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At least 1,171 records · Page 65

Engineered Structured Sorbents for the Adsorption of Carbon Dioxide and Water Vapor from Manned Spacecraft Atmospheres: Applications and Testing 2008/2009

This paper describes efforts to improve on typical packed beds of sorbent pellets by making use of structured sorbents and alternate bed configurations to improve system efficiency and reliability. The benefits of the alternate configurations include increased structural stability gained by eliminating clay bound zeolite pellets that tend to fluidize and erode, and better thermal control during sorption to increase process efficiency. Test results that demonstrate such improvements are described and presented.

Howard, David F.↗

Benefit Opportunities for Integrated Surface and Airspace Departure Scheduling: A Study of Operations at Charlotte-Douglas International Airport

NASA is collaborating with the FAA and aviation industry to develop and demonstrate new capabilities that integrate arrival, departure, and surface air-traffic operations. The concept relies on trajectory-based departure scheduling and collaborative decision making to reduce delays and uncertainties in taxi and climb operations. The paper describes the concept and benefit mechanisms aimed at improving flight efficiency and predictability while maintaining or improving operational throughput. The potential impact of the technology is studied and discussed through a quantitative analysis of relevant shortfalls at the site identified for initial deployment and demonstration in 2017: Charlotte-Douglas International Airport. Results from trajectory analysis indicate substantial opportunity to reduce taxi delays for both departures and arrivals by metering departures at the gate in a manner that maximizes throughput while adhering to takeoff restrictions due mostly to airspace constraints. Substantial taxi-out delay reduction is shown for flights subject to departure restrictions stemming from traffic flow management initiatives. Opportunities to improve the predictability of taxi, takeoff, and climb operations are examined and their potential impact on airline scheduling decisions and air-traffic forecasting is discussed. In addition, the potential to improve throughput with departure scheduling that maximizes use of available runway and airspace capacity is analyzed.

air traffic management↗

Searching for Hyperspectral Optical Proxies to Aid Chesapeake Bay Resource Managers in the Detection of Poor Water Quality

Shellfish aquaculture is a growing industry in the Chesapeake Bay. As population grows near the coast, extreme weather events cause a greater volume of pollutant runoff from impervious surfaces and agricultural lands. Resource managers who monitor shellfish beds need reliable information on a variety of water quality indicators at higher frequency than is possible through field monitoring programs and at a higher level of detail than current satellite products can provide. Although many factors causing degraded water quality that can impact human health are not currently discernable by traditional multispectral techniques, hyperspectral imagery offers a new opportunity to detect phytoplankton communities associated with harmful algal blooms and biotoxin production. Together with resource managers in their routine monitoring of sites around the bay from small boats, we have been exploring remotely sensed optical proxies for the detection of harmful algal blooms and sewage. Early warning by remote sensing could guide sampling and improve the efficiency of shellfish bed closures, ultimately improving health outcomes for humans and animals. An extensive network of routine sampling by Chesapeake Bay Program managers makes this is an ideal location to develop and test future satellite data products to support management decisions. Next generation hyperspectral measurements from the future Plankton Aerosol Cloud ocean Ecosystem (PACE) mission at nearly daily frequency, combined with the potential of higher spatial resolution from the Surface Biology and Geology (SBG) observing system recommended in the recent Decadal Survey, along with high frequency observations from the newly selected Geostationary Littoral Imaging and Monitoring Radiometer (GLIMR) Earth Venture Instrument make this a critical time for defining the needs of the aquaculture and resource management community to save lives, time, and money.

Schollaert Uz, Stephanie↗

Vacuum Sealable Container (VSC) and Astronaut Lunar Drill (ALD) for Artemis

Introduction: NASA’s Artemis Program is under development to send first woman and next man to the Moon. Artemis will utilize a suite of new technology for Lunar exploration, including new space vehicles, new space suits, and new Astronaut Tools. Honeybee Robotics has been working with NASA JSC to develop a new Vacuum Sealable Container (VSC) and new Astronaut Lunar Drill (ALD) for the upcoming Artemis missions. Vacuum Sealable Container: Sample return continues to be the “Holy Grail” of space exploration, allowing for the analysis of materials using Earth-based laboratories instead of needing to miniaturize and ruggedize instrumentation for space. The Apollo missions to the Moon had several kinds of Sealable Containers which brought back Lunar samples for analysis [1]. These samples are still being analyzed, fifty years later. The VSC requirements are different from that for Apollo containers and as such, new development was required. One major difference between Artemis samples and those from Apollo is the desire to bring back volatiles which may be part of lunar regolith. The VSC is designed to withstand a high-pressure differential caused by sublimating volatiles. Because of the new, stricter sealing requirements, additional features have been added to the VSC. For example, the seal on the container is required to be more robust, thus required more force to actuate, and the seal must be locked in place with a secondary mechanism. Astronaut Lunar Drill: The ALD is designed to be a multi-functional platform for Lunar sample acquisition. The drill builds on lessons learned from the Apollo Lunar Surface Drill (ALSD), as well as Honeybee’s long history of mechanized sample acquisition devices for space [2]. The main functionality of the ALD is Deep Core Regolith Drilling. Additional functionality includes Surface Rock Coring (SRC), and GeoTech Tools (GTT). The ALD is a rotary-percussive drill designed with deep drilling in mind. The ALD is currently designed to have decoupled rotary and percussion subsystems to allow for maximum battery life and reduced fatigue on the crewmember. Honeybee drill technology will automatically engage the percussion when needed to drill at maximum efficiency. The mechanized drill stand helps improve drilling efficiency; the system utilizes advanced drilling algorithms which only require the crewmember to hold a single switch. Additionally, the stand aids in extraction of deep cores, something which was a problem on Apollo. The SRC functionality of the ALD utilizes Honeybee’s Eccentric Tube Core Breakoff technology to collect and retain rock core samples. This technology has also been infused into the Perseverance rover mission. The ALD is removable from the stand to allow crewmembers to collect samples from large boulders. Bringing back rock cores samples instead of full rocks allows for a wider variety of samples to be returned to Earth for study and puts them in a uniform form-factor for effective sealing and analysis. SRC bits will utilize the power of the drill’s percussion system to drill hard Lunar rocks and expedite sample acquisition. The mechanized stand on the ALD allows for additional attachments for taking geotechnical measurements with a Static Cone Penetrometer (SCP) and a Shear Vane (SV). With the stand, the ALD can take SCP measurements with the touch of a button, storing data for return to Earth. SV measurements utilize the ALD’s Rotary motor to spin the vanes in a controlled manner, getting clean data untampered by human error. References: [1] Bar Cohen and Zacny (2009), Drilling in Extreme Environments - Penetration and Sampling on Earth and Other Planets, Wiley. [2] Bar-Cohen and Zacny, Advances in Terrestrial and Extraterrestrial Drilling, CRC Press. [3] Myrick (2003), Core Break-off Mechanism. US Patent No. 6,550,549 Acknowledgements: This work has been supported by NASA via SBIR Phase 3.

Artemis↗

Cryogenic Spray Quenching of A Simulated Propellant Storage Tank Wall With Heat Transfer Enhancement By A Thin-Film Coating and Flow Pulsing in Microgravity

Human space exploration to the Moon, Mars, and possibly asteroids is NASA’s biggest challenge for the new millennium. One of the critical elements to this mission is the effective, sufficient, and reliable supply of cryogenic propellant fluids. Future lower-earth-orbiting (LEO) propellant fuel depots and human-carrying orbital transfer spacecraft flying to the moon and Mars will have to utilize the high thrust and high efficiency of liquid cryogenic chemical propulsion or nuclear thermal propulsion. Efficient in-space tank-to-tank propellant transfer (propellant fuel depot to orbital transfer spacecraft) of cryogenic propellants is an enabling technology for the planned Crewed Mars Surface Mission. The transfer of cryogenic propellants in space, however, has yet to be accomplished, solely due to the unavailability of cryogenic quenching heat transfer data during chilldown (quenching) and filling of the propellant receiver tank in reduced gravity and microgravity as liquid propellant cannot be stored in a required liquid state until the tank is quenched down to the liquid temperature. Therefore, highly energy efficient thermal-fluid management breakthrough concepts to conserve and minimize the cryogen consumption during propellant transfer have become the focus of research and engineering development, especially for the deep-space mission to Mars. In this paper, we introduce such concepts and demonstrate their feasibility for cryogenic storage tank chilldown in parabolic flights under a simulated space microgravity condition. In order to maximize the storage tank chilldown efficiency for the least amount of cryogen consumption, the technology adopted included cryogenic spray cooling, Teflon thin-film coating of the simulated tank surface, and spray flow pulsing. The completed flight experiments successfully demonstrated that spray cooling is the most efficient cooling method for the tank chilldown in microgravity. In microgravity, Teflon coating alone can improve the efficiency up to 72% and the efficiency can be improved up to 59% by flow pulsing alone. However, Teflon coating together with flow pulsing was found to substantially enhance the chilldown efficiency in microgravity for up to 113%.

spray↗

Multilevel-in-Space-and-Energy CMFD in VERA

For full-core modeling in the Virtual Environment for Reactor Analysis (VERA), the three-dimensional multigroup eigenvalue neutron transport problem is solved by MPACT. To improve the efficiency of MPACT, advancements have been made in the transport accelerator. Multilevel-in-energy and multilevel-in-space coarse mesh finite difference (CMFD) solvers were developed to improve the efficiency of the CMFD accelerator. In this paper a new multilevel-in-space-and-energy CMFD solver is developed with coarsening in both space and energy on every level. Several different strategies are investigated for coarsening groups in energy. Modified V-cycle and multiple-cycle algorithms are evaluated for solving the multilevel equations. The performance of these solvers is compared for typical full-core reactor physics problems.

42 ENGINEERING↗

Web Exploration Tools for a Fast Federated Optical Survey Database

We implemented several new web-based tools to improve the efficiency and versatility of access to the APS Catalog of the POSS I (Palomar Observatory-National Geographic Sky Survey) and its associated image database. The most important addition was a federated database system to link the APS Catalog and image database into one Internet-accessible database. With the FDBS, the queries and transactions on the integrated database are performed as if it were a single database. We installed Myriad the FDBS developed by Professor Jaideep Srivastava and members of his group in the University of Minnesota Computer Science Department. It is the first system to provide schema integration, query processing and optimization, and transaction management capabilities in a single framework. The attached figure illustrates the Myriad architecture. The FDBS permits horizontal access to the data, not just vertical. For example, for the APS, queries can be made not only by sky position, but also by any parameter present in either of the databases. APS users will be able to produce an image of all the blue galaxies and stellar sources for comparison with x-ray source error ellipses from AXAF (X Ray Astrophysics Facility) (Chandra) for example. The FDBS is now available as a beta release with the appropriate query forms at our web site. While much of our time was occupied with adapting Myriad to the APS environment, we also made major changes in Star Base, our DBMS for the Catalog, at the web interface to improve its efficiency for issuing and processing queries. Star Base is now three times faster for large queries. Improvements were also made at the web end of the image database for faster access; although work still needs to be done to the image database itself for more efficient return with the FDBS. During the past few years, we made several improvements to the database pipeline that creates the individual plate databases queries by StarBase. The changes include improved positions especially for galaxies, using a new median centroider and integrated magnitudes for galaxies with an improved density-to-intensity calibration with a "sky" background subtraction. In the original version of StarBase the object classification fainter than 19.5-20.0 mag., was an extrapolation of the networks trained on brighter objects. We have used a new catalog of galaxies at the NGP to train a neural network on objects fainter than 20th mag. This improved classification is used in the new version of StarBase. We have also added a FITS table option for the returned data from queries on the object catalog. The APS image database includes images in both colors so we have added a tool for querying the image database in both colors simultaneously. The images can be displayed in parallel or blinked for comparison.

Humphreys, Roberta M.↗

Top Stack Optimization for Cu 2 BaSn(S, Se) 4 Photovoltaic Cell Leads to Improved Device Power Conversion Efficiency beyond 6%

Earth-abundant and air-stable Cu 2 BaSnS 4-x Se x (CBTSSe) and related thin-film absorbers are regarded as prospective options to meet the increasing demand for low-cost solar cell deployment. Devices based on vacuum-deposited CBTSSe absorbers have achieved record power conversion efficiency (PCE) of 5.2 % based on a conventional device structure using CdS buffer and i-ZnO/ITO window layers, with open-circuit voltage (V OC ) posing the major bottleneck for improving solar cell performance. The current study demonstrates a >20 % improvement in V OC (from 0.62 V to 0.75 V) and corresponding enhancement in PCE (from 5.1 % to 6.2 % without anti-reflection coating; to 6.5 % with MgF 2 anti-reflection coating) for solution-deposited CBTSSe solar cells. This performance improvement is realized by introducing an alternative successive ionic layer adsorption and reaction (SILAR)-deposited Zn 1-x Cd x S buffer combined with sputtered Zn 1-x Mg x O/Al-doped ZnO window/top contact layer, which offer lower electron affinities relative to the conventional CdS/i-ZnO/ITO stack and better matching with the low electron affinity of CBTSSe. A combined experimental (temperature- and light intensity-dependent V OC measurements) and device simulation (SCAPS-1D) evaluation points to the importance of addressing relative band offsets for both the buffer and window layers relative to the absorber in mitigating interfacial recombination and optimizing CBTSSe solar cell performance.

25 ENERGY STORAGE↗

Approach to Startup Inventory for Viable Commercial Power Plant

Summary • FPP realization within the next 10-15 years will require dedicated efforts to improve DIR, burn fraction, fueling efficiency, and/or processing times. • Modest improvements from either the fuel cycle side or plasma physics side should be possible with considered allocation of R&D funding. • Current gaps in particular include blanket extraction at scale, improved efficiency in isotope separation and detritiation, and maximizing DIR efficiency. • Total costs for FPP construction and commissioning depend heavily on site regulation, so decreases in required SI and OI can lead to large decreases in capital outlay. • Some subsystems in the fuel cycle are required from a environmental management perspective but are both energetically expensive and time consuming, particularly water detritiation. • Low inventories but high capital and operational costs mean a centralized water detritiation plant could greatly improve likelihood of deployment of multiple FPPs on the same time scale.

MALONE, COLLIN↗

Performance of direct injected propane and gasoline in a high stroke-to-bore ratio SI engine: Pathways to diesel efficiency parity with ultra low soot

This work explores pathways to achieve diesel-like, high-efficiency combustion with stoichiometric 3-way catalyst compatible combustion in a single-cylinder spark ignition (SI) research engine. A unique high stroke-to-bore engine design (1.5:1) with cooled exhaust gas recirculation (EGR) and high compression ratio ( r c ) was used to improve engine efficiency by up to 30% compared with a production turbocharged gasoline direct injection spark ignition engine. Engine experiments were conducted with both 91 RON E10 gasoline and liquified petroleum gas (LPG) (i.e. autogas) and were compared to legacy gasoline data on the production engine. Geometric compression ratio ( r c ) of 13.3:1 was used for both fuels with additional experiments at 16.8:1 for LPG only. Measurements of exhaust soot particle size and number concentrations were made with both fuels. Significant reduction in soot particles across the whole particle size range were achieved with LPG due to the elimination of in-cylinder liquid films. The effects of EGR, late intake valve closing (IVC) and fuel characteristics were investigated through their effects on efficiency, combustion stability and soot production. Results of 47% gross thermal efficiency, and 45% net thermal efficiency at stoichiometric engine operation, at up to 17 bar IMEP and 2000 r/min with 16.8:1 r c were achieved with LPG. Estimated brake efficiency values were compared to a contemporary medium duty diesel engine illustrating the benefits of the chosen path for achieving diesel efficiency parity.

33 ADVANCED PROPULSION SYSTEMS↗

Recovery and separation of precious metals from space

During the past year a viable procedure centered around centrifugal partition chromatography (CPC), a multistage liquid-liquid partitioning technique for the separation of precious metals (Pt, Pd, Rh, Ir, Os, Ru), was developed. Stable and inexpensive ligands that can be readily recycled to achieve the separations of the precious metals were identified. The separation methods developed so far yield three separate fractions: Pt, Pd, and Rh-Ir. The Rh-Ir pair can be separated in a subsequent run. The total amount of precious metals separated in a single experiment varied from 1 to 50 mg. The factors affecting the efficiencies of these separations were studied. The kinetics of the decomposition of the complex and the ion pair have a major bearing on these efficiencies, with slow kinetics resulting in poor efficiencies. The methods for the improvement of the efficiencies were also investigated. For example, significant improvement in the efficiencies and separation times for Pt and Pd were achieved by the use of chloride gradient in the mobile phase. Two papers were published and talks were presented on our work at the FACSS meeting in Anaheim, Oct. 1991, and at the Pittsburgh Conference in New Orleans, Mar. 1992.

Freiser, H.↗

SGD-Net: Efficient Model-Based Deep Learning with Theoretical Guarantees

Deep unfolding networks have recently gained popularity for solving imaging inverse problems. However, the computational and memory complexity of data-consistency layers within traditional deep unfolding networks scales with the number of measurements, limiting their applicability to large-scale imaging inverse problems. We propose SGD-Net as a new methodology for improving the efficiency of deep unfolding through stochastic approximations of the data-consistency layers. Our theoretical analysis shows that SGD-Net can be trained to approximate batch deep unfolding networks to an arbitrary precision. Our simulations on intensity diffraction tomography and sparse-view computed tomography show that SGD-Net can match the performance of the traditional batch network at a fraction of training and testing complexity.Deep unfolding networks have recently gained popularity for solving imaging inverse problems. However, the computational and memory complexity of data-consistency layers within traditional deep unfolding networks scales with the number of measurements, limiting their applicability to large-scale imaging inverse problems. We propose SGD-Net as a new methodology for improving the efficiency of deep unfolding through stochastic approximations of the data-consistency layers. Our theoretical analysis shows that SGD-Net can be trained to approximate batch deep unfolding networks to an arbitrary precision. Our simulations on intensity diffraction tomography and sparse-view computed tomography show that SGD-Net can match the performance of the traditional batch network at a fraction of training and testing complexity.

97 MATHEMATICS AND COMPUTING↗

Cold-air performance of compressor-drive turbine of department of energy upgraded automobile gas turbine engine. 3: Performance of redesigned turbine

The aerodynamic performance of a redesigned compressor drive turbine of the gas turbine engine is determined in air at nominal inlet conditions of 325 K and 0.8 bar absolute. The turbine is designed with a lower flow factor, higher rotor reaction and a redesigned inlet volute compared to the first turbine. Comparisons between this turbine and the originally designed turbine show about 2.3 percentage points improvement in efficiency at the same rotor tip clearance. Two versions of the same rotor are tested: (1) an as cast rotor, and (2) the same rotor with reduced surface roughness. The effect of reducing surface roughness is about one half percentage point improvement in efficiency. Tests made to determine the effect of Reynolds number on the turbine performance show no effect for the range from 100,000 to 500,000.

Roelke, R. J.↗

Aeroservoelastic Control Law Development for the Integrated Adaptive Wing Technology Maturation Wind-Tunnel Test

The NASA Advanced Air Transport Technology (AATT) Project seeks to “explore and develop technologies and concepts for improved energy efficiency and environmental compatibility for fixed wing subsonic transports” [1]. The IAWTM project is a subproject within AATT and is a joint Boeing/NASA effort to, in part, demonstrate the active control systems necessary to employ high-aspect ratio wings for improved aerodynamic efficiency. The aircraft configuration under study for the IAWTM project is a generic jet transport based on the NASA Common Research Model (CRM) whose wing aspect ratio has been increased to 13.5 (as opposed to nominal CRM aspect ratio of 9) and whose development is given in Ref. [2]. A semi-span model of the high-aspect-ratio CRM with 10 trailing edge control surfaces is currently being fabricated and will be delivered to the NASA Langley Transonic Dynamics Tunnel (TDT). There, several tests will be conducted to demonstrate maneuver load alleviation (MLA), gust load alleviation (GLA), active flutter suppression (AFS), and drag reduction, all at transonic conditions. A layout of the wind tunnel model is shown in Fig. 1. The wind-tunnel model is a spar/pod wing design with a relatively rigid fuselage attached to a mounting structure (seen in Fig. 1), which in turn is attached to a load balance behind the tunnel wall. Shims exist that can be attached to force the load to go through the fuselage rather than through the balance so as not to damage the balance in the event of flutter. The spar/pod design is similar to that used in the Boeing truss-braced wing aeroelastic model tested in the TDT in 2013 [3]. There is a central spar running the span of the wing to which the pods are attached that form the aerodynamic shape of the wing. The pods are constructed of ribs for attachment to the spar and skins to create the outer mold line. There are ten active control surfaces that will be used for the test objectives discussed above. Three of these (two outboard ailerons and one inboard aileron) are high-speed electrohydraulic actuators, and the remaining seven are low-speed mini-plane flaps, which have slower servo motors that will be used primarily for drag and maneuver load reductions. Control laws must be developed for each test (MLA, GLA, AFS, and drag reduction) and must be able to work in tandem when two or more control strategies are being tested simultaneously (e.g., when control laws to mitigate maneuver loads and gust loads operate simultaneously). The development of these control laws requires accurate mathematical representations of the aerodynamics, structural dynamics, and control surface dynamics of the system. Taken together, this mathematical representation—which is often in state-space form— is the ASE model. Three low-order ASE models of differing fidelities were developed for the IAWTM test and will be presented here. The differences in fidelity appeared in the aerodynamic modeling—one model assumed purely linear aerodynamics, while the other two models used different techniques to linearize the aerodynamics about a nonlinear mean. Furthermore, simple observer-based full-state feedback controllers for each test (MLA, GLA, AFS, and drag reduction) were designed from these low-order ASE models and implemented in a higher-order, nonlinear computational ASE simulation to assess the effectiveness of each controller. Observers were designed from each of the three lower-order ASE models, and each (linear) observer was then used as an estimate of the nonlinear dynamics of the system. Using the estimated states and the full-state feedback controller, control surface commands were fed back to the higher-order, nonlinear ASE system. The insight gained during this development will be applied to control law development for the physical IAWTM wind-tunnel test.

Josiah M Waite↗

Multilayered Cu-Carbon Nanotube Composites for Advanced Conductors

Improving the efficiency of electrical components is critical in reducing energy consumption for various industrial and residential applications, ranging from rotating machinery to all electric devices and electric vehicle (EV) components to power grid systems. Substituting Cu wires with reduced resistance conductors that incorporate carbon nanotubes (CNTs) into Cu─ultraconductive Cu (UCC) composites─has recently been considered a promising strategy to improve energy efficiency, power density, and/or performance across various applications. Here, in this study, we created stable material formulations [CNT-containing polyvinylpyrrolidone (PVP) in dimethylformamide (DMF) solution] and utilized commercially viable fabrication approaches (electrospinning and magnetron sputtering) that produced high-performance multilayered tape-based UCC composite architectures. Increasing the CNT volume fraction by sequential layering of the structure with additional Cu-CNT layers showed a nearly stepwise improved performance in electrical and mechanical properties. This study also provides valuable insight into the effectiveness of nitrogen doping in modifying the conductivity of the CNT matrix. Fabricated prototypes demonstrated a >10% increase in current carrying capacity and >10% improvement in mechanical strength compared to those obtained on pure Cu. We believe that the properties demonstrated here, combined with the scalable manufacturing pathway of our approach, pave the way in designing future advanced conductors for diverse energy efficient and high-performance electrical systems and applications.

Carbon nanotubes↗

Design Considerations for Ceramic Matrix Composite Vanes for High Pressure Turbine Applications

Issues associated with replacing conventional metallic vanes with Ceramic Matrix Composite (CMC) vanes in the first stage of the High Pressure Turbine (HPT) are explored. CMC materials have higher temperature capability than conventional HPT vanes, and less vane cooling is required. The benefits of less vane coolant are less NOx production and improved vane efficiency. Comparisons between CMC and metal vanes are made at current rotor inlet temperatures and at an vane inlet pressure of 50 atm.. CMC materials have directionally dependent strength characteristics, and vane designs must accommodate these characteristics. The benefits of reduced NOx and improved cycle efficiency obtainable from using CMC vanes. are quantified Results are given for vane shapes made of a two dimensional CMC weave. Stress components due to thermal and pressure loads are shown for all configurations. The effects on stresses of: (1) a rib connecting vane pressure and suction surfaces; (2) variation in wall thickness; and (3) trailing edge region cooling options are discussed. The approach used to obtain vane temperature distributions is discussed. Film cooling and trailing edge ejection were required to avoid excessive vane material temperature gradients. Stresses due to temperature gradients are sometimes compressive in regions where pressure loads result in high tensile stresses.

Boyle, Robert J.↗

Improved Fast Randomized Iteration Approach to Full Configuration Interaction

In this work, we present three modifications to our recently introduced fast randomized iteration method for full configuration interaction (FCI-FRI) and investigate their effects on the method’s performance for Ne, H 2 O, and N 2 . The initiator approximation, originally developed for full configuration interaction quantum Monte Carlo, significantly reduces statistical error in FCI-FRI when few samples are used in compression operations, enabling its application to larger chemical systems. The semistochastic extension, which involves exactly preserving a fixed subset of elements in each compression, improves statistical efficiency in some cases but reduces it in others. We also developed a new approach to sampling excitations that yields consistent improvements in statistical efficiency and reductions in computational cost. We discuss possible strategies based on our findings for improving the performance of stochastic quantum chemistry methods more generally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Future Cost Benefits Analysis for Electrified Vehicles from Advances Due to U.S. Department of Energy Targets

The U.S. Department of Energy’s Vehicle Technologies Office (DOE-VTO) supports research and development (R&D), as well as deployment of efficient and sustainable transportation technologies, that will improve energy efficiency and fuel economy and enable America to use less petroleum. To accelerate the creation and adoption of new technologies, DOE-VTO has developed specific targets for a wide range of powertrain technologies (e.g., engine, battery, electric machine, lightweighting, etc.). This paper quantifies the impact of VTO R&D on vehicle energy consumption and cost compared to expected historical improvements across vehicle classes, powertrains, component technologies and timeframes. We have implemented a large scale simulation process to develop and simulate tens of thousands of vehicles on U.S. standard driving cycles using Autonomie, a vehicle simulation tool developed by Argonne National Laboratory. Results demonstrate significant additional reductions in both cost and energy consumption due to the existence of VTO R&D targets compared to predicted historical trends. It is observed that, over time, the fuel consumption of different electrified vehicles is expected to decrease by 40–50% and a reduction of 45–55% for vehicle manufacturing costs owing to significant improvements through various VTO R&D targets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗