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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Advanced manufacturing for electrosynthesis of fuels and chemicals from CO 2

Advanced manufacturing (AM) represents an appealing approach for creating novel electrochemical systems for chemicals synthesis. In this work, we demonstrate AM for rapid development and testing for improved performance for the carbon dioxide reduction reaction across an evolution of vapor-fed reactor designs. In our final design, we observe activation- and mixed-control regimes for a variety of operating conditions via inlet CO 2 flow rate and electrochemical potential. Furthermore, we define a dimensionless number (Da) to identify mass transport regimes by exploring the impact of hypothesized underlying mass transport mechanisms, including consumption of CO 2 via OH - , increased local temperatures, and partial penetration of electrolyte into gas diffusion layer. The accelerated pace of reactor design and development led to high geometric current densities (500 mA cm -2 ), heightened selectivity (85.5% FE C 2+ products), and increased carbon dioxide conversion (16.6%) and cathodic energy efficiency (49.6% CO 2 R). Using AM vapor-fed reactors, we attain high ethylene (3.67%) and record ethanol (3.66%) yields compared to the literature. Finally, this work underscores the promise of AM for accelerating reactor design, understanding of governing phenomena, and improving the performance of catalytic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Designing optimal core–shell MOFs for direct air capture

Metal–organic frameworks (MOFs), along with other novel adsorbents, are frequently proposed as candidate materials to selectively adsorb CO 2 for carbon capture processes. However, adsorbents designed to strongly bind CO 2 nearly always bind H 2 O strongly (sometimes even more so). Given that water is present in significant quantities in the inlet streams of most carbon capture processes, a method that avoids H 2 O competition for the CO 2 binding sites would be technologically valuable. Here, in this paper, we consider a novel core–shell MOF design strategy, where a high-CO 2 -capacity MOF “core” is protected from competitive H 2 O-binding via a MOF “shell” that has very slow water diffusion. We consider a high-frequency adsorption/desorption cycle that regenerates the adsorbents before water can pass through the shell and enter the core. To identify optimal core–shell MOF pairs, we use a combination of experimental measurements, computational modeling, and multiphysics modeling. Our library of MOFs is created from two starting MOFs-UiO-66 and UiO-67-augmented with 30 possible functional group variations, yielding 1740 possible core–shell MOF pairs. After defining a performance score to rank these pairs, we identified 10 core–shell MOF candidates that significantly outperform any of the MOFs functioning alone.

42 ENGINEERING↗
DOE OSTI2025

Direct high-altitude observations of 2-methyltetrols in the gas- and particle phase in air masses from Amazonia

We present direct observations of 2-methyltetrol (C 5 H 12 O 4 ) in the gas- and particle phase from the deployment of a Filter Inlet for Gases and Aerosols coupled to a Time-of-Flight Chemical Ionization Mass Spectrometer (FIGAERO-CIMS) during the Southern Hemisphere High Altitude Experiment on Particle Nucleation and Growth (SALTENA), which took place between December 2017 and June 2018 at the high-altitude Global Atmosphere Watch station Chacaltaya (CHC) located at 5240 m a s l in the Bolivian Andes. 2-Methyltetrol signals were dominant in a factor resulting from Positive Matrix Factorization (PMF) identified as influenced by Amazon emissions. We combine these observations with investigations of isoprene oxidation chemistry and uptake in an isolated deep convective cloud in the Amazon using a photochemical box model with coupled cloud microphysics and show that, likely, 2-methyltetrol is taken up by hydrometeors or formed in situ in the convective cloud, and then transported in the particle phase in the cold environment of the Amazon outflow and to the station, where it partially evaporates.

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

Electromagnetic wave attenuation measurements in a ring-shaped inductively coupled air plasma

An aerocraft with the surface, inlet and radome covered large-area inductive coupled plasma (ICP) can attenuate its radar echo effectively. The shape, thickness, and electron density (N{sub e}) distribution of ICP are critical to electromagnetic wave attenuation. In the paper, an air all-quartz ICP generator in size of 20 × 20 × 7 cm{sup 3} without magnetic confinement is designed. The discharge results show that the ICP is amorphous in E-mode and ring-shaped in H-mode. The structure of ICP stratifies into core region and edge halo in H-mode, and its width and thickness changes from power and pressure. Such phenomena are explained by the distribution of RF magnetic field, the diffusion of negative ions plasma and the variation of skin depth. In addition, the theoretical analysis shows that the N{sub e} achieves nearly uniform within the electronegative core and sharply steepens in the edge. The N{sub e} of core region is diagnosed by microwave interferometer under varied conditions (pressure in range of 10–50 Pa, power in 300–700 W). Furthermore, the electromagnetic wave attenuation measurements were carried out with the air ICP in the frequencies of 4–5 GHz. The results show that the interspaced ICP is still effective to wave attenuation, and the wave attenuation increases with the power and pressure. The measured attenuation is approximately in accordance with the calculation data of finite-different time-domain simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Effect of electrode spacing on the density distributions of electrons, ions, and metastable and radical molecules in SiH{sub 4}/NH{sub 3}/N{sub 2}/He capacitively coupled plasmas

Semiconductor fabrication often requires the deposition of hydrogenated silicon nitride (SiN{sub x}H{sub y}) film using SiH{sub 4}/NH{sub 3}/N{sub 2}/He capacitively coupled plasma (CCP) discharge. As analysis of the discharge geometry is essential to understanding CCP deposition, the effect of electrode spacing on the two-dimensional distributions of electrons, ions, and metastable and radical molecules was analyzed numerically using a fluid model. The simulation shows that the spatial variations in the ionization rates near the sheath become more obvious as the electrode spacing increases. In addition, as molecule-molecule gas-phase reactions are significantly affected by the local residence time, large electrode spacings are associated with significant volumetric losses for positive ions. Consequently, an increase of the electrode spacing leads axial density profiles of ions to change from bell shaped to double humped. However, NH{sub 4}{sup +} persistently maintains a bell-shaped axial density profile regardless of the degree of electrode spacing. We set the mole fraction of NH{sub 3} to only 1% of the total flow at the inlet, but NH{sub 4}{sup +} is the most abundant positive ion at the large electrode spacings. As the gas flow can transport the radicals around the space between the electrodes, we found that radical density distribution shifts toward the grounded electrode. The shift becomes pronounced as the electrode spacing increases. Finally, to validate our model, we compared the calculated deposition rate profile with the experimental data obtained along the wafer radius. According to our numerical results, the SiN{sub x}H{sub y} deposition rate decreases by approximately 16% when the electrode spacing increases from 9 to 20 mm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Atmospheric pressure plasma chemical vapor deposition reactor for 100 mm wafers, optimized for minimum contamination at low gas flow rates

Gas discharge plasmas used for thinfilm deposition by plasma-enhanced chemical vapor deposition (PECVD) must be devoid of contaminants, like dust or active species which disturb the intended chemical reaction. In atmospheric pressure plasma systems employing an inert gas, the main source of such contamination is the residual air inside the system. To enable the construction of an atmospheric pressure plasma (APP) system with minimal contamination, we have carried out fluid dynamic simulation of the APP chamber into which an inert gas is injected at different mass flow rates. On the basis of the simulation results, we have designed and built a simple, scaled APP system, which is capable of holding a 100 mm substrate wafer, so that the presence of air (contamination) in the APP chamber is minimized with as low a flow rate of argon as possible. This is examined systematically by examining optical emission from the plasma as a function of inert gas flow rate. It is found that optical emission from the plasma shows the presence of atmospheric air, if the inlet argon flow rate is lowered below 300 sccm. That there is minimal contamination of the APP reactor built here, was verified by conducting an atmospheric pressure PECVD process under acetylene flow, combined with argon flow at 100 sccm and 500 sccm. The deposition of a polymer coating is confirmed by infrared spectroscopy. X-ray photoelectron spectroscopy shows that the polymer coating contains only 5% of oxygen, which is comparable to the oxygen content in polymer deposits obtained in low-pressure PECVD systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Thermalhydraulic calculation for boiling water reactor and its natural circulation component

Thermalhydraulic of reactor core is the thermal study on fluids within the core reactor, i.e. analysis of the thermal energy transfer process produced by fission reaction from fuel to the reactor coolant. This study include of coolant temperature and reactor power density distribution. The purposes of this analysis in the design of nuclear power plant are to calculate the coolant temperature distribution and the chimney height so natural circulation could be occurred. This study was used boiling water reactor (BWR) with cylinder type reactor core. Several reactor core properties such as linear power density, mass flow rate, coolant density and inlet temperature has been took into account to obtain distribution of coolant density, flow rate and pressure drop. The results of calculation are as follows. Thermal hydraulic calculations provide the uniform pressure drop of 1.1 bar for each channels. The optimum mass flow rate to obtain the uniform pressure drop is 217g/s. Furthermore, from the calculation it could be known that outlet temperature is 288°C which is the saturated fluid’s temperature within the system. The optimum chimney height for natural circulation within the system is 14.88 m.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Design study of lead bismuth cooled fast reactors and capability of natural circulation

A preliminary study designs SPINNOR (Small Power Reactor, Indonesia, No On-Site Refueling) liquid metal Pb-Bi cooled fast reactors, fuel (U, Pu)N, 150 MWth have been performed. Neutronic calculation uses SRAC which is designed cylindrical core 2D (R-Z) 90 × 135 cm, on the core fuel composed of heterogeneous with percentage difference of PuN 10, 12, 13% and the result of calculation is effective neutron multiplication 1.0488. Power density distribution of the output SRAC is generated for thermal hydraulic calculation using Delphi based on Pascal language that have been developed. The research designed a reactor that is capable of natural circulation at inlet temperature 300 °C with variation of total mass flow rate. Total mass flow rate affect pressure drop and temperature outlet of the reactor core. The greater the total mass flow rate, the smaller the outlet temperature, but increase the pressure drop so that the chimney needed more higher to achieve natural circulation or condition of the system does not require a pump. Optimization of the total mass flow rate produces optimal reactor design on the total mass flow rate of 5000 kg/s with outlet temperature 524,843 °C but require a chimney of 6,69 meters.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Spectroscopic identification of ethanol-water conformers by large-amplitude hydrogen bond librational modes

The far-infrared absorption spectra have been recorded for hydrogen-bonded complexes of water with ethanol embedded in cryogenic neon matrices at 2.8 K. The partial isotopic H/D-substitution of the ethanol subunit enabled by a dual inlet deposition procedure enables the observation and unambiguous assignment of the intermolecular high-frequency out-of-plane and the low-frequency in-plane donor OH librational modes for two different conformations of the mixed binary ethanol/water complex. The resolved donor OH librational bands confirm directly previous experimental evidence that ethanol acts as the O⋯HO hydrogen bond acceptor in the two most stable conformations. In the most stable conformation, the water subunit forces the ethanol molecule into its less stable gauche configuration upon dimerization owing to a cooperative secondary weak O⋯HC hydrogen bond interaction evidenced by a significantly blue-shift of the low-frequency in-plane donor OH librational band origin. The strong correlation between the low-frequency in-plane donor OH librational motion and the secondary intermolecular O⋯HC hydrogen bond is demonstrated by electronic structure calculations. The experimental findings are further supported by CCSD(T)-F12/aug-cc-pVQZ calculations of the conformational energy differences together with second-order vibrational perturbation theory calculations of the large-amplitude donor OH librational band origins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Optimization of micropillar sequences for fluid flow sculpting

Inertial fluid flow deformation around pillars in a microchannel is a new method for controlling fluid flow. Sequences of pillars have been shown to produce a rich phase space with a wide variety of flow transformations. Previous work has successfully demonstrated manual design of pillar sequences to achieve desired transformations of the flow cross section, with experimental validation. However, such a method is not ideal for seeking out complex sculpted shapes as the search space quickly becomes too large for efficient manual discovery. We explore fast, automated optimization methods to solve this problem. We formulate the inertial flow physics in microchannels with different micropillar configurations as a set of state transition matrix operations. These state transition matrices are constructed from experimentally validated streamtraces for a fixed channel length per pillar. This facilitates modeling the effect of a sequence of micropillars as nested matrix-matrix products, which have very efficient numerical implementations. With this new forward model, arbitrary micropillar sequences can be rapidly simulated with various inlet configurations, allowing optimization routines quick access to a large search space. We integrate this framework with the genetic algorithm and showcase its applicability by designing micropillar sequences for various useful transformations. We computationally discover micropillar sequences for complex transformations that are substantially shorter than manually designed sequences. We also determine sequences for novel transformations that were difficult to manually design. Finally, we experimentally validate these computational designs by fabricating devices and comparing predictions with the results from confocal microscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Simulation of an active cooling system for photovoltaic modules

Photovoltaic cells are devices that convert solar radiation directly into electricity. However, solar radiation increases the photovoltaic cells temperature [1] [2]. The temperature has an influence on the degradation of the cell efficiency and the lifetime of a PV cell. This work reports on a water cooling technique for photovoltaic panel, whereby the cooling system was placed at the front surface of the cells to dissipate excess heat away and to block unwanted radiation. By using water as a cooling medium for the photovoltaic solar cells, the overheating of closed panel is greatly reduced without prejudicing luminosity. The water also acts as a filter to remove a portion of solar spectrum in the infrared band but allows transmission of the visible spectrum most useful for the PV operation. To improve the cooling system efficiency and electrical efficiency, uniform flow rate among the cooling system is required to ensure uniform distribution of the operating temperature of the PV cells. The aims of this study are to develop a 3D thermal model to simulate the cooling and heat transfer in Photovoltaic panel and to recommend a cooling technique for the PV panel. The velocity, pressure and temperature distribution of the three-dimensional flow across the cooling block were determined using the commercial package, Fluent. The second objective of this work is to study the influence of the geometrical dimensions of the panel, water mass flow rate and water inlet temperature on the flow distribution and the solar panel temperature. The results obtained by the model are compared with experimental results from testing the prototype of the cooling device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Numerical analysis of hydrodynamics in a rotor-stator reactor for biodiesel synthesis

A rotor-stator spinning disk reactor for intensified biodiesel synthesis is described and numerically simulated. The reactor consists of two flat disks, located coaxially and parallel to each other with a gap ranging from 0.1 mm to 0.2 mm between the disks. The upper disk is located on a rotating shaft while the lower disk is stationary. The feed liquids, triglycerides (TG) and methanol are introduced coaxially along the center line of rotating disk and stationary disk, respectively. Fluid hydrodynamics in the reactor for synthesis of biodiesel from TG and methanol in the presence of a sodium hydroxide catalyst are simulated, using convection-diffusion-reaction species transport model by the CFD software ANSYS©Fluent v. 13.0. The effects of upper disk’s spinning speed, gap size and flow rates at inlets are evaluated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Simulated performance of biomass gasification based combined power and refrigeration plant for community scale application

Thermal performance analysis and sizing of a biomass gasification based combined power and refrigeration plant (CPR) is reported in this study. The plant is capable of producing 100 kWe of electrical output while simultaneously producing a refrigeration effect, varying from 28-68 ton of refrigeration (TR). The topping gas turbine cycle is an indirectly heated all-air cycle. A combustor heat exchanger duplex (CHX) unit burns producer gas and transfer heat to air. This arrangement avoids complex gas cleaning requirements for the biomass-derived producer gas. The exhaust air of the topping GT is utilized to run a bottoming ammonia absorption refrigeration (AAR) cycle via a heat recovery steam generator (HRSG), steam produced in the HRSG supplying heat to the generator of the refrigeration cycle. Effects of major operating parameters like topping cycle pressure ratio (r{sub p}) and turbine inlet temperature (TIT) on the energetic performance of the plant are studied. Energetic performance of the plant is evaluated via energy efficiency, required biomass consumption and fuel energy savings ratio (FESR). The FESR calculation method is significant for indicating the savings in fuel of a combined power and process heat plant instead of separate plants for power and process heat. The study reveals that, topping cycle attains maximum power efficiency of 30%in pressure ratio range of 8-10. Up to a certain value of pressure ratio the required air flow rate through the GT unit decreases with increase in pressure ratio and then increases with further increase in pressure ratio. The capacity of refrigeration of the AAR unit initially decreases up to a certain value of topping GT cycle pressure ratio and then increases with further increase in pressure ratio. The FESR is found to be maximized at a pressure ratio of 9 (when TIT=1100°C), the maximum value being 53%. The FESR is higher for higher TIT. The heat exchanger sizing is also influenced by the topping cycle pressure ratio and GT-TIT.

09 BIOMASS FUELS↗
DOE OSTI2016

Regulation of flow through a T-Shaped open cavity by temperature dependent P, PI, and PID controllers

P (proportional), PI (proportional-integral), and PID (proportional-integral-derivative) controllers are popular means of controlling industrial processes. Due to superior response, accuracy, and stable performance, PID controllers are mostly used in control systems. This paper presents a mathematical model and subsequent response analysis regarding regulation of flow in mixed convection through a T-shaped open cavity by temperature dependent controllers. The T-shaped cavity has cold top and hot bottom walls, while air is flowing through the inlet at surrounding temperature. The inflow is regulated by a controlled gate which operates according to the signal received from the controller. Values of proportional gain (k{sub p}), integral gain (k{sub i}), and derivative gain (k{sub d}) are varied to obtain the desired system response and to ensure a stable system with fastest response. At first, only P controller is used and eventually PI and finally PID control scheme is applied for controller tuning. Tuning of different controllers (P, PI, and PID) are carried out systematically based on the reference temperature which is continuously monitored at a certain location inside the cavity. It is found that PID controller performs better than P or PI controller.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Cryogenic rf test of the first SRF cavity etched in an rf Ar/Cl 2 plasma

An apparatus and a method for etching of the inner surfaces of superconducting radio frequency (SRF) accelerator cavities are described. The apparatus is based on the reactive ion etching performed in an Ar/Cl 2 cylindrical capacitive discharge with reversed asymmetry. To test the effect of the plasma etching on the cavity rf performance, a 1497 MHz single cell SRF cavity was used. The single cell cavity was mechanically polished and buffer chemically etched and then rf tested at cryogenic temperatures to provide a baseline characterization. The cavity’s inner wall was then exposed to the capacitive discharge in a mixture of Argon and Chlorine. The inner wall acted as the grounded electrode, while kept at elevated temperature. The processing was accomplished by axially moving the dc-biased, corrugated inner electrode and the gas flow inlet in a step-wise manner to establish a sequence of longitudinally segmented discharges. The cavity was then tested in a standard vertical test stand at cryogenic temperatures. The rf tests and surface condition results, including the electron field emission elimination, are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Estimating the cost of high temperature liquid metal based concentrated solar power

The present levelized cost of electricity from concentrated solar power is too high to directly compete with natural gas under current carbon emissions policies. An approximate 50% cost reduction is needed relative to current power tower technology based on molten nitrate salts, and one pathway to a major cost reduction is to operate the system at higher temperatures, enabling a more efficient heat engine. Here, we consider a future system that can operate at gas turbine inlet temperatures of ~1300–1500 °C by using liquid metals as heat transfer and storage fluids with a ceramic based piping infrastructure. In general, ceramics are more expensive than the current stainless steels, but they are less expensive than the nickel alloys that are proposed to be used in higher temperature chloride molten salt plants. Considering various tradeoffs, it was not clear a priori whether or not the potential gains in heat engine efficiency would be negated by increased material costs or how much net reduction in levelized cost might be possible. This study answers this question by first detailing a base case molten nitrate salt power tower plant with published cost data. Then, a future liquid metal version of a power tower is modeled using similar specifications as the liquid salt plant to determine if there are any obvious costs that might negate the efficiency gains associated with operating well above 1000 °C. The results of the analysis showed that although the receiver and several other sub-systems become more expensive, there is a net cost reduction in the range of 20%–30%, depending upon the heat engine efficiency.

14 SOLAR ENERGY↗
DOE OSTI2018

Magnetohydrodynamic pressure drop and flow balancing of liquid metal flow in a prototypic fusion blanket manifold

Understanding magnetohydrodynamic (MHD) phenomena associated with the flow of electrically conducting fluids in complex geometry ducts subject to a strong magnetic field is required to effectively design liquid metal (LM) blankets for fusion reactors. Specifically, accurately predicting the 3D MHD pressure drop and flow distribution is important. To explore these topics, we simulate a LM MHD flow through an electrically non-conducting prototypic manifold for a wide range of flow and geometry parameters using a 3D MHD solver, HyPerComp incompressible MHD solver for arbitrary geometry. The reference manifold geometry consists of a rectangular feeding duct which suddenly expands such that the duct thickness in the magnetic field direction abruptly increases by a factor r exp . Downstream of the sudden expansion, the LM is distributed into several parallel channels. As a first step in qualifying the flow, a magnitude of the curl of the induced Lorentz force was used to distinguish between inviscid, irrotational core flows and boundary and internal shear layers where inertia and/or viscous forces are important. Scaling laws have been obtained which characterize the 3D MHD pressure drop and flow balancing as a function of the flow parameters and the manifold geometry. Associated Hartmann and Reynolds numbers in the computations were ~10 3 and ~10 1 -10 3 , respectively, while r exp was varied from 4 to 12. An accurate model for the pressure drop was developed for the first time for inertial-electromagnetic and viscous-electromagnetic regimes based on 96 computed cases. Analysis reflects that flow balance can be improved by lengthening the distance between the manifold inlet and the entrances of the parallel channels by utilizing the effect of flow transitioning to a quasi-two-dimensional state in the expansion region of the manifold.

42 ENGINEERING↗
DOE OSTI2020

Sneezing and asymptomatic virus transmission

The novel coronavirus disease (COVID-19) spread pattern continues to show that geographical barriers alone cannot contain a virus. Asymptomatic carriers play a critical role in the nature of this virus quickly escalating into a global pandemic. Asymptomatic carriers may transmit the virus unintentionally through sporadic sneezing. A novel Computational Fluid Dynamics (CFD) approach has been proposed with a realistic modeling of a human sneeze achieved by the combination of state-of-the-art experimental and numerical methods. This modeling approach may be suitable for future engineering analyses aimed at reshaping public spaces and common areas, with the main objective to accurately predict the spread of aerosol and droplets that may contain pathogens. This study shows that the biomechanics of a human sneeze, including complex muscle contractions and relaxations, can be accurately modeled by the angular head motion and the dynamic pressure response during sneezing. These have been considered as the human factors and were implemented in the CFD simulation by imposing a momentum source term to the coupled Eulerian–Lagrangian momentum equations. The momentum source was modeled by the measured dynamic pressure response in conjunction with the angular head motion. This approach eliminated the need to create an ad hoc set of inlet boundary conditions. With this proposed technique, it is easier to add multiple fixed and/or moving sources of sneezes in complex computational domains. Additionally, extensive sensitivity analyses based on different environmental conditions were performed, and their impact was described in terms of potential virus spread.

42 ENGINEERING↗