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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modeling the Effects of Artificial Drainage on Agriculture-dominated Watersheds using a Fully Distributed Integrated Hydrology Model: Datasets, scripts, model files

This model-data archive supports the research paper that demonstrates the integration of agricultural drainage features—specifically, narrow engineered ditches and tile drains—into a fully distributed, basin-scale integrated surface-subsurface hydrology model (ISSHM), Amanzi-ATS. The model employs innovative computational meshes aligned with agricultural ditches and incorporates the physically based Hooghoudt's drainage equation to simulate tile drainage, offering a novel strategy that enhances the accuracy of hydrological simulations.The archived dataset includes input parameters, model configurations, and select simulation outputs for the Amanzi-ATS model that successfully captured the streamflow patterns in the Portage River Watershed as validated by USGS gauge readings. Jupyter notebook for the preparation of model inputs and post-processing of outputs are also included. The model's predictive performance achieved a normalized Kling-Gupta Efficiency (KGE) of 0.81, surpassing SWAT without the necessity for site-specific calibration.The Amanzi-ATS model presented in this modeL-data archive allows for numerical experiments to explore the shifts in the flow structure under different drainage scenarios. As a tool for advancing the understanding of distributed hydrological responses and nutrient cycling, this archived model provides valuable insights for researchers, modelers, and decision-makers involved in watershed management and environmental modeling.The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model, are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

2015 Geothermal Technologies Office Peer Review Summary: Energetic Materials for EGS Well Stimulation

The development of enhanced or engineered geothermal systems (EGS), by definition, includes an engineered approach to reservoir stimulation. EGS require an effective method of generating a high surface area network of fractures, or the stimulation of existing fractures, in a formation in order to increase permeability/heat-transfer. The most accepted methodologies include hydraulic fracturing and chemical stimulation. Alternative methods employing energetic materials have been employed for reservoir stimulation. For oil & gas reservoirs, this has been accomplished in the past with solid propellant gas generators and high explosives but the pressurization rate and final pressure cannot be controlled or easily adjusted in the field. Our program is investigating controlled and tailored rapid gas generation from solid, liquid and gaseous energetic formulations to operate in the chasm between conventional propellants and solid high explosives. This distinct solid, liquid and gas phase energetic materials approach has specific attributes and that could be used synergistically or individually to enhance a specific formation. This may prove to enhance the viability of using geothermal resources for power production. By employing optimized energetic materials we can tailor burn rates above propellant burn rates to optimize the gas generation rate without entering the excessive realm of the high pressures generated by high explosives. Gas phase energetic materials offer a unique method of tailoring reaction rate and final pressure. Again, rapid pressurization at rates, far exceeding quasi-static conventional hydraulic rates, can generate multiple radial wellbore fractures and potentially provide a mechanism to induce shear destabilization within the formation that enables the fractures to be self-propping. Multiple fractures from the wellbore allow efficient coupling to the existing formation fracture network. Furthermore, these techniques allow for repeated stimulations allowing fractures to be extended further. Controlled rate pressurization is a useful tool for the efficient implementation of EGS. This multi-phase approach to fracturing can eliminate the need for massive pumping equipment and the water required with conventional hydraulic fracturing methods. Additionally these methods use “green” materials with negligible environmental impact. These methods promise to be more economical than conventional stimulation techniques. Our objective is to develop a family of ideal candidate energetic systems for optimally stimulating a formation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Monticello Mill Tailings Site Operable Unit III Annual Groundwater Report May 2014 Through April 2015, October 2015

This report provides the annual analysis of water quality restoration progress, cumulative through April 2015, for Operable Unit (OU) III, surface water and groundwater, of the U.S. Department of Energy (DOE) Office of Legacy Management Monticello Mill Tailings Site (MMTS). The MMTS is a Comprehensive Environmental Response, Compensation, and Liability Act National Priorities List site located in and near the city of Monticello, San Juan County, Utah. MMTS comprises the 110-acre site of a former uranium- and vanadium-ore-processing mill (mill site) and 1,700 acres of surrounding private and municipal property. Milling operations generated 2.5 million cubic yards of waste (tailings) from 1942 to 1960. The tailings were impounded at four locations on the mill site. Inorganic constituents in the tailings drained from the impoundments to contaminate local surface water (Montezuma Creek) and groundwater in the underlying alluvial aquifer. Mill tailings dispersed by wind and water also contaminated properties surrounding and downstream of the mill site. Remedial actions to remove and isolate radiologically contaminated soil, sediment, and debris from the former mill site (OU I) and surrounding properties (OU II) were completed in 1999 with the encapsulation of the wastes in an engineered repository located on DOE property 1 mile south of the former mill site. Contamination of groundwater and surface water remains within OU III at levels that exceed water quality protection standards. Uranium is the primary contaminant of concern. LM implemented monitored natural attenuation with institutional controls as the OU III remedy in 2004. Because groundwater restoration proceeded more slowly than expected and did not meet performance criteria established in the OU III Record of Decision (June 2004), LM implemented a contingency action in 2009 by an Explanation of Significant Difference to include a pump-and-treat system using a single extraction well and treatment by zero-valent iron (ex-situ treatment system). The contingency action was optimized in 2015 with the installation of 8 extraction wells and 16 monitoring wells in a focused area of the aquifer (area of attainment). Contaminated water is treated by solar evaporation at an existing onsite LM facility. Environmental monitoring at OU III consists of twice-yearly (April and October) collection and analysis of hydrologic and water-quality data from an established network of observation wells, seeps, and surface water locations. The scope of monitoring was expanded in 2009 for the ex situ treatment system and in 2015 for the remedy optimization system. Operation and monitoring of the ex situ treatment system was discontinued in 2014 with the start-up of the remedy optimization system. No data anomalies for OU III water quality trending or restoration progress are identified for the May 2014 through April 2015 reporting period. Although some regions of the aquifer demonstrate decreasing concentration trends, such trending is not evident for the bulk of the aquifer and a prolonged restoration period is indicated. The groundwater contingency remedy optimization system captures significant contaminant mass (primarily uranium) from the area of attainment; however, because that system only became operational in 2015, a long-term forecast of restoration progress is premature.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Electrochemical Polishing Applications and EIS of a Novel Choline Chloride-Based Ionic Liquid

Minimal surface roughness is a critical feature for high-field superconducting radio frequency (SRF) cavities used to engineer particle accelerators. Current methods for polishing Niobium cavities typically utilize solutions containing a mixture of concentrated sulfuric and hydrofluoric acid. Polishing processes such as these are effective, yet there are many hazards and costs associated with the use (and safe disposal) of the concentrated acid solutions. An alternative method for electrochemical polishing of the cavities was explored using a novel ionic liquid solution containing choline chloride. Potentiostatic electrochemical impedance spectroscopy (EIS) was used to analyze the ionic polishing solution. Final surface roughness of the Nb was found to be comparable to that of the acid-polishing method, as assessed by atomic force microscopy (AFM). This indicates that ionic liquid-based electrochemical polishing of Nb is a viable replacement for acid-based methods for preparation of SRF cavities.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gas-phase microactuation using kinetically controlled surface states of ultrathin catalytic sheets

Biological systems convert chemical energy into mechanical work by using protein catalysts that assume kinetically controlled conformational states. Synthetic chemomechanical systems using chemical catalysis have been reported, but they are slow, require high temperatures to operate, or indirectly perform work by harnessing reaction products in liquids (e.g., heat or protons). Here, we introduce a bioinspired chemical strategy for gas-phase chemomechanical transduction that sequences the elementary steps of catalytic reactions on ultrathin (<10 nm) platinum sheets to generate surface stresses that directly drive microactuation (bending radii of 700 nm) at ambient conditions (T = 20 °C; P total = 1 atm). When fueled by hydrogen gas and either oxygen or ozone gas, we show how kinetically controlled surface states of the catalyst can be exploited to achieve fast actuation (600 ms/cycle) at 20 °C. Finally, we also show that the approach can integrate photochemically controlled reactions and can be used to drive the reconfiguration of microhinges and complex origami- and kirigami-based microstructures.

42 ENGINEERING↗
DOE OSTI2023

Mechanistic origins of corrosion protection of aluminum alloys by graphene/polyetherimide nanocomposite coatings

Light-weighting vehicular components through adoption of light-metal structural alloys holds promise for reducing the fuel consumption of internal combustion engine vehicles and increasing the range of battery electric vehicles. However, the alloyed microstructure and surface precipitates of aluminum alloys render these materials susceptible to corrosion under modest excursions from neutral pH. Traditional chromium-based anodic passivation layers are subject to increasingly stringent environmental regulations, whereas options for sacrificial cathodic films are sparse for electropositive metals. While hybrid nanocomposite coatings have shown initial promise, mechanistic underpinnings remain poorly understood. Here, a fully imidized polyetherimide (PEI) resin is utilized as the continuous phase with inclusion of unfunctionalized exfoliated graphite (UFG). A comprehensive investigation of the mechanisms of corrosion protection reveals key fundamental design principles underpinning corrosion inhibition. First, strong interfacial adhesion, which for PEI is facilitated by binding of imide carbonyl moieties to Lewis acidic sites on Al surfaces. Second, the miscibility of ion-impervious nanoscopic UFG fillers and stabilization of a substantial interphase region at UFG/PEI boundaries that result in minimizing the free volume at the filler/polymer interface. Finally, extended tortuosity of ion diffusion pathways imbued by the below-percolation-threshold 2D fillers. These three design principles help govern and modulate ion transport from electrolyte/coating interfaces to the coating/metal interface and are crucial for the extended preservation of barrier properties. The results suggest an approach to systematically activate multiple modes of corrosion inhibition through rational design of hybrid nanocomposite coatings across hard-to-abate sectors where light metal alloys are likely to play an increasingly prominent role.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microwave Heating of a Liquid Stably Flowing in a Circular Channel Under the Conditions of Nonstationary Radiative-Convective Heat Transfer

A class of nonlinear problems of nonstationary radiative-convective heat transfer under the microwave action with a small penetration depth is considered in a stabilized coolant flow in a circular channel. The solutions to these problems are obtained, using asymptotic procedures at the stages of nonstationary and stationary convective heat transfer on the heat-radiating channel surface. The nonstationary and stationary stages of the solution are matched, using the 'longitudinal coordinate–time' characteristic. The approximate solutions constructed on such principles correlate reliably with the exact ones at the limiting values of the operation parameters, as well as with numerical and experimental data of other researchers. An important advantage of these solutions is that they allow the determination of the main regularities of the microwave and thermal radiation influence on convective heat transfer in a channel even before performing cumbersome calculations. It is shown that, irrespective of the heat exchange regime (nonstationary or stationary), the Nusselt number decreases and the rate of the surface temperature change increases with increase in the intensity of thermal action.

42 ENGINEERING↗
DOE OSTI2016

Thermal chemistry of copper acetamidinate atomic layer deposition precursors on silicon oxide surfaces studied by XPS

The thermal surface chemistry of copper(I)-N,N′-di-sec-butylacetamidinate, [Cu({sup s}Bu-amd)]{sub 2}, a metalorganic complex recently proposed for the chemical-based deposition of copper films, has been characterized on SiO{sub 2} films under ultrahigh vacuum conditions by x-ray photoelectron spectroscopy (XPS). Initial adsorption at cryogenic temperatures results in the oxidation of the copper centers with Cu 2p{sub 3/2} XPS binding energies close to those seen for a +2 oxidation state, an observation that the authors interpret as the result of the additional coordination of oxygen atoms from the surface to the Cu atoms of the molecular acetamidinate dimer. Either heating to 300 K or dosing the precursor directly at that temperature leads to the loss of one of its two ligands, presumably via hydrogenation/protonation with a hydrogen/proton from a silanol group, or following a similar reaction on a defect site. By approximately 500 K the Cu 2p{sub 3/2}, C 1s, and N 1s XPS data suggest that the remaining acetamidinate ligand is displaced from the copper center and bonds to the silicon oxide directly, after which temperatures above 900 K need to be reached to promote further (and only partial) decomposition of those organic moieties. It was also shown that the uptake of the Cu precursor is self-limiting at either 300 or 500 K, although the initial chemistry is somewhat different at the two temperatures, and that the nature of the substrate also defines reactivity, with the thin native silicon oxide layer always present on Si(100) surfaces being less reactive than thicker films grown by evaporation, presumably because of the lower density of surface nucleation sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Influence of heat and mass flux conditions in hydromagnetic flow of Jeffrey nanofluid

This article explores the hydromagnetic steady flow of Jeffrey fluid in the presence of thermal radiation. The chosen nanofluid model takes into account the Brownian motion and thermophoresis effects. Flow and heat transfer characteristics are determined by a stretching surface with flux conditions. The nonlinear boundary layer flow through partial differential systems is converted into the ordinary differential systems. The resulting reduced systems are computed for the convergent solutions of velocity, temperature and nanoparticle concentration. Graphs of dimensionless temperature and nanoparticle concentration profiles are presented for different values of emerging parameters. Skin-friction coefficient are computed and analyzed in both hydrodynamic and hydromagnetic flow situations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Smoother Surfaces Enhance Diffusion of Nanorods in Entangled Polymer Melts

Coarse-grained molecular dynamics simulations are used to study the diffusion of thin nanorods in entangled polymer melts for varying nanorod length and roughness. While prior studies observed a nanorod parallel diffusion constant scaling inversely with rod length D ∥ ~ l –1 , here, we show that this scaling is not universal and depends sensitively on the nanorod surface roughness. We observe D ∥ ~ l –k , where k < 1 and decreases with decreasing surface roughness. The weaker scaling is driven by the non-Gaussian diffusion of nanorods due to the emergence of an intermittent hopping process that becomes more pronounced with decreasing roughness at the monomer scale. Analysis shows that the mean hop size grows for smoother rods but shows little to no variation with rod length. The mean hopping frequency shows no dependence on either rod length or roughness, suggesting it originates from the polymer melt environment. Further, our results show that the small-scale features of the nanorod surface strongly influence the large-scale and long-time transport of nanorods in polymer matrices, creating new material design opportunities for precisely engineered nanocomposites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Hydrogen desorption kinetics for aqueous hydrogen fluoride and remote hydrogen plasma processed silicon (001) surfaces

The desorption kinetics of molecular hydrogen (H{sub 2}) from silicon (001) surfaces exposed to aqueous hydrogen fluoride and remote hydrogen plasmas were examined using temperature programmed desorption. Multiple H{sub 2} desorption states were observed and attributed to surface monohydride (SiH), di/trihydride (SiH{sub 2/3}), and hydroxide (SiOH) species, subsurface hydrogen trapped at defects, and hydrogen evolved during the desorption of surface oxides. The observed surface hydride species were dependent on the surface temperature during hydrogen plasma exposure with mono, di, and trihydride species being observed after low temperature exposure (150 °C), while predominantly monohydride species were observed after higher temperature exposure (450 °C). The ratio of surface versus subsurface H{sub 2} desorption was also found to be dependent on the substrate temperature with 150 °C remote hydrogen plasma exposure generally leading to more H{sub 2} evolved from subsurface states and 450 °C exposure leading to more H{sub 2} desorption from surface SiH{sub x} species. Additional surface desorption states were observed, which were attributed to H{sub 2} desorption from Si (111) facets formed as a result of surface etching by the remote hydrogen plasma or aqueous hydrogen fluoride treatment. The kinetics of surface H{sub 2} desorption were found to be in excellent agreement with prior investigations of silicon surfaces exposed to thermally generated atomic hydrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Plasmon 3D Electron Tomography and Local Electric-Field Enhancement of Engineered Plasmonic Nanoantennas

Plasmonic nano-antennas are pushing the limits of optical imaging resolution capabilities in near-field scanning optical microscopy (NSOM). Accordingly, these techniques are driving the basic understanding of photonic and optoelectronic nanoscale devices with applications in sensing, energy conversion, solid-state lighting and information technology. Imaging the localized surface plasmon resonance (LSPR) at the nanoscale is a key to understanding the optical responses of a given tip geometry in order to engineer better plasmonic nano-antennas for near-field experiments. In recent years the advancement of focused ion beam technology provides the ability to directly modify plasmonic structures with nanometer resolution. Also, scanning transmission electron microscopy (STEM) with electron energy loss spectroscopy (EELS) is an established technique allowing imaging of LSPR. Specifically, the combination of these two techniques provides spectrally sensitive two-dimensional (2D) imaging information to better visualize and understand LSPR on the nanometer scale. This can be combined with electron tomography to provide the three-dimensional LSPR distribution. Here in this paper we demonstrate the fabrication of Au nano-pyramids using helium ion microscopy, and analyze the LSPR in 3D reconstructions produced by total variation (TV)-norm minimization of a set of 2D STEM-EELS maps. Additionally, a boundary element simulation method was used to verify the experimentally observed nanopyramid LSPR modes. Finally, we show that the point-spread-functions (PSF) of LSPR mode hot spots in nanopyramids differ to local electric-field enhancement under optical excitation making direct comparison to NSOM experimental resolution difficult. Furthermore, the STEM-EELS results show how LSPR modes are influenced by the tip characteristics, which can inform the development of new nano-antenna designs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Engineering Platinum Alloy Electrocatalysts in Nanoscale for PEMFC Application

Fuel cells are expected to be a key next-generation energy source used for vehicles and homes, offering high energy conversion efficiency and minimal pollutant emissions. However, due to large overpotentials on anode and cathode, the efficiency is still much lower than theoretically predicted. During the past decades, considerable efforts have been made to investigate synergy effect of platinum alloyed with base metals. But, engineering the alloy particles in nanoscale has been a challenge. Most important challenges in developing nanostructured materials are the abilities to control size, monodispersity, microcomposition, and even morphology or self-assembly capability, so called Nanomaterials-by-Design, which requires interdisciplinary collaborations among computational modeling, chemical synthesis, nanoscale characterization as well as manufacturing processing. Electrocatalysts, particularly fuel cell catalysts, are dramatically different from heterogeneous catalysts because the surface area in micropores cannot be electrochemically controlled on the same time scale as more transport accessible surfaces. Therefore, electrocatalytic architectures need minimal microporous surface area while maximizing surfaces accessible through mesopores or macropores, and to "pin" the most active, highest performance physicochemical state of the materials even when exposed to thermodynamic forces, which would otherwise drive restructuring, crystallization, or densification of the nanoscale materials. In this presentation, results of engineering nanoscale platinum alloy particles down to 2 ~ 4 nm will be discussed. Based on nature of alloyed base metals, various synthesis technologies have been studied and developed to achieve capabilities of controlling particle size and particle microcomposition, namely, core-shell synthesis, microemulsion technique, thermal decomposition process, surface organometallic chemical method, etc. The results show that by careful engineering the particle size and microcomposition in nanoscale, it is able to achieve superior electrocatalytic activities comparing with traditional preparative methods. Examples to be discussed are high surface area carbon supported Pt, PtM binary, and PtMN ternary alloys, their synthesis processes, characterizations and electrocatalytic activities towards molecular oxygen reduction.

Alloy↗
DOE OSTI2021

Structure-activity relationship of Pt catalyst on engineered ceria-alumina support for CO oxidation

In heterogeneous catalysis, the promotion of low temperature activity and enhancement of thermal stability simultaneously especially for precious metal catalysts is always highly demanded but very challenging. In this work, we report a novel Pt catalyst on ceria-alumina (CeO 2 /Al 2 O 3 ) support (Pt/CA-T) engineered by a two-step ceria deposition strategy, exhibiting superior thermal stability and low-temperature carbon monoxide (CO) oxidation activity after activation. Pt single sites anchored to engineered CeO 2 edge sites are much more stable than that to CeO 2 (111) surface, and such stable single sites can be transformed into highly active Pt clusters for efficient low-temperature CO oxidation. Active site identification indicates that the CO oxidation activity of different Pt sites follows such sequence: Pt cluster step sites ≈ Pt cluster terrace sites > Pt cluster corner sites $\gg$ Pt single sites on CeO 2 . The excellent low temperature activity of activated Pt/CA-T catalyst for CO oxidation is associated with its abundant Pt cluster step and terrace sites as well as rich Pt-CeO 2 interfaces, which facilitate the adsorption of active CO species and superior oxygen activation/transfer ability. The present study provides new insights into the structure–activity relationship of Pt-CeO 2 -Al 2 O 3 catalyst, which can also guide the preparation of other highly robust supported catalysts for important industrial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Strategies for Post-Synthetic Functionalization of Mesoporous Carbon Nanomaterial Surfaces

Most widely used carbon-based materials feature a bulk framework tolerant of extreme pH and temperature conditions while maintaining physical robustness, electrical conductivity, and biological relevance due to its inherent nontoxicity. At the nanoscale, the study of porous carbons has been of interest because of the enhanced accessible surface area relative to nonporous analogues. The evolution of synthetic techniques has developed structural allotropes with tunable internal pore diameter averages spanning from sub-nanometer to micron-plus sizes. Within the mesopore range, surface chemical phenomena abide by a kinetic-limited ruleset (ignoring the effects of bulk diffusion, as they do not pertain to this size regime). Further, mesopores provide sufficient volume and surface area for hosting guest species, including metal nanoparticles (MNP), polymers, small organics, and enzymes. These two unique features of mesoporous carbon (MC) drive interest in surface modifications to create new physicochemical functionality to these systems and their hosted species. As a result, the evolution of surface modification techniques has been scattered to disparate niches across the literature. This review compiles the array of elegant methods by which these carbon systems are topically engineered.

functionalization↗
DOE OSTI2016

Enhanced quantum efficiency of photoelectron emission, through surface textured metal electrodes

It is predicted that the quantum efficiency (QE) of photoelectron emission from metals may be enhanced, possibly by an order of magnitude, through optimized surface texture. Through extensive computational simulations, it is shown that the absorption enhancement in select surface groove geometries may be a dominant contributor to enhanced QE and corresponds to localized Fabry–Perot resonances. The inadequacy of extant analytical models in predicting the QE increase, and suggestions for further improvement, are discussed.

42 ENGINEERING↗