Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “LEADING ABSTRACT”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Identification of biomass fractions responsible for wear on biomass processing equipment

Abstract: There is a current problem in the DOE supported Integrated Bio refineries where metal parts, including grinder blades and pneumatic ducting, are wearing out too early in the lifetime of the equipment. Repairing and replacing the equipment leads to unexpected equipment costs and the complete shutdown of the affected production lines.. It is believed that the ash content of the biomass is the likely cause of the wear on the metals. To address this ongoing problem, INL staff are analyzing the wear of metals caused by interactions with biomass . A sandblaster was modified to shoot ground biomass at metal coupons to simulate the wear that is occurring in the bio refineries. This system was able to test several variables including which biomass causes erosive and abrasive wear, impingement angle, particle densities of the biomass, and how the quantity of mass impacts the wear of the metals. Coupon mass loss after blasting was used to evaluate the wear caused by different biomass fractions. It was determined that the bark fraction of biomass caused the most wear and the whitewood fraction caused the least wear. Coupon mass loss in logging residues was found to be positively correlated with ash content, indicating that the ash content in the biomass is responsible for wear. It was also found that hand separated forest residues, sodium, aluminum and iron were positively correlated with wear, while silicon showed no correlation with wear.

09 BIOMASS FUELS↗
DOE OSTI2016

Superoxide (Electro)Chemistry on Well-Defined Surfaces in Organic Environments

Efficient chemical transformations in energy conversion and storage systems depend on understanding superoxide anion (O 2 – ) electrochemistry at atomic and molecular levels. Here, in this work, a combination of experimental and theoretical techniques are used for rationalizing, and ultimately understanding, the complexity of superoxide anion (electro)chemistry in organic environments. By exploring the O 2 + e – ↔ O 2 – reaction on well-characterized metal single crystals (Au, Pt, Ir), Pt single crystal modified with a single layer of graphene (Graphene@Pt(111)), and glassy carbon (GC) in 1,2 dimethoxyethane (DME) electrolytes, we demonstrate that (i) the reaction is an outer-sphere process; (ii) the reaction product O 2 – can “attack” any part of the DME molecule, i.e., the C–O bond via nucleophilic reaction and the C–H bond via radical hydrogen abstraction; (iii) the adsorption of carbon-based decomposition products and the extent of formation of a “solid electrolyte interface” (“SEI”) increases in the same order as the reactivity of the substrate, i.e., Pt(hkl)/Ir(hkl) » Au(hkl)/GC > Gaphene@Pt(111); and (iv) the formation of the “SEI” layer leads to irreversible superoxide electrochemistry on Pt(hkl) and Ir(hkl) surfaces. In conclusion, we believe this fundamental insight provides a pathway for the rational design of stable organic solvents that are urgently needed for the development of a new generation of reliable and affordable battery systems.

25 ENERGY STORAGE↗
DOE OSTI2017

One-step hydrothermal synthesis and electrochemical performance of sodium-manganese-iron phosphate as cathode material for Li-ion batteries

The sodium-manganese-iron phosphate Na{sub 2}Mn{sub 1.5}Fe{sub 1.5}(PO{sub 4}){sub 3} (NMFP) with alluaudite structure was obtained by a one-step hydrothermal synthesis route. The physical properties and structure of this material were obtained through XRD and Mössbauer analyses. X-ray diffraction Rietveld refinements confirm a cationic distribution of Na{sup +} and presence of vacancies in A(2)’, Na{sup +} and small amounts of Mn{sup 2+} in A(1), Mn{sup 2+} in M(1), 0.5 Mn{sup 2+} and Fe cations (Mn{sup 2+},Fe{sup 2+} and Fe{sup 3+}) in M(2), leading to the structural formula Na{sub 2}Mn(Mn{sub 0.5}Fe{sub 1.5})(PO{sub 4}){sub 3}. The particles morphology was investigated by SEM. Several reactions with different hydrothermal reaction times were attempted to design a suitable synthesis protocol of NMFP compound. The time of reaction was varied from 6 to 48 h at 220 °C. The pure phase of NMFP particles was firstly obtained when the hydrothermal reaction of NMFP precursors mixture was maintained at 220 °C for 6 h. When the reaction time was increased from 6 to 12, 24 and 48 h, the dandelion structure was destroyed in favor of NMFP micro-rods. The combination of NMFP (NMFP-6H, NMFP-12H, NMFP-24H and NMFP-48H) structure refinement and Mössbauer characterizations shows that the increase of the reaction time leads to the progressive increment of Fe(III) and the decrease of the crystal size. The electrochemical tests indicated that NMFP is a 3 V sodium intercalating cathode. The comparison of the discharge capacity evolution of studied NMFP electrode materials at C/5 current density shows different capacities of 48, 40, 34 and 34 mA h g{sup −1} for NMFP-6H, NMFP-12H, NMFP-24H and NMFP-48H respectively. Interestingly, all samples show excellent capacity retention of about 99% during 50 cycles. - Graphical abstract: SEM micrographs (left) and evolution of the discharge on cycling with increasing rates from C/15 to 4 C (right) of NMFP material prepared by hydrothermal synthesis at 220 °C at indicated time. Display Omitted - Highlights: • One-step hydrothermal method was used to prepare sodium manganese iron phosphate NMFP. • 3D-NMFP dandelion sphere-like particles were obtained at 220 °C after 6 h. • Increasing reaction time leads to the enhancement of the crystallinity and crystal stabilility of NMFP. • The growth of the particle size and change of morphology are correlated to the reaction time. • EC performance of NMFP powders were greatly affected by the synthesis conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Widespread gas hydrate instability on the upper U.S. Beaufort margin

Abstract The most climate‐sensitive methane hydrate deposits occur on upper continental slopes at depths close to the minimum pressure and maximum temperature for gas hydrate stability. At these water depths, small perturbations in intermediate ocean water temperatures can lead to gas hydrate dissociation. The Arctic Ocean has experienced more dramatic warming than lower latitudes, but observational data have not been used to study the interplay between upper slope gas hydrates and warming ocean waters. Here we use (a) legacy seismic data that constrain upper slope gas hydrate distributions on the U.S. Beaufort Sea margin, (b) Alaskan North Slope borehole data and offshore thermal gradients determined from gas hydrate stability zone thickness to infer regional heat flow, and (c) 1088 direct measurements to characterize multidecadal intermediate ocean warming in the U.S. Beaufort Sea. Combining these data with a three‐dimensional thermal model shows that the observed gas hydrate stability zone is too deep by 100 to 250 m. The disparity can be partially attributed to several processes, but the most important is the reequilibration (thinning) of gas hydrates in response to significant (~0.5°C at 2σ certainty) warming of intermediate ocean temperatures over 39 years in a depth range that brackets the upper slope extent of the gas hydrate stability zone. Even in the absence of additional ocean warming, 0.44 to 2.2 Gt of methane could be released from reequilibrating gas hydrates into the sediments underlying an area of ~5–7.5 × 10 3 km 2 on the U.S. Beaufort Sea upper slope during the next century.

Phrampus, Benjamin J.↗
DOE OSTI2024

Exceptional Alignment in a Donor–Acceptor Conjugated Polymer via a Previously Unobserved Liquid Crystal Mesophase

Abstract Orienting polymer semiconductors is desirable to optimize device characteristics, provide insight into microstructure, and magnify subtle phase behavior. Here, a combination of uniaxial strain and subsequent heating of the donor–acceptor (DA) polymer PBnDT‐FTAZ is discovered to lead to exceptional optical dichroic ratios of up to 38 (and close to 50 near the polymer's absorption edge). This alignment is achieved due to the existence of a previously undetected thermotropic liquid crystal (LC) mesophase. The LC transition, not discernable through calorimetry, is uncovered through a combination of in situ UV–vis spectroscopy, X‐ray scattering, and dynamic mechanical analysis (DMA). Comparing PBnDT‐FTAZ to the non‐fluorinated PBnDT‐HTAZ and the homo polymer PBnDT, all of which show similar thermal transitions, reveals that exceptional alignment is only found in PBnDT‐FTAZ. This is attributed to the PBnDT‐FTAZ film having two distinct liquid crystal populations, and the polymer templating to a highly aligned, high‐clearing temperature population when heated. The DMA thermal relaxation behavior observed here is also seen in other DA conjugated polymers suggesting that such thermotropic LC mesophases may be common in these materials. These findings demonstrate a polymer semiconductor with remarkable alignment and uncover phase behavior with broad implications for process‐structure‐property relationships in polymer semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of surface species and homogeneous reactions on rates and selectivity in ethane oxidation on oxide catalysts

Selective alkane oxidations on metal oxide catalysts involve complex mechanisms with multiple reactions in series and parallel, different types of reduced and oxidized surface species, and potential contributions from gas-phase reactions. We report kinetics and thermodynamics of elementary steps involved in C 2 H 6 -O 2 reactions on SiO 2 -supported small vanadium oxide domains are determined using density functional theory. These surface reactions together with gas-phase mechanisms are incorporated in kinetic simulations to determine how surface and gaseous reactions interact and contribute to rates and selectivity. The results show that gas-phase reactions within pore volumes in contact with the catalyst contribute significantly to C 2 H 6 activation rates, even at conditions where gas-phase reactions in empty volumes without catalyst are negligible. The majority of C 2 H 6 activations occur on the surface, via H abstraction by vanadium oxo species present at terminal lattice oxygens. The gas-phase activations via H-abstraction by OH radicals also exhibit significant contributions. The reduced centers formed by reactions at vanadium oxo species are re-oxidized rapidly and, therefore, are present in very small concentrations at reaction conditions. The re-oxidation steps lead to the formation of HO 2 radicals and surface peroxo species that are also rapidly consumed and are present in small concentrations. The peroxo species preferentially convert C 2 H 4 to its epoxide product and influence selectivity even at low concentrations. The gas-phase reactions decrease the concentrations of peroxo species and improve selectivity slightly. The effects of reaction conditions and catalyst site density provide further insights into how factors beyond conversions at lattice oxygens influence rates and selectivity in alkane oxidation reactions of significant industrial importance.

42 ENGINEERING↗
DOE OSTI2017

HACA's Heritage: A Free‐Radical Pathway to Phenanthrene in Circumstellar Envelopes of Asymptotic Giant Branch Stars

Abstract The hydrogen‐abstraction/acetylene‐addition (HACA) mechanism has been central for the last decades in attempting to rationalize the formation of polycyclic aromatic hydrocarbons (PAHs) as detected in carbonaceous meteorites such as in Murchison. Nevertheless, the basic reaction mechanisms leading to the formation of even the simplest tricyclic PAHs like anthracene and phenanthrene are still elusive. Here, by exploring the previously unknown chemistry of the ortho ‐biphenylyl radical with acetylene, we deliver compelling evidence on the efficient synthesis of phenanthrene in carbon‐rich circumstellar environments. However, the lack of formation of the anthracene isomer implies that HACA alone cannot be responsible for the formation of PAHs in extreme environments. Considering the overall picture, alternative pathways such as vinylacetylene‐mediated reactions are required to play a crucial role in the synthesis of complex PAHs in circumstellar envelopes of dying carbon‐rich stars.

Yang, Tao↗
DOE OSTI2018

Silicon‐Based Anodes for Lithium‐Ion Batteries: From Fundamentals to Practical Applications

Abstract Silicon has been intensively studied as an anode material for lithium‐ion batteries (LIB) because of its exceptionally high specific capacity. However, silicon‐based anode materials usually suffer from large volume change during the charge and discharge process, leading to subsequent pulverization of silicon, loss of electric contact, and continuous side reactions. These transformations cause poor cycle life and hinder the wide commercialization of silicon for LIBs. The lithiation and delithiation behaviors, and the interphase reaction mechanisms, are progressively studied and understood. Various nanostructured silicon anodes are reported to exhibit both superior specific capacity and cycle life compared to commercial carbon‐based anodes. However, some practical issues with nanostructured silicon cannot be ignored, and must be addressed if it is to be widely used in commercial LIBs. This Review outlines major impactful work on silicon‐based anodes, and the most recent research directions in this field, specifically, the engineering of silicon architectures, the construction of silicon‐based composites, and other performance‐enhancement studies including electrolytes and binders. The burgeoning research efforts in the development of practical silicon electrodes, and full‐cell silicon‐based LIBs are specially stressed, which are key to the successful commercialization of silicon anodes, and large‐scale deployment of next‐generation high energy density LIBs.

Feng, Kun↗
DOE OSTI2019

Early Observations from Monitoring a Reintroduction Program: Return of Sockeye Salmon to a Nursery Lake of Historical Importance

Abstract The historical distribution of Sockeye Salmon Oncorhynchus nerka in the Columbia River basin has been constrained by the species’ dependence on nursery lakes for juvenile rearing. Several productive lake systems were impounded by dams during the last century leading to the extirpation of Sockeye Salmon from many nursery lakes in the region. Recent efforts to re‐establish populations in historically natal areas are exemplified by the Cle Elum Lake reintroduction program. The program is founded on outplanting adult fish from two middle Columbia River donor populations with different adaptive potentials. We used genetic stock identification methods to differentiate stock origins between Osoyoos Lake ( OSO ) and Lake Wenatchee ( WEN ) donor stocks and to evaluate the relative productivity from two brood years (2011 and 2012) of natural spawning in the novel environment. Spawning ground surveys revealed assortative mating between earlier‐spawning WEN fish that were more abundant farthest upstream and later‐spawning OSO fish that were concentrated (82%) downstream nearest the lake. Hybrids accounted for only 5% of sampled smolts and 4% of adult returns. Smolts rearing in Cle Elum Lake were significantly larger overall ( OSO , 140 mm; WEN , 129 mm) than smolts in either donor population (84 mm). However, the average size of OSO smolts varied among emigration years, and relative smolt abundances favored the WEN stock (70% overall), indicative of a rearing survival advantage. In relation, the WEN stock exhibited a better average rate of replacement (0.80) in adult‐to‐adult escapement compared with the OSO stock (0.17). Continued monitoring will focus on trends in productivity and potential demographic shifts that may arise in the Cle Elum Lake population and will provide managers with information concerning limiting factors in the environment that might affect similar approaches to reintroductions in other lake systems.

Matala, Andrew P.↗
DOE OSTI2018

Photoluminescence investigations on Sm3+ ions doped borate glasses for tricolor w-LEDs and lasers

Highlights: • Borate glasses with Sm3+ ions were synthesized by melt quenching technique. • Under 402 nm excitation Borate glasses show reddish orange luminescence. • Energy transfer through cross-relaxation leads to fall in decay time of Sm3+ ions. • I-H model confirms energy transfer between Sm3+ ions as dipole-dipole in nature. • 1 mol% Sm3+ ions in these glasses are apt for red photonic device applications. - Abstract: This work describes mainly the optical absorption, photoluminescence (PL) and decay spectral properties of Sm{sup 3+} ions doped borate glasses to understand their possible usage in tricolor w-LEDs and lasers.The XRD spectrum recorded for an un-doped glass confirms glassy nature of the as prepared glass. The Judd-Ofelt (J-O) intensity parameters evaluated from experimental oscillator strengths were used in estimating the various radiative parameters. Under 402 nm excitation, the PL spectra exhibit intense emission at 600 nm for which the decay spectral profiles were recorded.The decay profiles are converting from single exponential to non-exponential with increase in Sm{sup 3+} ion concentration ensuing decrease in experimental lifetimes which may be attributed to the efficient energy transfer through cross-relaxation process. The non-exponential decay curves fitted to I-H model reveals the interaction between the Sm{sup 3+} ions as dipole-dipole in nature. From the evaluated emission cross-sections, quantum efficiency, branching ratios and CIE co-ordinates, it is concluded that 1 mol% Sm{sup 3+} ions in these glasses are aptly suitable to fabricate reddish-orange luminescent devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Enhancement of the anaerobic hydrolysis and fermentation of municipal solid waste in leachbed reactors by varying flow direction during water addition and leachate recycle

Highlights: ► Combined downflow and upflow water addition improved hydraulic conductivity. ► Upflow water addition unclogged perforated screen leading to more leachate flow. ► The volume of water added and transmitted positively correlated with hydrolysis process. ► Combined downflow and upflow water addition increased COD production and yield. ► Combined downflow and upflow leachate recycle improved leachate and COD production. - Abstract: Poor performance of leachbed reactors (LBRs) is attributed to channelling, compaction from waste loading, unidirectional water addition and leachate flow causing reduced hydraulic conductivity and leachate flow blockage. Performance enhancement was evaluated in three LBRs M, D and U at 22 ± 3 °C using three water addition and leachate recycle strategies; water addition was downflow in D throughout, intermittently upflow and downflow in M and U with 77% volume downflow in M, 54% volume downflow in U while the rest were upflow. Leachate recycle was downflow in D, alternately downflow and upflow in M and upflow in U. The strategy adopted in U led to more water addition (30.3%), leachate production (33%) and chemical oxygen demand (COD) solubilisation (33%; 1609 g against 1210 g) compared to D (control). The total and volatile solids (TS and VS) reductions were similar but the highest COD yield (g-COD/g-TS and g-COD/g-VS removed) was in U (1.6 and 1.9); the values were 1.33 and 1.57 for M, and 1.18 and 1.41 for D respectively. The strategy adopted in U showed superior performance with more COD and leachate production compared to reactors M and D.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Primary and secondary battery consumption trends in Sweden 1996–2013: Method development and detailed accounting by battery type

Highlights: • Developed MFA method was validated by the national statistics. • Exponential increase of EEE sales leads to increase in integrated battery consumption. • Digital convergence is likely to be a cause for primary batteries consumption decline. • Factors for estimation of integrated batteries in EE are provided. • Sweden reached the collection rates defined by European Union. - Abstract: In this article, a new method based on Material Flow Accounting is proposed to study detailed material flows in battery consumption that can be replicated for other countries. The method uses regularly available statistics on import, industrial production and export of batteries and battery-containing electric and electronic equipment (EEE). To promote method use by other scholars with no access to such data, several empirically results and their trends over time, for different types of batteries occurrence among the EEE types are provided. The information provided by the method can be used to: identify drivers of battery consumption; study the dynamic behavior of battery flows – due to technology development, policies, consumers behavior and infrastructures. The method is exemplified by the study of battery flows in Sweden for years 1996–2013. The batteries were accounted, both in units and weight, as primary and secondary batteries; loose and integrated; by electrochemical composition and share of battery use between different types of EEE. Results show that, despite a fivefold increase in the consumption of rechargeable batteries, they account for only about 14% of total use of portable batteries. Recent increase in digital convergence has resulted in a sharp decline in the consumption of primary batteries, which has now stabilized at a fairly low level. Conversely, the consumption of integrated batteries has increased sharply. In 2013, 61% of the total weight of batteries sold in Sweden was collected, and for the particular case of alkaline manganese dioxide batteries, the value achieved 74%.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Observational Investigation of the Effect of Turbulence on Microphysics and Precipitation in Warm Marine Boundary Layer Clouds

Abstract Turbulence is omnipresent in the marine boundary layer (MBL) and several mechanisms have been proposed regarding its role on MBL cloud microphysics. In particular, past modeling studies suggested that increasing turbulence broaden the droplet size distribution (DSD) and leads to precipitation initiation, this suggested relationship has not been evaluated yet using long‐term observations. Here, comprehensive retrievals from long‐term ground‐based observations are used to explore the impact of turbulence on microphysics and precipitation in drizzling MBL clouds. Our analysis supports that broader DSD and larger droplets are observed with strong turbulence, but interestingly, the precipitation is reduced instead of being enhanced. This suppression mechanism is mainly due to the entrainment and mixing process in which the entrained dry air evaporates cloud water. This study provides observational evidence to show the complex effect of turbulence on MBL cloud properties and implies the potential influence of turbulence on the clouds lifetime.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Rapid design of top-performing metal-organic frameworks with qualitative representations of building blocks

Abstract Data-driven materials design often encounters challenges where systems possess qualitative (categorical) information. Specifically, representing Metal-organic frameworks (MOFs) through different building blocks poses a challenge for designers to incorporate qualitative information into design optimization, and leads to a combinatorial challenge, with large number of MOFs that could be explored. In this work, we integrated Latent Variable Gaussian Process (LVGP) and Multi-Objective Batch-Bayesian Optimization (MOBBO) to identify top-performing MOFs adaptively, autonomously, and efficiently. We showcased that our method (i) requires no specific physical descriptors and only uses building blocks that construct the MOFs for global optimization through qualitative representations, (ii) is application and property independent, and (iii) provides an interpretable model of building blocks with physical justification. By searching only ~1% of the design space, LVGP-MOBBO identified all MOFs on the Pareto front and 97% of the 50 top-performing designs for the CO 2 working capacity and CO 2 /N 2 selectivity properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Non-growing season plant nutrient uptake controls Arctic tundra vegetation composition under future climate

Abstract Plant growth and distribution in high-latitude tundra ecosystems is strongly limited by nutrient availability and is critical for quantifying centennial-scale carbon-climate interactions. However, land model representations of plant–nutrient interactions are uncertain, leading to poor comparisons with high-latitude observations. Although it has been recognized for decades in the observational community that plants continue to acquire nutrients well past when aboveground activity has ceased, most large-scale land models ignore this process. Here we address the role tundra plant nutrient acquisition during the non-growing season (NGS) has on centennial-scale vegetation growth and dynamics, with a focus on shrub expansion. We apply a well-tested mechanistic model of coupled plant, microbial, hydrological, and thermal dynamics that explicitly represents nutrient acquisition based on plant and microbial traits, thereby allowing a prognostic assessment of NGS nutrient uptake. We first show that the model accurately represents observed seasonality of NGS plant nutrient uptake in a northern Alaskan tundra site. Applying the model across the North America tundra indicates that NGS nutrient uptake is consistent with observations and ranges between ∼5% and 50% of annual uptake, with large spatial variability and dependence on plant functional type. We show that NGS plant nutrient acquisition strongly enhances modeled 21 st century tundra shrub growth and expansion rates. Our results suggest that without NGS nutrient uptake, total shrub aboveground dominance would be ∼50% lower, limited primarily by their inability to grow tall enough to maximize their inherent capacity for light competition. Evergreen shrubs would be more strongly affected because of their relatively lower capacity for nutrient remobilization and acquisition compared to deciduous shrubs. Our results highlight the importance of NGS plant and soil processes on high-latitude biogeochemistry and vegetation dynamics and motivate new observations and model structures to represent these dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Deep learning-based spatiotemporal multi-event reconstruction for delay line detectors

Abstract Accurate observation of two or more particles within a very narrow time window has always been a challenge in modern physics. It creates the possibility of correlation experiments, such as the ground-breaking Hanbury Brown–Twiss experiment, leading to new physical insights. For low-energy electrons, one possibility is to use a Microchannel plate with subsequent delay lines for the readout of the incident particle hits, a setup called a Delay Line Detector. The spatial and temporal coordinates of more than one particle can be fully reconstructed outside a region called the dead radius. For interesting events, where two electrons are close in space and time, the determination of the individual positions of the electrons requires elaborate peak finding algorithms. While classical methods work well with single particle hits, they fail to identify and reconstruct events caused by multiple nearby particles. To address this challenge, we present a new spatiotemporal machine learning model to identify and reconstruct the position and time of such multi-hit particle signals. This model achieves a much better resolution for nearby particle hits compared to the classical approach, removing some of the artifacts and reducing the dead radius a factor of eight. We show that machine learning models can be effective in improving the spatiotemporal performance of delay line detectors.

Computer Science↗