Power; Multiple Differential-Amplifier MMICs Embedded in Waveguides; Rapid Corner Detection Using FPGAs; Special Component Designs for Differential-Amplifier MMICs; Multi-Stage System for Automatic Target Recognition; Single-Receiver GPS Phase Bias Resolution; Ultra-Wideband Angle-of-Arrival Tracking Systems; Update on Waveguide-Embedded Differential MMIC Amplifiers; Automation Framework for Flight Dynamics Products Generation; Product Operations Status Summary Metrics; Mars Terrain Generation; Application-Controlled Parallel Asynchronous Input/Output Utility; Planetary Image Geometry Library; Propulsion Design With Freeform Fabrication (PDFF); Economical Fabrication of Thick-Section Ceramic Matrix Composites; Process for Making a Noble Metal on Tin Oxide Catalyst; Stacked Corrugated Horn Rings; Refinements in an Mg/MgH2/H2O-Based Hydrogen Generator; Continuous/Batch Mg/MgH2/H2O-Based Hydrogen Generator; Strain System for the Motion Base Shuttle Mission Simulator; Ko Displacement Theory for Structural Shape Predictions; Pyrotechnic Actuator for Retracting Tubes Between MSL Subsystems; Surface-Enhanced X-Ray Fluorescence; Infrared Sensor on Unmanned Aircraft Transmits Time-Critical Wildfire Data; and Slopes To Prevent Trapping of Bubbles in Microfluidic Channels.

Source record↗

Developing Platinum-Group-Metal-Free Catalysts for Oxygen Reduction Reaction in Acid: Beyond the Single Metal Site

This project is to develop M (x) -N-C catalysts with dense multiple metal center (MMC) sites to meet the DOE 2025 activity target of 0.044 mA/cm 2 at 0.9 V IR-free ., as well as other goals such as durability. We have made important contributions to both catalyst development and fundamental understandings of the active sites in M-N-C catalysts in this project. We successfully made M (x) -N-C catalysts with some multiple metal center (MMC) sites by combining ionothermal carbonization with chemical vapor deposition (CVD). These catalysts, however, are not as active as the most active single-atom Fe-N-C catalysts made by the similar CVD process, owing likely to the low site density and the presence of inorganic Fe species such as iron carbides and nanoparticles. The most significant accomplishments we achieved in this project are: (1) we unraveled the formation pathway of Fe-N 4 sites during pyrolysis step-by-step and identified the trans-metalation mechanism, in collaboration with Deborah Myers and her colleagues at Argonne National Laboratory (ANL); (2) inspired by this finding, we pioneered the CVD synthesis of M-N-C catalysts (M = Mn, Fe, and Co), in which the Fe-N-C catalyst by CVD demonstrated an ORR activity of 33 mA/cm 2 at 0.9 V in H 2 -O 2 proton exchange membrane fuel cells (PEMFCs), very close to the ultimate goal of 35 mA/cm 2 of our project. This catalyst is the first Fe-N-C catalyst that contains only D1 sites without the D2 sites; whereas D1 and D2 sites have been always identified by Mossbauer in previous Fe-N-C catalysts. This finding helps to understand what the D1 and D2 sites are and their roles in catalyzing the ORR. (3) by improving the mass transport of the carbon matrix prior to the CVD process, the revised Fe-N-C catalyst made by CVD delivered a maximum power density of 0.53 W/cm 2 in H 2 -air PEMFCs. The improvement strategy was partly inspired by the computational modeling work by Adam Weber from LBNL, the Co-PI of this project, by developing, coding, and exercising a continuum level model of transport phenomena within a PGM-free catalyst layer. The model demonstrated that local resistances combined with limited site density of the PGM-free catalyst can result in limiting currents and poor polarization performance. The model also gave design guidance for impact of ECSA and overall catalyst-layer thickness. However, both Fe-N-C and Co-N-C catalysts developed by CVD showed poor durability in PEMFCS, in comparison with the traditional M-N-C catalysts synthesized via regular pyrolysis process. Consequently, we did not achieve the proposed durability targets. Despite so, we believe the FeNC-CVD catalysts with the poor durability and D1 sites only provides an excellent platform to understand the degradation mechanism of Fe-N-C in PEMFCs, the most important challenge in the development of M-N-C catalysts.

08 HYDROGEN↗

Analytical study of nozzle performance for nuclear thermal rockets

Nuclear propulsion has been identified as one of the key technologies needed for human exploration of the Moon and Mars. The Nuclear Thermal Rocket (NTR) uses a nuclear reactor to heat hydrogen to a high temperature followed by expansion through a conventional convergent-divergent nozzle. A parametric study of NTR nozzles was performed using the Rocket Engine Design Expert System (REDES) at the NASA Lewis Research Center. The REDES used the JANNAF standard rigorous methodology to determine nozzle performance over a range of chamber temperatures, chamber pressures, thrust levels, and different nozzle configurations. A design condition was set by fixing the propulsion system exit radius at five meters and throat radius was varied to achieve a target thrust level. An adiabatic wall was assumed for the nozzle, and its length was assumed to be 80 percent of a 15 degree cone. The results conclude that although the performance of the NTR, based on infinite reaction rates, looks promising at low chamber pressures, finite rate chemical reactions will cause the actual performance to be considerably lower. Parameters which have a major influence on the delivered specific impulse value include the chamber temperature and the chamber pressures in the high thrust domain. Other parameters, such as 2-D and boundary layer effects, kinetic rates, and number of nozzles, affect the deliverable performance of an NTR nozzle to a lesser degree. For a single nozzle, maximum performance of 930 seconds and 1030 seconds occur at chamber temperatures of 2700 and 3100 K, respectively.

Davidian, Kenneth O.↗

Mars Aqueous Processing System

The goal of the Mars Aqueous Processing System (MAPS) is to establish a flexible process that generates multiple products that are useful for human habitation. Selectively extracting useful components into an aqueous solution, and then sequentially recovering individual constituents, can obtain a suite of refined or semi-refined products. Similarities in the bulk composition (although not necessarily of the mineralogy) of Martian and Lunar soils potentially make MAPS widely applicable. Similar process steps can be conducted on both Mars and Lunar soils while tailoring the reaction extents and recoveries to the specifics of each location. The MAPS closed-loop process selectively extracts, and then recovers, constituents from soils using acids and bases. The emphasis on Mars involves the production of useful materials such as iron, silica, alumina, magnesia, and concrete with recovery of oxygen as a byproduct. On the Moon, similar chemistry is applied with emphasis on oxygen production. This innovation has been demonstrated to produce high-grade materials, such as metallic iron, aluminum oxide, magnesium oxide, and calcium oxide, from lunar and Martian soil simulants. Most of the target products exhibited purities of 80 to 90 percent or more, allowing direct use for many potential applications. Up to one-fourth of the feed soil mass was converted to metal, metal oxide, and oxygen products. The soil residue contained elevated silica content, allowing for potential additional refining and extraction for recovery of materials needed for photovoltaic, semiconductor, and glass applications. A high-grade iron oxide concentrate derived from lunar soil simulant was used to produce a metallic iron component using a novel, combined hydrogen reduction/metal sintering technique. The part was subsequently machined and found to be structurally sound. The behavior of the lunar-simulant-derived iron product was very similar to that produced using the same methods on a Michigan iron ore concentrate, which demonstrates that lunar-derived material can be used in a manner similar to conventional terrestrial iron. Metallic iron was also produced from the Mars soil simulant. The aluminum and magnesium oxide products produced by MAPS from lunar and Mars soil simulants exhibited excellent thermal stability, and were shown to be capable of use for refractory oxide structural materials, or insulation at temperatures far in excess of what could be achieved using unrefined soils. These materials exhibited the refractory characteristics needed to support iron casting and forming operations, as well as other thermal processing needs. Extraction residue samples contained up to 79 percent silica. Such samples were successfully fused into a glass that exhibited high light transmittance.

Berggren, Mark↗

A recirculation system for concentrating CO 2 electrolyzer products

Electrochemical carbon dioxide reduction represents a promising path to utilize CO 2 as a feedstock for generating valuable products such as fuels and chemicals. Faradaic efficiencies near 100% have been achieved for certain CO 2 reduction products such as CO, but the electrolyzer outlet streams usually contain large fractions of unreacted CO 2 , dropping the product concentrations below 1% in many cases. The system disclosed here recycles the unreacted CO 2 together with the products and flows them back into the CO 2 reduction reactor, enabling much higher CO 2 conversion rates without dropping the gas flow rate. However, simple recirculation is shown to accumulate significant amounts of hydrogen, impeding effective CO 2 reduction. In this looped system, an electrochemical H 2 pump is placed in series with the CO 2 reactor, which effectively removes all the H 2 from the recycled gas stream, increasing the concentrations of carbon-containing products. Here, the system was initially tested with a CO-generating catalyst and CO concentrations above 70% were achieved in the recycled gas stream, compared to a maximum CO concentration of 8% in single-pass configuration. Results with a CO 2 reactor targeting ethylene as the main product show that ethylene concentrations of at least 10% can be achieved, which is roughly 20 times higher compared to a single-pass system.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

FLASH-therapy suitable single-pulse proton generation using TiH 2 under nanosecond laser irradiation

We investigated proton emission from titanium hydride (TiH 2 ) targets irradiated in vacuum by a 6-ns, 1064-nm Nd:YAG laser. Time-of-flight measurements with a Faraday cup and an electrostatic ion analyzer resolved distinct proton peaks at high pulse energies, with yields on the order of 10 9 protons per shot. Systematic scans over pulse energy and up to 1000 repeated shots showed that, while the peak amplitude gradually decreased, the integrated proton number remained nearly constant. This behavior is consistent with surface-induced broadening of the plasma expansion while bulk hydrogen is replenished by diffusion and repeated ablation of fresh TiH 2 layers. Using the measured proton numbers and pulse widths, a simple direct-plasma-injection-style scaling indicates peak currents of ∼100 mA and sub-microsecond pulse durations. The pulse structure and yield satisfy key ultra-high-dose-rate criteria and, together with sustained output over 1000 shots, support TiH 2 -based laser ion sources as practical candidates for FLASH-therapy (ultra-high-dose-rate)-oriented studies and injector development using direct plasma injection.

43 PARTICLE ACCELERATORS↗

Energy Consumption and Cost Reduction of Future Light-Duty Vehicles through Advanced Vehicle Technologies: A Modeling Simulation Study Through 2050

The U.S. Department of Energy’s (DOE’s) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) aim to develop sustainable, affordable and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate vehicle-level fuel savings potential is critical for understanding DOE’s impact. In this work, we simulated technologies funded by VTO and HFTO for light duty vehicles. The simulations were performed across: Multiple powertrain configurations (i.e., conventional, power-split, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles), Vehicle classes (i.e., compact car, midsize car, small sport utility vehicle [SUV], midsize SUV, and pickup trucks); and Fuels (i.e., gasoline, diesel, hydrogen, and battery electricity). These various technologies are assessed for six different timeframes: laboratory years 2015, 2020, 2025, 2030, and 2045. A delay of 5 years is assumed between laboratory year and model year (year technology is introduced into production). Finally, uncertainties are included for both technology performance and cost aspects by considering two cases: Low case, aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on regulations, business as usual; and High case, aligned with aggressive technology advancements based on R&D targets developed through support by VTO & HFTO. These scenarios are not intended as predictions of future performances. The energy and cost impact of different technologies were estimated using Autonomie (www.autonomie.net), Argonne vehicle system simulation tool. Autonomie is a state-of-the-art vehicle system simulation tool used to assess the energy consumption, performance and cost of multiple advanced vehicle technologies across classes (from light to heavy duty), powertrains (from conventional to HEVs, FCEVs, PHEVs and BEVs), components and control strategies. Autonomie is packaged with a complete set of vehicle models for a wide range of vehicle classes, powertrain configurations and component technologies, including vehicle level and component level controls. These controls were developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies including analyzing various component technologies, sizing powertrains components for different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route based vehicle energy control and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions and estimates the vehicle-level energy consumption benefits and associated technology costs for the various types of light duty vehicles. All details of vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

33 ADVANCED PROPULSION SYSTEMS↗