Isolated Three-Phase AC-AC Converter with Phase Shift Modulation
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Mueller, Jacob Andreas↗
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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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Identifying Generational Shifts in Workplace Worldviews to Predict Changes in Insider Threat Likelihood, Risk, and Motivation
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Kinney, Justin [ORNL]↗
Performance Evaluation of Different Parallel Programming Models in SCALE-Shift Sequences for Criticality and Shielding Applications [Abstract]
The SCALE code system has been widely used for nuclear criticality safety, reactor physics, radiation shielding, source term generation, and inventory analyses by researchers, industry, and regulatory bodies. Although limited support for shared- and distributed-memory parallel processing was introduced via C++ threading, OpenMP, and MPI, a hybrid parallel programming model with both distributed- and shared-memory parallelism has not been fully supported in the SCALE code system.
Nuclear Criticality Safety Program (NCSP)↗
Influence of Phase-Change Materials and Operating Periods on Load Shifting for Thermal Storage Heat Pumps in European Climate Zones
As the reliance on heat pumps (HPs) for space conditioning increases worldwide, ex-tensive grid strains during utility peak hours are expected. Significant research efforts focus on investigating the use of integrated thermal energy storage (TES) systems to reduce peak energy demands. Conventionally, TES systems are often integrated to store and provide either cooling or heating, but not both. In this work, a single room-temperature phase-change material (PCM)-TES was integrated for dual-mode opera-tion with an R290 air-to-water 10.5 kW (3-Ton) HP. Two PCM melting temperatures (17°C, 22°C) were assessed to investigate their impact on system performance and cost reductions for Milan, Italy (4A); Barcelona, Spain (3A); and Oslo, Norway (6A). HP and HP-TES performance maps were generated using Modelica-based transient models and co-simulated with a prototype residential building using the Spawn of En-ergyPlusTM with simple rule-based controls. Our simulations indicate that PCM-17°C provided annual cost savings at higher peak-to-off-peak cost ratios, as the demand re-duction dominated the savings potential. The recharge energy costs and requirements became more dominant at lower cost ratios, making PCM-22°C more beneficial at lower cost ratios. Finally, despite Oslo's heating-dominated climate, the utility peak hours favor cooling demand reductions, making PCM-17°C more appealing. In all cases, the cost savings potential stabilized between 4 – 10% regardless of cost ratio, suggesting that system-level component and operation control optimization is required to maximize cost savings further.
25 ENERGY STORAGE↗
Year-Round Experimental Demonstration of a Thermal Energy Storage–Integrated Heat Pump for Space Cooling and Heating Load Shifting
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Qiao, Yiyuan [ORNL] (ORCID:0000000164986153)↗
Grid Service Values of Generic Marginal Building Flexibility in Modeled 2030 U.S. Power Systems
The datasets include the capacity, energy, and ancillary service values of a marginal kilowatt-hour (kWh) of generic, daily, shiftable building flexibility as a presumed market entrant in the 2030 U.S. power systems. The results should be interpreted along with the caveats listed in "Valuation of Building Flexibility: Grid Service Value for Initial Market Entrants in Projected 2030 United States Power Systems", which also documents the methods used for the study. The factors examined in the study include: grid scenario, region, original usage hour in the day (local time), and building flexibility parameters - efficiency, dissipation, and shifting window include max pre-shift and max post-shift. Filenames in the datasets: The filenames contain information on the grid scenario, and the building flexibility efficiency and dissipation. For example: MidCase_2030_efficiency1.25_dissipation0.05_value.csv contains all results under Mid RE 2020, efficiency = 1.25, and dissipation = 0.05. * MidCase = Mid RE Each .csv file contains: region: The location of the building flexibility, aligned with U.S. Energy Information Administration (EIA) National Energy Modeling System (NEMS) Electricity Market Module regions. max_pre_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift earlier. max_post_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift later. local_datetime: Original datetime of 1kWh of building energy consumption. local_orig_h: Original usage hour (1-24) of building energy consumption, ignores daylight saving. local_shift_to: The datetime to when building energy consumption shifts, if shifting happens. If no shifting occurs, this cell is left blank. energy: Net energy value of energy shifting. capacity: Net capacity value of energy shifting. shifting_value: Net energy plus capacity value of energy shifting. spin: Spin reserve value at the original datetime of consumption. flex: Flexible reserve value at the original datetime of consumption. reg: Regulation reserve value at the original datetime of consumption. total_profit: Assuming the building flexibility is capable of providing energy, capacity, and ancillary services, total profit is the maximum value of energy shifting value, spin reserve value, flexible reserve value, and regulation reserve value - one of the four choices at any given hour - because we do not allow its value to be double-counted.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Molten Salt Reactor Experiment Simulation using Shift/Griffin
The Department of Energy (DOE)’s NEAMS focuses its efforts on the development of advanced modeling and simulation (M&S) tools for light-water reactors (LWRs) and non–LWRs (i.e., molten salt reactors, high-temperature gas reactors, microreactors, and fast reactors). In the previous fiscal year, the Multiphysics Applications Driver Technical Area funded molten salt reactor (MSR) M&S at Oak Ridge National Laboratory (ORNL) to generate multigroup macroscopic cross sections with Shift for a MSRE 2D lattice model in Griffin. In addition, Shift’s capability to calculate gamma dose rates from activated components in the primary exchangers in a molten salt breeder reactor was also demonstrated. In fiscal year 2023, ORNL generated multigroup macroscopic cross sections using Shift for a 3D MSRE core model. MSRE depletion calculations using Griffin were also demonstrated in this fiscal year. For the depletion calculation, one-group microscopic cross sections for the 3D MSRE core were generated using Shift, and the decay transmutation library from ORIGEN was converted to an ISOXML file, which is required as input in Griffin. Several Monte Carlo codes, such as OpenMC and Serpent, were also used to benchmark and supplement multigroup cross sections generated by Shift. Multigroup libraries were generated with 8 and 20 group structures, and the study found the 8-group structure to be more accurate when comparing Griffin results to continuous energy (CE) Monte Carlo results. The average flux from CE Shift calculations is up to ~6% higher than the CE Serpent calculations because of different values applied for the energy released per fission (κ values). The average flux in the fuel salt calculated by Griffin using cross sections generated with Shift agrees well with the reference CE Shift solution; the same is valid for the corresponding Serpent results. The maximum relative error is ~6% and ~2% compared to the CE Shift and Serpent reference solutions, respectively. Meanwhile, the average flux calculated by Griffin in the graphite moderator shows a higher difference in the thermal range when compared to both reference Monte Carlo solutions; this result suggests a need for improvement in cross section generation for the graphite moderator in the thermal range in both Monte Carlo codes. Griffin depletion calculations using cross sections from Shift and Serpent were performed and compared against ORIGEN calculations, and the nuclide densities calculated by Griffin were found to be generally in agreement with those of ORIGEN. Because a different approach was taken to calculate the energy released per fission ( κ values) in Shift and Serpent, a difference in nuclide densities from differences in the average flux was observed between Griffin using Serpent and Shift cross sections. Griffin calculations with Shift cross sections produced higher average flux in the salt than with Serpent cross sections, leading to higher consumption of 235 U and higher production of 135 Xe. For time-dependent depletion calculations, cross sections were generated with Serpent, and Griffin’s results using these cross sections were compared to CE Serpent depletion results, demonstrating good agreement. The average difference in keff between Serpent and Griffin as a function of burnup is about 155 pcm. Similarly, good agreement with small differences up to ~0.5% was also noticed in the nuclide density of 235 U and 135 Xe. More details regarding the methodologies invoked to generate the cross section to make code-to-code comparisons are discussed further in this report. User feedback on Griffin and Shift capabilities that will enhance these calculations is provided in this report for future consideration. The work performed this fiscal year can be extended further for multiphysics coupling of Griffin-Pronghorn/SAM with Mole to study precursor flow and salt chemistry.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Charging needs for electric semi-trailer trucks
Battery-electric vehicles provide a pathway to decarbonize heavy-duty trucking, but the market for heavy-duty battery-electric semi-trailer trucks is nascent, and specific charging requirements remain uncertain. We leverage large-scale vehicle telematics data (>205 million miles of driving) to estimate the charging behaviors and infrastructure requirements for U.S. battery-electric semi-trailer trucks within three operating segments: local, regional, and long-haul. We model two types of charging - mid-shift (fast) and off-shift (slow) - and show that off-shift charging at speeds compatible with current light-duty charging infrastructure (i.e., =350 kW) can supply 35% to 77% of total energy demand for local and regional trucks with =300-mile range. Megawatt-level speeds are required for mid-shift charging, which make up 44% to 57% of energy demand for long-haul trucks with =500-mile range. However, demand shifts from mid-shift to off-shift charging as the range for battery-electric trucks increases and when off-shift charging is widely available. Finally, we observe geographic trends in charging demand, finding that local trucks have greater demand within urban areas, whereas long-haul trucks have more demand along rural interstate corridors. As the range for battery-electric trucks increases, we show that charging demand shifts from rural to urban locations due to observed vehicle dwell tendencies.
33 ADVANCED PROPULSION SYSTEMS↗
Charging Needs for Battery Electric Semi-Trucks
Battery-electric vehicles provide a pathway to decarbonize heavy-duty trucking, but the market for heavy-duty battery-electric semi-trailer trucks is nascent, and specific charging requirements remain uncertain. We leverage large-scale vehicle telematics data (>205 million miles of driving) to estimate the charging behaviors and infrastructure requirements for U.S. battery-electric semi-trailer trucks within three operating segments: local, regional, and long-haul. We model two types of charging; mid-shift (fast) and off-shift (slow), and show that off-shift charging at speeds compatible with current light-duty charging infrastructure (i.e., =350 kW) can supply 35 to 77% of total energy demand for local and regional trucks with =300-mile range. Megawatt-level speeds are required for mid-shift charging, which make up 44 to 57% of energy demand for long-haul trucks with =500-mile range. However, demand shifts from mid-shift to off-shift charging as the range for battery-electric trucks increases and when off-shift charging is widely available. Finally, we observe geographic trends in charging demand, finding that local trucks have greater demand within urban areas, whereas long-haul trucks have more demand along rural interstate corridors. As the range for battery-electric trucks increases, we show that charging demand shifts from rural to urban locations due to observed vehicle dwell tendencies.
ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
Programmable pseudo-random sequence generator for use with universal lidar and its associated method of operation
A pseudo-random sequence generator for use within a universal lidar system and its corresponding method of operation. The pseudo-random sequence generator uses synchronized shift registers that are in series Binary adders are provided. The signal output of each of the shift registers is tapped and directed to the binary adders. High-speed switches are provided between the shift registers and the binary adders. The switches are programmed to connect only two of the shift registers to the binary adders for each of the pseudo-random patterns being generated. The binary adders generate an output signal that is received by the first shift register. The signal propagates through all the shift registers to the last shift register. The last shift register outputs a pseudo-random sequence.
Datta, Shubhashish↗
Field Study of Grid-connected Heat Pump Water Heaters in the Southeast U.S.: The Next Right Thing
The integration of grid-connected functionality and advanced control algorithms into heat pump water heaters (HPWH) offers the capability to shift load with minimal customer impact. This capability provides a flexible grid resource to utilities, while the increased energy efficiency of HPWHs offers customers a lower electric bill. The combined utility/customer value from grid-connected HPWHs is compelling in the Southeast U.S. where residential electric water heating is prevalent and utility load management is common. This paper presents the results of a HPWH load shifting study conducted in Central Florida using the CTA-2045 standard. Building upon previous research in the Pacific Northwest, this study consisted of approximately 45 occupied homes equipped with HPWHs undergoing load shifting strategies weekly for over a year. Curtailment durations ranged from three to five hours in the morning, and four to five hours in the evening to coincide with high-value periods for utility coincident load for system-wide electric demand reductions. During the morning and afternoon, a one- or two-hour load-up event preceded curtailment. Baseline data were collected across varied Florida weather in which no load shifting events were implemented. Results from traditional load shifting strategies were analyzed across seasons and used to devise unique load shifting approaches to increase renewable energy use during periods of high solar energy generation. Regional impacts are forecasted for large-scale implementation of strategies. Lessons learned and recommendations are also provided for how utilities, manufacturers, and regional planners can maximize load shifting benefits from grid-connected HPWHs.
Heat pump water heaters, residential building, loa↗
Alpha-alpha scattering in the Multiverse
We investigate the phase shifts of low-energy α-α scattering under variations of the fundamental parameters of the Standard Model, namely the light quark mass, the electromagnetic fine-structure constant as well as the QCD θ-angle. As a first step, we recalculate α-α scattering in our Universe utilizing various improvements in the adiabatic projection method, which leads to an improved, parameter-free prediction of the S- and D-wave phase shifts for laboratory energies below 10 MeV. We find that positive shifts in the pion mass have a small effect on the S-wave phase shift, whereas lowering the pion mass adds some repulsion in the two-alpha system. The effect on the D-wave phase shift turns out to be more pronounced as signaled by the D-wave resonance parameters. Variations of the fine-structure constant have almost no effect on the low-energy α-α phase shifts. We further show that up-to-and-including next-to-leading order in the chiral expansion, variations of these phase shifts with respect to the QCD θ-angle can be expressed in terms of the θ-dependent pion mass.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Zeolite Membrane Reactor for Pre-Combustion Carbon Dioxide Capture (Final Scientific/Technical Report)
Water-gas shift (WGS) reaction followed by carbon dioxide (CO 2 ) separation is a critical step in the integrated gasification combined cycle (IGCC) process for fossil-fuel-fired electrical power generation with CO 2 capture. To intensify the IGCC process hydrogen-permselective zeolite membrane reactor offers promise to replace the conventional energy-intensive fixed-bed reactors and solvent-based CO 2 capture units. The objectives of this project were to develop a bench-scale zeolite membrane reactor (total membrane area: 932 cm 2 for a 21-tube membrane bundle) for the water-gas-shift reaction of raw syngas from an oxygen-blown coal-gasifier for H 2 production with simultaneous CO 2 separation at the capability of about 2 kilograms H 2 per day (equivalent to 2 kW IGCC power plant) and to demonstrate significant progress toward achieving overall performance goal of 90% CO 2 capture rate with 95% CO 2 purity at the cost of electricity 30% less than the baseline carbon capture approaches. This report summarizes results obtained in this project on scaling up the zeolite membrane reactor by a factor of 200 in membrane area, tests of the bench-scale zeolite membrane reactor for the water-gas-shift reaction at high temperature and high-pressure, and techno-economic analysis of the integration of the zeolite membrane reactor in IGCC power plant for the electrical generation with CO 2 capture. With effective pore modification by catalytic cracking deposition of MDES (methyldiethoxysilane), fabrication of MFI-type zeolite membranes was successfully scaled-up from a lab-scale disk type to bench-scale multiple-tube bundles on low-cost alumina supports. A Co-Mo based sour shift catalyst was evaluated and used in the zeolite membrane reactors for water-gas-shift reaction. The reaction kinetic and gas-permeation equations were developed and employed in mathematic models to guide/predict experiments/performance of zeolite membrane reactors for water-gas shift reaction. Multiple-tube zeolite membrane bundles and reactors were designed, fabricated and tested for gas separation and water-gas-shift reactions with real raw syngas from a coal-fired gasifier operated at high temperature and pressure. The zeolite membrane reactors demonstrated good long-term thermal and chemical stability and constant H 2 permeance (>300 GPU) together with a Knudsen selectivity (~4.7) for H 2 over CO 2 in the field test (cumulative time >28 hours) with high-sulfur coal-derived syngas. The zeolite-membrane-reactor integrated IGCC process was designed using the performance experimentally measured by the University of Cincinnati team with a single-tube zeolite membrane reactor that offers a CO conversion >98% with more than 90% of CO 2 and H 2 captured. With the above integrative approaches, a techno-economic analysis for a cost-benefit comparison was performed to uncover features that determine the power output, capital expenditure, operating expenditure, cost of electricity and cost of CO 2 capture in a 550-MW zeolite-membrane-reactor integrated IGCC process. The integration of the zeolite membrane reactor in IGCC could provide a significant reduction of 80% and 27% in the power consumption for Selexol™ Acid Gas Removal and CO 2 compression, respectively, which lowers the total auxiliary power consumption by 12.5%. However, the low pressure required at permeate stream for maintaining the driving force of hydrogen permeation through the zeolite membrane costs a huge power in permeate compressor, compensating the power consumption reduction achieved with the membrane reactor. Thus, for coal-fired IGCC for electricity generation with 90% CO 2 captured, the integration of the membrane reactor could provide a CO conversion ~99% and a significant drop in cost-of-electricity using zeolite membrane with H 2 permeance >600 GPU and the H 2 /CO 2 selectivity over 70.
01 COAL, LIGNITE, AND PEAT↗
Changes in SSL Device Efficiency and Optical Performance Under Accelerated Aging Conditions
Lighting application efficiency (LAE) describes the efficient delivery of light from the light source to the lighted task and is viewed as a new frontier—increasing energy savings with solid-state lighting (SSL) technologies. The framework for LAE that is proposed by the U.S. Department of Energy (DOE) consists of four major elements: light source efficiency, optical delivery efficiency, spectral efficiency, and intensity effectiveness. This report focuses on a sampling of the available SSL products that can be broadly defined as having modified spectral output because the method of spectra modification has a significant impact on light source efficiency and long-term optical delivery and spectral efficiencies. This report focused on the changes in light source, optical delivery, and spectral efficiencies that occur during aging of SSL devices. An accelerated stress test (AST) regiment was developed for the devices under test (DUTs) examined in this report to provide insights into how the performance of SSL devices change with aging. The AST protocols demonstrate that the SSL products discussed in this report often reduce light source efficiency to achieve different spectral characteristics. In addition, aging of the optical components (e.g., lenses, solder masks) in SSL devices can produce increased light absorption, which negatively impacts optical delivery efficiency and light source efficiency. The modified spectral outputs of the selected SSL products discussed in this report come in a variety of form factors and achieve enhanced optical performance by using a variety of methods. All of the products examined in this study use mid-power light-emitting diodes (MP-LEDs), although the number, configuration, phosphor content, and light-emitting diode (LED) pump of the MP-LEDs differ. Product MS-1 is a 60-watt (W) replacement A19 lamp with a hermetically sealed glass globe, which contains an embedded optical filter to absorb green and yellow emissions, thereby creating a “sunlike” modified spectrum. Product MS-2 is a 60-W replacement A19 lamp with 30 MP-LEDs, and it uses a violet LED pump, along with green and red phosphor emissions, to produce a “healthy” spectrum. This spectrum omits blue emissions in an effort to reduce melanopic lux. Product MS-3 is an LED module consisting of 21 MP-LEDs that use a violet LED pump, along with blue, green, and red phosphors, to produce a “sunlike” spectrum. Products MS-4 and MS-5 are both 6-inch (in) downlights that use a manual switching mechanism so that users can select application-specific correlated color temperatures before installation. Products MS-4 and MS-5 both contain two LED primaries (2,700 Kelvin [K] and 5,000 K) for spectral tuning. Product MS-4 contains 12 MP-LEDs for each LED primary, and Product MS-5 contains 10 MP-LEDs for each LED primary. This report summarizes the overall findings from up to 8,000 hours (hrs) of AST on the lamp DUTs (Products MS-1 and MS-2); up to 5,000 hrs of AST on the LED light engine DUTs (Product MS-3); and up to 7,000 hrs of AST on the downlight DUTs (Products MS-4 and MS-5). The AST procedures used in this study included a room temperature operational life (RTOL) test, an operational life test conducted at 45 degrees Celsius (°C; 45OL) test, an operational life test conducted at 75°C (75OL), a wet high-temperature operational life test performed at 65°C and 90% relative humidity (6590), and a wet high-temperature operational life test performed at 75°C and 75% relative humidity (7575). The AST procedures used for Products MS-1 and MS-2 were RTOL, 45OL, and 6590. The AST procedures used for Products MS-3, MS-4, and MS-5 were RTOL, 75OL, and 7575. During the ASTs described herein, separate populations of each product (three DUTs in each population for Products MS-1, MS-2, MS-4, and MS-5; four DUTs in each population for Product MS-3) were subjected to power cycling of 1 hr on and 1 hr off. The key findings from this study include the following. Enhanced optical performance came at the cost of reduced light source efficiency for the lamps and light engines examined in this study. The optical filter used to produce a “sunlike” spectrum for Product MS-1 reduced light source efficiency by 26%, from 113 lumens per watt (lm/W) to 85 lm/W. Products MS-2 and MS-3 that used a violet-pumped LED to achieve “healthy” and “sunlike” enhanced optical performance, respectively, suffered the largest reduction in initial light source efficiency (49 lm/W for Product MS-2 and 68 lm/W for Products MS-3) perhaps because of the use of violet LED as the optical pump. Product MS-2 also had the poorest color fidelity because of undersaturation of blues and oversaturation of greens and yellows. Chromaticity maintenance of the products in this study was generally good, with parametric failure only occurring for one product at one AST condition (i.e., Product MS-3 at 7575). The chromaticity shift for Product MS-3 in 7575 test conditions resulted from reduced emissions of the broad green and red phosphors used to mimic sunlight in the 500–750 nanometer (nm) range. As a result of these phosphor emission losses, chromaticity shifted toward the more stable violet-pumped LED and blue phosphor. Although chromaticity maintenance was acceptable for most products tested, different chromaticity shift mechanisms were observed for temperature and humidity tests compared with temperature alone for Products MS-1, MS-2, and MS-3. For Product MS-1, a relative increase in green emissions was observed with humidity, which may indicate humidity-accelerated degradation of the optical filter at green wavelengths (optical delivery efficiency reduction) or degradation of the emitters in the red region (spectral efficiency reduction). The violet-pumped products (i.e., MS-2 and MS-3) exhibited different chromaticity shift behavior in the temperature-humidity environments, with Product MS-2 shifting generally yellow because of photo-induced oxidation of the plastic globe (i.e., a reduction of optical delivery efficiency) and Product MS-3 shifting toward violet and blue emitters because of faster loss of emission from green and red phosphors (i.e., a reduction in spectral efficiency). Because of an initial drop in power consumption, the light source efficiency of downlights (Products MS-4 and MS-5) increased at RTOL throughout the test duration. The light source efficiency initially increased during 75OL until a decay in luminous flux maintenance (LFM) dominated light source efficiency, whereas the light source efficiency decreased for the entire 7575 test duration. It was found that increasing the ambient environment of an SSL device from 25°C to 75°C decreases the LFM by 2.7 to 5.5, depending on design of the SSL device. Adding humidity to the system (75OL to 7575) was found to decrease LFM by another factor of approximately 3.0. A common location of failure was identified for the downlights (Products MS-4 and MS-5) operated in the 7575 environment. This failure abruptly occurred between 3,000 to 5,000 hrs of testing on the film capacitor of the electromagnetic interference (EMI) filter near the diode bridge for 11 of the 12 downlights. It is likely that this failure was caused by a combination of the high electrical voltage across the capacitor, the location of the capacitor near the heat sources (e.g., transformers, diode bridges, power resistors), and the high stress environment of 7575. Longer test times are needed to fully understand the LFM, luminous efficacy changes, and chromaticity shifts for some of the products. Because of the high reliability, light source efficiency, and spectral tuning capabilities of LEDs, the expectations of LAE for SSL products are greatly increased over traditional lighting products. The data gathered in this report begin to provide an understanding of the tradeoffs that current SSL products undergo when optimizing the different efficiency elements of LAE. As discussed in this report, the findings from the tests conducted show that the optimization of spectral efficiency can come at the cost of initial light source efficiency. Furthermore, the introduction of violet LEDs can promote long-term optical delivery efficiency degradation, and the introduction of optical filters or new phosphors can lead to unwanted spectral efficiency changes because the ratio of phosphor emitters changes with aging. The data presented in this report also identified a common failure location in 6-in downlights. The results regarding long-term behavior of the modified spectra devices studied provide valuable information about changes to the light source, spectral, and optical delivery efficiencies as the devices age. This information can be used to improve future SSL designs.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Methods for Computing Physically Realistic Estimates of Electric Water Heater Demand Response Resource Suitable for Bulk Power System Planning Models
Demand response is commonly called on to reduce load during system peak times or to respond to contingency events. In future power systems with higher shares of wind and solar generation (which we describe together as variable generation [VG]), demand response could have more opportunities to provide energy shifting or operating reserve services. This report evaluates the ability of residential electric water heaters, both electric resistance water heaters (ERWHs) and heat pump water heaters (HPWHs), to provide such services starting from detailed whole-building energy models that realistically represent New England single family home stock. We use a parsimonious surrogate model to represent operational flexibility in a form suitable for linear and mixed integer programming. This enables relatively fast determination of aggregate contingency reserve resource, price-taking energy shifting outcomes, and in some cases the determination of aggregate models at the megawatt (MW) scale that can be directly included in large-scale grid models. After selecting modeling methods and parameters through various computational experiments, we find interquartile ranges of contingency reserve resource in ISO-NE for about 603,400 ERWHs of 45 MW - 69 MW for Claim10 (50 minute responses provided with 10 minutes of advanced notification) and 65 MW - 102 MW for Claim30 (30 minute responses provided with 30 minutes of advanced notification), and for about 619,000 HPWHs of 48 MW - 88 MW for Claim10 and 52 MW - 90 MW for Claim30. The overall reserve resource is up to 32% of total load for ERWHs providing Claim10 service, 47% for ERWHs providing Claim30 service, 93% for HPWHs providing Claim10 service, and 97% for HPWHs providing Claim30 service. More work is required to determine if HPWHs are inherently more suitable than ERWHs for providing contingency reserve or if these results reflect idiosyncrasies of the single family home stock model used in this study. The value of this contingency resource in a Near-term VG model of ISO-NE is $\$ 0.40$ to $\$1.20$ per water heater-year, and significantly larger, $\$ 3.80$ to $\$ 5.30$ per water heater-year in a Mid-term VG model of ISONE. Aggregating surrogate models to the MW-scale for energy shifting service is more challenging than for contingency service and we only present such results for ERWHs, because we were unable to determine satisfactory ways to deal with HPWHs' time-varying and path dependent operational characteristics. Individual surrogate models suitable for evaluating the energy shifting resource from both ERWHs and HPWHs are created, however, and dispatched against day-ahead prices from the Near-Term VG and Mid-Term VG models of ISO-NE. The individual surrogate models are able to access and potentially shift all 640 GWh of HPWH load and 1,547 GWh of ERWH load we modeled in two different single family home stock models. In contrast, the most effective model of aggregate ERWH shifting resource we created only captured 34.7% of the total ERWH load. Energy shifting affected by price-taking dispatch against modeled day-ahead energy prices produces per water heater year profits of $\$19.44$ - $\$22.93$ for individual HPWHs, $\$39.11$ - $\$40.54$ for individual ERWHs, and up to $\$4.00$ - $\$4.24$ for aggregated ERWHs, with the variations mainly due to grid conditions (more or less VG). When the supply-side response to these changes is accounted for, the per water heater year production cost savings for ISO-NE are $\$7.50$ to $\$17.70$ for the most effective set of endogenously dispatched aggregate ERWHs, $\$15.60$ to $\$15.70$ for individual ERWHs dispatched against the DA prices, and $\$10.70$ to $\$11.20$ for individual HPWHs dispatched against DA prices. Those ranges primarily represent the difference between Near-Term VG and Mid-Term VG grid conditions.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Pitch-Angle Diffusion in the Earth’s Magnetosphere Organized by the Mozer-Transformed Coordinate System
In the Earth’s dipole magnetosphere finite-gyroradius effects produce a shift of the atmospheric loss cone away from the direction of the magnetic field. This loss-cone shift is theoretically described by the “Mozer transform”, which is based upon the curvature drift of particles crossing the equatorial plane. For positive ions the northern and southern loss cones both shift westward and for electrons the northern and southern loss cones both shift eastward. This loss-cone shift is part of a coordinate-system transform, with the transformed coordinates better organizing the behavior of particle orbits in the dipole magnetic field (e.g. first adiabatic invariants, mirror heights, and bounce times). In this report it is demonstrated that the transformed coordinate system also properly organizes pitch-angle diffusion. This improved organization of the diffusion is true whether the angular scattering is produced by plasma-wave scattering or by field-line-curvature (FLC) scattering. It is shown that FLC scattering and the loss cone shift are linked, so that if FLC scattering is occurring, there is a loss cone shifted away from the magnetic-field direction and the Mozer-transformed coordinates are needed.
79 ASTRONOMY AND ASTROPHYSICS↗
Systematic study on the phase transition of confined fluid mixture up to the critical region
Systematic experimental study on the phase transition of confined fluids up to the critical region has been performed, in which many new insights have been obtained. For confined pure fluids, compared to the bulk phase, the critical point shifts to lower pressure and temperature, but the relative shift of critical pressure is much larger than that of critical temperature. The behavior of the shift, i.e., the shift as a function of pore size, is dependent on the pore type. For confined fluid mixtures, compared to the bulk phase, the critical point also shifts to lower pressure and temperature, and the relative shift of critical pressure is also much larger than that of critical temperature. Confined fluid mixture behaves similarly to confined pure fluid, i.e., it exhibits hysteresis at lower temperature range and does not exhibit phase coexistence or phase envelope. An equation of state for confined pure fluids, based on the Generalized van der Waals partition function, has also been developed and demonstrated to accurately predict the capillary condensation of simple molecules in MCM-41. The parameters of the equation of state are derived from experimental critical point.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Analytic and numerical vibronic spectra from quasi-classical trajectory ensembles
The truncated Wigner approximation to quantum dynamics in phase space is explored in the context of computing vibronic line shapes for monomer linear optical spectra. We consider multiple model potential forms including a shifted harmonic oscillator with both equal and unequal frequencies on the ground and excited state potentials as well as a shifted Morse potential model. For the equal-frequency shifted harmonic oscillator model, we derive an analytic expression for the exact vibronic line shape that emphasizes the importance of using a quantum mechanical distribution of phase space initial conditions. For the unequal-frequency shifted harmonic oscillator model, we are no longer able to obtain an exact expression for the vibronic line shape in terms of independent deterministic classical trajectories. We show how one can rigorously account for corrections to the truncated Wigner approximation through nonlinear responses of the line shape function to momentum fluctuations along a classical trajectory and demonstrate the qualitative improvement in the resulting spectrum when the leading-order quantum correction is included. Finally, we numerically simulate absorption spectra of a highly anharmonic shifted Morse potential model. We find that, while finite quantization and the dissociation limit are captured with reasonable accuracy, there is a qualitative breakdown of the quasi-classical trajectory ensemble’s ability to describe the vibronic line shape when the relative shift in Morse potentials becomes large. The work presented here provides clarity on the origin of unphysical negative features known to contaminate absorption spectra computed with quasi-classical trajectory ensembles.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗