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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A Printing-Centric Approach to the Electrostatic Modification of Polymer/Clay Composites for Use in 3D Direct-Ink Writing

Polymer/clay composite inks are exceptionally useful materials for fabrication processes based on 3D direct-ink writing, however, there remains an insufficient understanding of how their physiochemical dynamics impact printability. Using a model system, N-isopropylacrylamide/Laponite, the electrostatic interactions between Laponite platelets are modified to tune critical rheological properties in order to improve printability. Rheological measurements and X-ray scattering experiments are carried out to monitor the nano/micro-structural dynamics and complex physicochemical interactions of Laponite as it impacts complex modulus in the linear region, flow behavior, thixotropy, and yield stress of the composite ink. Modification of the electrostatic interactions between platelets reduces the yield stress of the material, while maintaining a complex microstructure that allows for sufficient recovery times upon removal of stress to form stable, and thus printable, filaments. A printing-centric approach is established based on a fundamental understanding of electrostatic inter-particle interactions, harnessing the innate microstructure of Laponite in 3D direct-ink writing of composites.

Rauzan, Brittany M.↗
DOE OSTI2019

Highly Efficient Solar-Driven Carbon Dioxide Reduction on Molybdenum Disulfide Catalyst Using Choline Chloride-Based Electrolyte

Conversion of CO2 to energy-rich chemicals using renewable energy is of much interest to close the anthropogenic carbon cycle. However, the current photoelectrochemical systems are still far from being practically feasible. Here the successful demonstration of a continuous, energy efficient, and scalable solar-driven CO2 reduction process based on earth-abundant molybdenum disulfide (MoS2) catalyst, which works in synergy with an inexpensive hybrid electrolyte of choline chloride (a common food additive for livestock) and potassium hydroxide (KOH) is reported. The CO(2 )saturated hybrid electrolyte utilized in this study also acts as a buffer solution (pH approximate to 7.6) to adjust pH during the reactions. This study reveals that this system can efficiently convert CO(2 )to CO with solar-to-fuel and catalytic conversion efficiencies of 23% and 83%, respectively. Using density functional theory calculations, a new reaction mechanism in which the water molecules near the MoS(2 )cathode act as proton donors to facilitate the CO2 reduction process by MoS2 catalyst is proposed. This demonstration of a continuous, cost-effective, and energy efficient solar driven CO2 conversion process is a key step toward the industrialization of this technology.

flow cells↗
DOE OSTI2018

Process Intensification of Distillation using a Microwick Technology to Demonstrate Separation of Propane and Propylene

Process intensification (PI) of distillation using a microchannel distillation (MCD) device successfully reduced the height of a theoretical plate (HETP) in separating propane and propylene to 1 cm, representing 10 theoretical stages. Mass transfer is enhanced by using thin wicking structures that are 0.17 mm thick in counter-flow with vapor. Liquid is segregated in the wicks by applying a siphon, which also enables the device to operate horizontally. A scalable device containing 11 wicks was operated cryogenically in total reflux. The HETP varied between 1.0 and 3.7 cm, representing a dramatic reduction over commercial structured packings and comparable to other PI approaches. Significant improvements are expected with further development. Potential application for intensified distillation processes include distributed manufacturing and difficult separations involving close boiling compounds and meeting high purity specifications. The ultimate application is isotopic enrichment, where the number of stages required is typically multiple thousands.

Distillation, Process Intensification, Microchanne↗
DOE OSTI2021

Early Battery Performance Prediction for Mixed Use Charging Profiles Using Hierarchal Machine Learning

A key step limiting how fast batteries can be deployed is the time necessary to provide evaluation and validation of performance. Using data analysis approaches, such as machine learning, the validation process can be accelerated. However, questions on the validity of projecting models trained on limited data or simple cycling profiles, such as constant current cycling, to real-world scenarios with complex loads remains. Here, we present the ability to predict performance with less than 1.2% mean absolute percent error when trained on cells aged using complex electric vehicle discharge profiles, and either AC Level 2 charge or DC Fast charge profiles, using only the first 45 cycles, namely 5% of the total testing time. While error is low across the projections, this study also highlights that battery lifetime analysis using only cycling data may not extrapolate safely to certain real-world conditions due to the impact of calendar degradation.

25 ENERGY STORAGE↗
DOE OSTI2018

Enhanced Stability of Lithium Metal Anode by using a 3D Porous Nickel Substrate

Lithium (Li) metal is considered the “holy grail” anode for high energy density batteries, but its applications in rechargeable Li metal batteries are still hindered by the formation of Li dendrites and low Coulombic efficiency for Li plating/stripping. An effective strategy to stabilize Li metal is by embedding Li metal anode in a three-dimensional (3D) current collector. Here, a highly porous 3D Ni substrate is reported to effectively stabilize Li metal anode. Using galvanostatic intermittent titration technique combined with scanning electron microscopy, the underlying mechanism on the improved stability of Li metal anode is revealed. It is clearly demonstrated that the use of porous 3D Ni substrate can effectively suppress the formation of “dead” Li and forms a dense surface layer, whereas a porous “dead” Li layer is accumulated on the 2D Li metal which eventually leads to mass transport limitations. X-ray photoelectron spectroscopy results further revealed the compositional differences in the solid-electrolyte interphase layer formed on the Li metal embedded in porous 3D Ni substrate and the 2D copper substrate.

Yu, Lu↗
DOE OSTI2018

Obtaining a Low and Wide Atomic Layer Deposition Window (150-275 °C) for In 2 O 3 Films Using an In III Amidinate and H 2 O

Indium oxide is a major component of many technologically important thin films, most notably the transparent conductor indium tin oxide (ITO). Despite being pyrophoric, homoleptic indium(III) alkyls do not allow atomic layer deposition (ALD) of In 2 O 3 using water as a co-precursor at substrate temperatures below 200 °C. Several alternative indium sources have been developed, but none allows ALD at lower temperatures except in the presence of oxidants such as O 2 or O 3 , which are not compatible with some substrates or alloying processes. We have synthesized a new indium precursor, tris( N , N' -diisopropylformamidinato)indium(III), compound 1 , which allows ALD of pure, carbon-free In 2 O 3 films using H 2 O as the only co-reactant, on substrates in the temperature range 150–275 °C. In contrast, replacing just the H of the anionic i PrNC(H)N i Pr ligand with a methyl group (affording the known tris( N , N' -diisopropylacetamidinato)indium(III), compound 2 ) results in a considerably higher and narrower ALD window in the analogous reaction with H 2 O (225–300 °C). Kinetic studies demonstrate that a higher rate of surface reactions in both parts of the ALD cycle gives rise to this difference in the ALD windows.

charge transport↗
DOE OSTI2016

Investigation of boundary-layer wind predictions during nocturnal low-level jet events using the Weather Research and Forecasting model

Simulations of two periods featuring three consecutive low level jet (LLJ) events in the US Upper Great Plains during the autumn of 2011 were conducted to explore the impacts of various setup configurations and physical process models on simulated flow parameters within the lowest 200 m above the surface, using the Weather Research and Forecasting (WRF) model. Sensitivities of simulated flow parameters to the horizontal and vertical grid spacing, planetary boundary layer (PBL) and land surface model (LSM) physics options, were assessed. Data from a Light Detection and Ranging (lidar) system, deployed to the Weather Forecast Improvement Project (WFIP; Finley et al. 2013) were used to evaluate the accuracy of simulated wind speed and direction at 80 m above the surface, as well as their vertical distributions between 120 and 40 m, covering the typical span of contemporary tall wind turbines. All of the simulations qualitatively captured the overall diurnal cycle of wind speed and stratification, producing LLJs during each overnight period, however large discrepancies occurred at certain times for each simulation in relation to the observations. 54-member ensembles encompassing changes of the above discussed configuration parameters displayed a wide range of simulated vertical distributions of wind speed and direction, and potential temperature, reflecting highly variable representations of stratification during the weakly stable overnight conditions. Root mean square error (RMSE) statistics show that different ensemble members performed better and worse in various simulated parameters at different times, with no clearly superior configuration . Simulations using a PBL parameterization designed specifically for the stable conditions investigated herein provided superior overall simulations of wind speed at 80 m, demonstrating the efficacy of targeting improvements of physical process models in areas of known deficiencies. However, the considerable magnitudes of the RMSE values of even the best performing simulations indicate ample opportunities for further improvements.

Mirocha, Jeff D.↗
DOE OSTI2015

A search for \( t\overline{t} \) resonances using lepton-plus-jets events in proton-proton collisions at \( \sqrt{s}=8 \) TeV with the ATLAS detector

A search for new particles that decay into top quark pairs is reported. The search is performed with the ATLAS experiment at the LHC using an integrated luminosity of 20.3 fb -1 of proton-proton collision data collected at a centre-of-mass energy of \( \sqrt{s}=8 \) TeV. The lepton-plus-jets final state is used, where the top pair decays to \( {W}^{+}b{W}^{-}\overline{b} \), with one W boson decaying leptonically and the other hadronically. The invariant mass spectrum of top quark pairs is examined for local excesses or deficits that are inconsistent with the Standard Model predictions. No evidence for a top quark pair resonance is found, and 95% confidence-level limits on the production rate are determined for massive states in benchmark models. The upper limits on the cross-section times branching ratio of a narrow Z' boson decaying to top pairs range from 4.2 pb to 0.03 pb for resonance masses from 0.4 TeV to 3.0 TeV. A narrow leptophobic topcolour Z' boson with mass below 1.8 TeV is excluded. Upper limits are set on the cross-section times branching ratio for a broad colour-octet resonance with Γ/m = 15% decaying to \( t\overline{t} \). These range from 4.8 pb to 0.03 pb for masses from 0.4 TeV to 3.0 TeV. A Kaluza-Klein excitation of the gluon in a Randall-Sundrum model is excluded for masses below 2.2 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Erratum to: Measurement of the inclusive jet cross-section in proton-proton collisions at $ \sqrt{s}=7 $ TeV using 4.5 fb -1 of data with the ATLAS detector

It was found that the non-perturbative corrections calculated using Pythia with the Perugia 2011 tune did not include the effect of the underlying event. The affected correction factors were recomputed using the Pythia 6.427 generator. These corrections are applied as baseline to the NLO pQCD calculations and thus the central values of the theoretical predictions have changed by a few percent with the new corrections. This has a minor impact on the agreement between the data and the theoretical predictions. Figures 2 and 6 to 13, and all the tables have been updated with the new values. A few sentences in the discussion in sections 5.2 and 9 were altered or removed.[Figure not available: see fulltext.]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Attributing runoff changes to climate variability and human activities: Uncertainty analysis using four monthly water balance models

Hydrological simulations to delineate the impacts of climate variability and human activities are subjected to uncertainties related to both parameter and structure of the hydrological models. To analyze the impact of these uncertainties on the model performance and to yield more reliable simulation results, a global calibration and multimodel combination method that integrates the Shuffled Complex Evolution Metropolis (SCEM) and Bayesian Model Averaging (BMA) of four monthly water balance models was proposed. The method was applied to the Weihe River Basin (WRB), the largest tributary of the Yellow River, to determine the contribution of climate variability and human activities to runoff changes. The change point, which was used to determine the baseline period (1956-1990) and human-impacted period (1991-2009), was derived using both cumulative curve and Pettitt’s test. Results show that the combination method from SCEM provides more skillful deterministic predictions than the best calibrated individual model, resulting in the smallest uncertainty interval of runoff changes attributed to climate variability and human activities. This combination methodology provides a practical and flexible tool for attribution of runoff changes to climate variability and human activities by hydrological models.

runoff change, uncertainty assessment, monthly wat↗
DOE OSTI2021

The influence of tillage and fertilizer on the flux and source of nitrous oxide with reference to atmospheric variation using laser spectroscopy

Nitrous oxide (N 2 O) is the third most important long-lived greenhouse gas and agriculture is the largest source of N 2 O emissions. Curbing N 2 O emissions requires understanding influences on the flux and sources of N 2 O. We measured flux and evaluated microbial sources of N 2 O using site preference ( S P ; the intramolecular distribution of 15 N in N 2 O) in flux chambers from a grassland tilling and agricultural fertilization experiments and atmosphere. We identified values greater than that of the average atmosphere to reflect nitrification and/or fungal denitrification and those lower than atmosphere as increased denitrification. Our spectroscopic approach was based on an extensive calibration with 18 standards that yielded S P accuracy and reproducibility of 0.7 ‰ and 1.0 ‰, respectively, without preconcentration. Chamber samples from the tilling experiment taken ~ monthly over a year showed a wide range in N 2 O flux (0–1.9 g N 2 O-N ha -1 d -1 ) and S P (- 1.8 to 25.1 ‰). Flux and S P were not influenced by tilling but responded to sampling date. Large fluxes occurred in October and May in no-till when soils were warm and moist and during a spring thaw, an event likely representing release of N 2 O accumulated under snow cover. These high fluxes could not be ascribed to a single microbial process as S P differed among chambers. However, the year-long S P and flux data for no-till showed a slight direct relationship suggesting that nitrification increased with flux. The comparative data in till showed an inverse relationship indicating that high flux events are driven by denitrification. Corn ( Zea mays ) showed high fluxes and S P values indicative of nitrification ~ 4 wk after fertilization with subsequent declines in S P indicating denitrification. Although there was no effect of fertilizer treatment on flux or S P in switchgrass ( Panicum virgatum) , high fluxes occurred ~1 month after fertilization. In both treatments, S P was indicative of denitrification in many instances, but evidence of nitrification/fungal denitrification also prevailed. At 2 m atmospheric N 2 O S P had a range of 31.1 ‰ and 14.6 ‰ in the grassland tilling and agricultural fertilization experiments, respectively. These data suggest the influence of soil microbial processes on atmospheric N 2 O and argue against the use of the global average atmospheric S P in isotopic modeling approaches.

Environmental Sciences & Ecology↗
DOE OSTI2014

Land-use transition for bioenergy and climate stabilization: model comparison of drivers, impacts and interactions with other land use based mitigation options

This study is a model comparison assessing the drivers and impacts of bioenergy production on the global land system and the interaction with other land use based mitigation options in the context of the EMF 27 project. We compare and evaluate results from three integrated assessment models (GCAM, IMAGE, and ReMIND/MAgPIE). All three models project that dedicated bioenergy crops and biomass residues are a potentially important and cost-effective component of the energy system. But bioenergy deployment levels and feedstock composition vary notably across models as do the implications for land-use and greenhouse gas emissions and the interaction with other land use based mitigation measures. Despite numerous model differences, we identify a few that are likely contributing to differences in land-use and emissions attributable to energy crop deployment.

Popp, Alexander↗
DOE OSTI2022

Modeling the use of mobile modular gas samplers in near-field detection

The Wireless Independent Noble Gas Sampler (WINGS) is a mobile, modular gas sampling system designed for use in low infrastructure environments. In the case of a suspected underground nuclear explosion (UNE), WINGS units could be deployed to detect noble gases emanating from the suspected explosion site or identify gases originating from another source entering the local area from offsite. In conclusion, this work uses the atmospheric transport modeling tool inline WRF-HYSPLIT to test the effectiveness of WINGS units around a suspected UNE site as a function of sampler density and distance from the emission point of gases from a UNE.

Air sampling↗