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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8

Simultaneous Increase in Open-Circuit Voltage and Efficiency of Fullerene-Free Solar Cells through Chlorinated Thieno[3,4- b ]thiophene Polymer Donor

The chlorinated polymer, PBTCl, has been found to be an efficient donor in nonfullerene polymer solar cells (PSCs), which showed a blue-shifted absorbance compared to that of its fluorine analogue (PTB7-th) and resulted in more complementary light absorption with a nonfullerene acceptor, such as ITIC. Meanwhile, chlorine substitution lowered the HOMO level of PBTCl, which increased the open-circuit voltage of the corresponding polymer-based devices. The 2D GIWAXS analysis illustrated that the PBTCl/ITIC blend film exhibited a “face-on” orientation and scattering features of both PBTCl and ITIC, suggesting that the blend of PBTCl and ITIC was phase-separated and formed individual crystalline domains of the donor and acceptor, which promoted charge transfer in the bicontinuous film and eventually elevated the solar energy conversion efficiency. The PBTCl-based nonfullerene PSC exhibited a maximum PCE of 7.57% with a Voc of 0.91 V, which was an approximately 13% increasing in the PCE compared to that of the fluorine-analogue-based device.

36 MATERIALS SCIENCE↗

Understanding the role of selenium in defect passivation for highly efficient selenium-alloyed cadmium telluride solar cells

Electricity produced by cadmium telluride (CdTe) photovoltaic modules is the lowest-cost electricity in the solar industry, and now undercuts fossil fuel-based sources in many regions of the world. This is due to recent efficiency gains brought about by alloying selenium into the CdTe absorber, which has taken cell efficiency from 19.5% to its current record of 22.1%. Although the addition of selenium is known to reduce the bandgap of the absorber material, and hence increase the cell short-circuit current, this effect alone does not explain the performance improvement. Here, by means of cathodoluminescence and secondary ion mass spectrometry, we show that selenium enables higher luminescence efficiency and longer diffusion lengths in the alloyed material, indicating that selenium passivates critical defects in the bulk of the absorber layer. Here, this passivation effect explains the record-breaking performance of selenium-alloyed CdTe devices, and provides a route for further efficiency improvement that can result in even lower costs for solar-generated electricity.

14 SOLAR ENERGY↗

Efficient electrocatalytic valorization of chlorinated organic water pollutant to ethylene

Electrochemistry can provide an efficient and sustainable way to treat environmental waters polluted by chlorinated organic compounds. However, the electrochemical valorization of 1,2-dichloroethane (DCA) is currently challenged by the lack of a catalyst that can selectively convert DCA in aqueous solutions into ethylene. Here, in this work, we report a catalyst comprising cobalt phthalocyanine molecules assembled on multiwalled carbon nanotubes that can electrochemically decompose aqueous DCA with high current and energy efficiencies. Ethylene is produced at high rates with unprecedented ~100% Faradaic efficiency across wide electrode potential and reactant concentration ranges. Kinetic studies and density functional theory calculations reveal that the rate-determining step is the first C–Cl bond breaking, which does not involve protons—a key mechanistic feature that enables cobalt phthalocyanine/carbon nanotube to efficiently catalyse DCA dechlorination and suppress the hydrogen evolution reaction. The nanotubular structure of the catalyst enables us to shape it into a flow-through electrified membrane, which we have used to demonstrate >95% DCA removal from simulated water samples with environmentally relevant DCA and electrolyte concentrations.

Choi, Chungseok↗

Growth temperature dependence of Si doping efficiency and compensating deep level defect incorporation in Al{sub 0.7}Ga{sub 0.3}N

The growth temperature dependence of Si doping efficiency and deep level defect formation was investigated for n-type Al{sub 0.7}Ga{sub 0.3}N. It was observed that dopant compensation was greatly reduced with reduced growth temperature. Deep level optical spectroscopy and lighted capacitance-voltage were used to understand the role of acceptor-like deep level defects on doping efficiency. Deep level defects were observed at 2.34 eV, 3.56 eV, and 4.74 eV below the conduction band minimum. The latter two deep levels were identified as the major compensators because the reduction in their concentrations at reduced growth temperature correlated closely with the concomitant increase in free electron concentration. Possible mechanisms for the strong growth temperature dependence of deep level formation are considered, including thermodynamically driven compensating defect formation that can arise for a semiconductor with very large band gap energy, such as Al{sub 0.7}Ga{sub 0.3}N.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Deletion of biofilm synthesis in Eubacterium limosum ATCC 8486 improves handling and transformation efficiency

Abstract Eubacterium limosum is an acetogenic bacterium of potential industrial relevance for its ability to efficiently metabolize a range of single carbon compounds. However, extracellular polymeric substance (EPS) produced by the type strain ATCC 8486 is a serious impediment to bioprocessing and genetic engineering. To remove these barriers, here we bioinformatically identified genes involved in EPS biosynthesis, and targeted several of the most promising candidates for inactivation, using a homologous recombination-based approach. Deletion of a single genomic region encoding homologues for epsABC, ptkA, and tmkA resulted in a strain incapable of producing EPS. This strain is significantly easier to handle by pipetting and centrifugation, and retains important wild-type phenotypes including the ability to grow on methanol and carbon dioxide and limited oxygen tolerance. Additionally, this strain is also more genetically tractable with a 2-fold increase in transformation efficiency compared to the highest previous reports. This work advances a simple, rapid protocol for gene knockouts in E. limosum using only the native homologous recombination machinery. These results will hasten the development of this organism as a workhorse for valorization of single carbon substrates, as well as facilitate exploration of its role in the human gut microbiota.

Sanford, Patrick A.↗

An efficient algorithm for simulating ensembles of parameterized flow problems

Abstract Many applications of computational fluid dynamics require multiple simulations of a flow under different input conditions. In this paper, a numerical algorithm is developed to efficiently determine a set of such simulations in which the individually independent members of the set are subject to different viscosity coefficients, initial conditions and/or body forces. The proposed scheme, when applied to the flow ensemble, needs to solve a single linear system with multiple right-hand sides, and thus is computationally more efficient than solving for all the simulations separately. We show that the scheme is nonlinearly and long-term stable under certain conditions on the time-step size and a parameter deviation ratio. A rigorous numerical error estimate shows the scheme is of first-order accuracy in time and optimally accurate in space. Several numerical experiments are presented to illustrate the theoretical results.

Mathematics↗

Optimizing Traffic Signal Control to Enhance Transportation Efficiency and Maximize Pedestrian Benefits in the Road Network

Increasing urban mobility requirements demand efficient transportation system strategies for both vehicular and pedestrian movement. This study enhances the Decentralized Graph-based Multi-Agent Reinforcement Learning (DGMARL) approach, originally tailored for vehicular traffic signal timing, to incorporate pedestrian traffic dynamics. The improved algorithm considers crucial metrics such as Eco_PI, assesses vehicle fuel consumption by factoring in stops and delays, and addresses pedestrian waiting time, crucial for system efficiency while acknowledging driver waiting time impact. Utilizing Digital Twin simulation along the MLK Smart Corridor in Chattanooga, Tennessee, the algorithm's performance is compared for various pedestrian control scenarios. To evaluate the effectiveness of DGMARL, this study compared DGMARL-enabled signal management with automated pedestrian traffic detection and an actuated signal management system (real-word baseline) with pedestrian recall, which predetermingly enforces a pedestrian phase every cycle. Findings indicate substantial improvements with DGMARL, showing a 28.29% enhancement in vehicle Eco_PI, a 60.55 % reduction in pedestrian waiting time, and a 55.74% decrease in driver stop delay, on average, compared to the baseline actuated signal timing plan.

Kumarasamy, Vijayalakshmi K [The University of Ten↗

Wild Band Edges: The Role of Bandgap Grading and Band-Edge Fluctuations in High-Efficiency Chalcogenide Devices

Band-edge effects - including grading, electrostatic fluctuations, bandgap fluctuations, and band tails - affect chalcogenide device efficiency. These effects now require more careful consideration as efficiencies increase beyond 20%. Several aspects of the relationships between band-edge phenomena and device performance for NREL absorbers are examined. For Cu(In, Ga)Se2 devices, recent increases in diffusion length imply changes to the optimum bandgap profile. The origin, impact, and modification of electrostatic and bandgap fluctuations are also discussed. The application of the same principles to devices based on CdTe, kesterites, and emerging absorbers (Cu2SnS3, CuSbS2), considering differences in materials properties, is examined.

14 SOLAR ENERGY↗

Optical Characterization of Defects in High-Efficiency (Ag,Cu)(In,Ga)Se2

We applied time-resolved photoluminescence (TRPL) spectroscopy to study optimized chalcopyrite (Ag,Cu)(In,Ga)Se2 thin films. The device shows power conversion efficiency of 18.7%. The metastable defect VSe-VCu within ACIGS at EV+0.98 eV is detected in sub-bandgap TRPL excitation spectra. TRPL lifetime of 50 ns is limited by the density of mid-gap defects such as CuGa or CuIn. The similarity of TRPL dynamics before and after light soaking indicates the optimized ACIGS thin film is less metastable because the density of VCu-VSe defect is reduced to below 10^15 cm^-3. This study indicates that ACIGS has improved cell efficiency and reliability characteristics.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Seasonal responses of terrestrial ecosystem water‐use efficiency to climate change

Abstract Ecosystem water‐use efficiency ( EWUE ) is an indicator of carbon–water interactions and is defined as the ratio of carbon assimilation ( GPP ) to evapotranspiration ( ET ). Previous research suggests an increasing long‐term trend in annual EWUE over many regions and is largely attributed to the physiological effects of rising CO 2 . The seasonal trends in EWUE , however, have not yet been analyzed. In this study, we investigate seasonal EWUE trends and responses to various drivers during 1982–2008. The seasonal cycle for two variants of EWUE , water‐use efficiency ( WUE , GPP / ET ), and transpiration‐based WUE ( WUE t , the ratio of GPP and transpiration), is analyzed from 0.5° gridded fields from four process‐based models and satellite‐based products, as well as a network of 63 local flux tower observations. WUE derived from flux tower observations shows moderate seasonal variation for most latitude bands, which is in agreement with satellite‐based products. In contrast, the seasonal EWUE trends are not well captured by the same satellite‐based products. Trend analysis, based on process‐model factorial simulations separating effects of climate, CO 2 , and nitrogen deposition ( NDEP ), further suggests that the seasonal EWUE trends are mainly associated with seasonal trends of climate, whereas CO 2 and NDEP do not show obvious seasonal difference in EWUE trends. About 66% grid cells show positive annual WUE trends, mainly over mid‐ and high northern latitudes. In these regions, spring climate change has amplified the effect of CO 2 in increasing WUE by more than 0.005 gC m −2 mm −1 yr −1 for 41% pixels. Multiple regression analysis further shows that the increase in springtime WUE in the northern hemisphere is the result of GPP increasing faster than ET because of the higher temperature sensitivity of GPP relative to ET . The partitioning of annual EWUE to seasonal components provides new insight into the relative sensitivities of GPP and ET to climate, CO 2, and NDEP .

Huang, Mengtian↗

A study of IMRT planning parameters on planning efficiency, delivery efficiency, and plan quality

Purpose: To improve planning and delivery efficiency of head and neck IMRT without compromising planning quality through the evaluation of inverse planning parameters.Methods: Eleven head and neck patients with pre-existing IMRT treatment plans were selected for this retrospective study. The Pinnacle treatment planning system (TPS) was used to compute new treatment plans for each patient by varying the individual or the combined parameters of dose/fluence grid resolution, minimum MU per segment, and minimum segment area. Forty-five plans per patient were generated with the following variations: 4 dose/fluence grid resolution plans, 12 minimum segment area plans, 9 minimum MU plans, and 20 combined minimum segment area/minimum MU plans. Each plan was evaluated and compared to others based on dose volume histograms (DVHs) (i.e., plan quality), planning time, and delivery time. To evaluate delivery efficiency, a model was developed that estimated the delivery time of a treatment plan, and validated through measurements on an Elekta Synergy linear accelerator. Results: The uncertainty (i.e., variation) of the dose-volume index due to dose calculation grid variation was as high as 8.2% (5.5 Gy in absolute dose) for planning target volumes (PTVs) and 13.3% (2.1 Gy in absolute dose) for planning at risk volumes (PRVs). Comparison results of dose distributions indicated that smaller volumes were more susceptible to uncertainties. The grid resolution of a 4 mm dose grid with a 2 mm fluence grid was recommended, since it can reduce the final dose calculation time by 63% compared to the accepted standard (2 mm dose grid with a 2 mm fluence grid resolution) while maintaining a similar level of dose-volume index variation. Threshold values that maintained adequate plan quality (DVH results of the PTVs and PRVs remained satisfied for their dose objectives) were 5 cm{sup 2} for minimum segment area and 5 MU for minimum MU. As the minimum MU parameter was increased, the number of segments and delivery time were decreased. Increasing the minimum segment area parameter decreased the plan MU, but had less of an effect on the number of segments and delivery time. Our delivery time model predicted delivery time to within 1.8%. Conclusions: Increasing the dose grid while maintaining a small fluence grid allows for improved planning efficiency without compromising plan quality. Delivery efficiency can be improved by increasing the minimum MU, but not the minimum segment area. However, increasing the respective minimum MU and/or the minimum segment area to any value greater than 5 MU and 5 cm{sup 2} is not recommended because it degrades plan quality.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

An efficient polyenergetic SART (pSART) reconstruction algorithm for quantitative myocardial CT perfusion

Purpose: In quantitative myocardial CT perfusion imaging, beam hardening effect due to dense bone and high concentration iodinated contrast agent can result in visible artifacts and inaccurate CT numbers. In this paper, an efficient polyenergetic Simultaneous Algebraic Reconstruction Technique (pSART) was presented to eliminate the beam hardening artifacts and to improve the CT quantitative imaging ability. Methods: Our algorithm made threea priori assumptions: (1) the human body is composed of several base materials (e.g., fat, breast, soft tissue, bone, and iodine); (2) images can be coarsely segmented to two types of regions, i.e., nonbone regions and noniodine regions; and (3) each voxel can be decomposed into a mixture of two most suitable base materials according to its attenuation value and its corresponding region type information. Based on the above assumptions, energy-independent accumulated effective lengths of all base materials can be fast computed in the forward ray-tracing process and be used repeatedly to obtain accurate polyenergetic projections, with which a SART-based equation can correctly update each voxel in the backward projecting process to iteratively reconstruct artifact-free images. This approach effectively reduces the influence of polyenergetic x-ray sources and it further enables monoenergetic images to be reconstructed at any arbitrarily preselected target energies. A series of simulation tests were performed on a size-variable cylindrical phantom and a realistic anthropomorphic thorax phantom. In addition, a phantom experiment was also performed on a clinical CT scanner to further quantitatively validate the proposed algorithm. Results: The simulations with the cylindrical phantom and the anthropomorphic thorax phantom showed that the proposed algorithm completely eliminated beam hardening artifacts and enabled quantitative imaging across different materials, phantom sizes, and spectra, as the absolute relative errors were reduced from [−7.5%, 12.1%] for SART to [−0.1%, 0.1%] for pSART. When using low kVp spectra and high reference energies, pSART also showed improved reconstruction efficiency in terms of convergence speed compared to the conventional SART algorithm. The phantom experiment on a clinical CT scanner indicated that the quantitative advantage of pSART is realizable in experimental CT acquisition, as the absolute relative errors across material inserts were less than 0.4%. Conclusions: By incorporatinga priori information (material attenuation coefficients, x-ray source spectrum, and region type information) into the reconstruction process, the proposed pSART algorithm could effectively eliminate beam hardening artifacts, reconstruct the accurate attenuation coefficients for precise quantitative imaging, and accelerate the reconstruction process.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Computationally aided, entropy-driven synthesis of highly efficient and durable multi-elemental alloy catalysts

Multi-elemental alloy nanoparticles (MEA-NPs) hold great promise for catalyst discovery in a virtually unlimited compositional space. However, rational and controllable synthesize of these intrinsically complex structures remains a challenge. Here, we report the computationally aided, entropy-driven design and synthesis of highly efficient and durable catalyst MEA-NPs. The computational strategy includes prescreening of millions of compositions, prediction of alloy formation by density functional theory calculations, and examination of structural stability by a hybrid Monte Carlo and molecular dynamics method. Selected compositions can be efficiently and rapidly synthesized at high temperature (e.g., 1500 K, 0.5 s) with excellent thermal stability. We applied these MEA-NPs for catalytic NH 3 decomposition and observed outstanding performance due to the synergistic effect of multi-elemental mixing, their small size, and the alloy phase. We anticipate that the computationally aided rational design and rapid synthesis of MEA-NPs are broadly applicable for various catalytic reactions and will accelerate material discovery.

36 MATERIALS SCIENCE↗

Measurement of the photon identification efficiencies with the ATLAS detector using LHC Run-1 data

The algorithms used by the ATLAS Collaboration to reconstruct and identify prompt photons are described. Measurements of the photon identification efficiencies are reported, using 4.9 fb –1 of pp collision data collected at the LHC at √s = 7 TeV and 20.3 fb –1 at √s = 8 TeV. The efficiencies are measured separately for converted and unconverted photons, in four different pseudorapidity regions, for transverse momenta between 10 GeV and 1.5 TeV. The results from the combination of three data-driven techniques are compared to the predictions from a simulation of the detector response, after correcting the electromagnetic shower momenta in the simulation for the average differences observed with respect to data. Data-to-simulation efficiency ratios used as correction factors in physics measurements are determined to account for the small residual efficiency differences. These factors are measured with uncertainties between 0.5% and 10% in 7 TeV data and between 0.5% and 5.6% in 8 TeV data, depending on the photon transverse momentum and pseudorapidity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cavity electro-optics in thin-film lithium niobate for efficient microwave-to-optical transduction

Linking superconducting quantum devices to optical fibers via microwave-optical quantum transducers may enable large-scale quantum networks. For this application, transducers based on the Pockels electro-optic (EO) effect are promising for their direct conversion mechanism, high bandwidth, and potential for low-noise operation. However, previously demonstrated EO transducers require large optical pump power to overcome weak EO coupling and reach high efficiency. Here, we create an EO transducer in thin-film lithium niobate, a platform that provides low optical loss and strong EO coupling. We demonstrate on-chip transduction efficiencies of up to and of optical pump power. The transduction efficiency can be improved by further reducing the microwave resonator’s piezoelectric coupling to acoustic modes, increasing the optical resonator quality factor to previously demonstrated levels, and changing the electrode geometry for enhanced EO coupling. We expect that with further development, EO transducers in thin-film lithium niobate can achieve near-unity efficiency with low optical pump power.

Holzgrafe, Jeffrey (ORCID:0000000160121451)↗

Online multi-objective Bayesian optimization of injection efficiency and beam lifetime with skew quadrupoles at NSLS-II

At NSLS-II, the vertical emittance of electron beam is typically blown up to ~30 pm with a coupling wave to increase beam lifetime during user operation. As more and more insertion devices are added to the storage ring, injection efficiency to the ring drops noticeably in certain machine states, apparently due to degraded dynamic apertures. To help alleviate this issue, we have recently performed online multi-objective Bayesian optimization to increase injection efficiency while maintaining beam lifetime, by adjusting the strengths of 15 skew quadrupoles in non-dispersive sections. We report the results of this optimization effort.

Hidaka, Yoshiteru [Brookhaven]↗