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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

OC7 phase I: CFD investigation of viscous forces on rectangular members of semisubmersibles

In Phase I of the Offshore Code Comparison Collaboration 7 (OC7) project, we aim to address key questions related to the modeling of viscous hydrodynamic loads on floating platforms. Here, this paper presents results from a collaborative effort within Phase I of the OC7 project. We investigate viscous forces acting on the rectangular members of semisubmersible platforms using high-fidelity computational fluid dynamics (CFD) simulations. The parametric CFD analyses include two-and-a-half-dimensional (2.5D) simulations of pontoon sections of two different semisubmersible platform designs (the VolturnUS-S and the INO WINDMOOR) and full three-dimensional (3D) structure simulations of the VolturnUS-S platform. We extract both the added mass and drag coefficients that are typically used in engineering-level hydrodynamic models from the 2.5D forced oscillation simulations with various Keulegan-Carpenter numbers and compare them to the coefficients from the 3D forced oscillation simulations. We observe consistent variation of the coefficients along the pontoon legs due to 3D platform and free-surface effects. With the breadth of the simulations and component-level detailed analyses, this work establishes a useful database and several empirical formulas for selecting hydrodynamic coefficients when modeling semisubmersible platforms in engineering tools.

13 HYDRO ENERGY↗
DOE OSTI2025

Identification and Exploration of a Series of SARS-Cov-2 M Pro Cyano-Based Inhibitors Revealing Ortho-Substitution Effects within the P3 Biphenyl Group

Starting from a simple scaffold hopping exercise based on our previous exploration of cysteine protease inhibitors against legumain, compound 6a was identified as a starting point for the development of a SARS-CoV-2 main protease (M Pro ) inhibitor. Compound 6a displayed submicromolar biochemical potency in the ultrasensitive assay developed by Drag and coworkers. Through an iterative structure−activity relationship campaign, we discovered an unexpected improvement in both biochemical and cellular potency through the incorporation of an ortho substituent within the P3 benzamide. X-ray crystallography revealed that incorporation of the ortho substituent caused a subtle but important binding enhancement of the P1 glutamate group within the M Pro S1 pocket. While incorporation of the ortho substituent improved the potency, the off-target selectivity against a panel of cysteine proteases and cell activity remained suboptimal. Further scanning of the P2 core revealed that incorporation of the 3.1.0 proline could address these issues and afford compound 22e, a highly potent and cellularly active M Pro inhibitor.

COVID-19 infection↗
DOE OSTI2024

Shape effects on the local dynamics of suspensions of spheroidal particles

The effect of shape on the dynamics of suspensions of non-spherical heavy particles is examined by fully resolved numerical simulations of oblate and prolate spheroids, as well as spheres, for a density ratio of ten, volume fractions ranging from 0.5% to 5%, and Reynolds numbers between 20 and 30. The dynamics is determined both by the interactions of the particles with the fluid as well as by collisions, with the number and importance of collisions increasing with volume fractions. A single isolated oblate or prolate spheroid falling under gravity generally falls broadside on, for the governing parameters examined here, and at low-volume fractions, the majority of particles in a suspension fall that way. At higher-volume fractions, the orientation is more random. The slip velocity decreases as the volume fraction increases for all shapes, as expected, but the effect of the shape is much less than seen for a single particle. Furthermore, this seems to be due to two effects. For all volume fractions, the most deformed particles cluster more than spheres and less deformed particles, which increases their slip velocity. As the concentration increases, the increased particle interactions also causes more particles to fall short side-on, which reduces the frontal area and the resulting drag, increasing the slip velocity. This second effect is, of course, absent for spherical particles.

42 ENGINEERING↗
DOE OSTI2022

Photoinduced electric effects in various plasmonic materials

Photoinduced voltages associated with surface plasmon polariton excitations are studied both theoretically and experimentally in various plasmonic systems as the function of material, wavelength, and type of structure. Experimental photovoltage normalized to the absorbed power shows a general decrease upon an increase in the wavelength, enhancement in the nanostructured samples, and a strong variation in the magnitude as a function of the material, which are not in line with the theoretical predictions of the simple plasmonic pressure approach. Furthermore, the results can be used for clarification of the mechanisms and further development of an adequate theoretcial approach to the plasmon drag effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Heave Plate Hydrodynamic Coefficients for Floating Offshore Wind Turbines - A Compilation of Data

The National Renewable Energy Laboratory's OpenFAST software is utilized by academics and industry professionals alike to simulate offshore wind turbines. The software's modeling of hydrodynamic loads on heave plates attached to these structures relies on user-specified hydrodynamic coefficients. To guide the proper selection of these coefficients and potentially develop a new functionality within OpenFAST that automatically prescribes and/or adjusts the heave-plate hydrodynamic coefficients, we review past literature to examine the dependence of the added mass, damping, and drag coefficients on various relevant nondimensional parameters, including the Keulegan-Carpenter number, the frequency parameter, and the plate thickness ratio. Existing data in the literature show strong dependence of the hydrodynamic coefficients on the Keulegan-Carpenter number. We observe consistent trends across a range of different plate geometry, plate porosity, and flow conditions. Secondary dependence of the coefficients on the frequency parameter and plate thickness ratio is also present.

added mass↗
DOE OSTI2019

Thermoelectric Mechanism of Field Emission from Carbon Nanostructures

A model describing peculiarities of field emission from carbon nanomaterials is considered. The model is based on inclusion by drag of electrons by ballistic phonons in the temperature gradient range in the emission center. The model does not require any additional assumptions concerning a special energy structure of the emission center. Quantitative estimates of the thermopower coefficient obtained based on the emission model are in good agreement with experimental results.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

TEAMER: Pitching Foil Crossflow Turbine Efficiency Data

This dataset documents the efficiency testing of a pitching foil crossflow turbine, conducted at the University of New Hampshire's (UNH) Chase Ocean Engineering Laboratory tow tank facility. The tests explored various pitch phases and amplitudes, ranging from 0 to 18 degrees, across different flow speeds and turbine RPMs. Specifically, testing was performed at pitch amplitudes of 0,3,6,9,12,15 and 18 degrees. The results indicate that turbine efficiency improves with increased pitch amplitude, reaching optimal performance at 12 degrees. Modifications were made to the test frame by UNH to enhance the stiffness of the support structure. The testing specifically mapped the efficiency of a single quadrant of the Ocean Renewable Power Company (ORPC) Autonomous Turbine Generator Unit (ATGU), covering the full range of allowable pitching amplitudes and phases. The dataset provides both raw and processed data, including drag and torque measurements, and contains Python scripts used for data processing and visualization. This research was supported by funding from TEAMER RFTS 1 (Request for Technical Support).

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

TEAMER: MADWEC Techno-Economic Analysis

The objective of this project was for the facility to conduct a techno-economic assessment (TEA) of the Maximal Asymmetric Drag Wave Energy Converter (MADWEC), developed by the University of Massachusetts Dartmouth (UMass Dartmouth). MADWEC is used for powering remote monitoring and Autonomous Underwater Vehicle (AUV) charging systems compared to other existing power supply options. The assessment estimates capital expenditures (CapEx), operational expenditures (OpEx), and power performance for 18 scenarios with the purpose of identifying key cost drivers, comparing total system cost, and comparing the power performance of the power supply options in terms of required installed capacity and estimated theoretical annual energy performance. The 18 assessed scenarios include two end-uses: 1) AUV charging and 2) offshore remote monitoring); three power sources: 1) MADWEC), 2) photovoltaic (PV) solar buoy, 3) and traditional battery swapping); and three locations; 1) nearshore, 2) far-offshore, and 3) high-latitude). In addition, other project goals included developing high level installation, operation, and maintenance plans for each scenario. The techno-economic model, created in Microsoft Excel, estimates CapEx, OpEx, and the power performance of each power supply source. The model has a dynamic format that allows custom inputs to accommodate future changes to the systems being assessed. This is a TEA for the MADWEC project, TEAMER RFTS 7 (request for technical support) program.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

In-Situ Pipeline Coatings for Methane Emissions Mitigation and Quantification from Natural Gas Pipelines

Addressing the current health of the nation’s existing 3 million miles of pipeline infrastructure is key to preventing further climate change. In 2020, natural gas production exceeded 34 trillion cubic feet (Tcf). Roughly 75% of natural gas consists of methane (CH 4 ), which is up to 25 times more powerful than carbon dioxide (CO 2 ) at trapping heat within the atmosphere over a 100-year period, and studies from the Environmental Defense Fund (EDF) estimate approximately 2% of all the natural gas produced will be lost during normal operations due to unaddressed leaks. This does not even consider the risks of major disaster due to pipeline failure, or the losses and extra fuel costs incurred due to corrosion and scale deposits in under-maintained pipelines. The objective of the proposed research is to demonstrate the protection capabilities and economic benefits of Oceanit’s internal pipe surface treatment, known as DragX™. DragX™ is a chemically resistant, water-and-oil repellent nanocomposite system that can be readily applied in-situ on natural gas transmission and distribution pipelines with a minimum of surface preparation. This makes it an ideal candidate for in-place retrofitting and refurbishment of existing pipelines without the need for expensive extraction and replacement. DragX™ is also able to significantly reduce the surface roughness, and subsequently, the frictional drag forces within a pipeline, improving throughput, decreasing energy costs of pressurization and pumping, and allowing for longer pipeline operation without interruption, reducing the methane emitted during pipe isolation and venting. As part of this project, Oceanit has utilized the Department of Energy’s support to fully develop, de-risk and prove the DragX™ core technology is both economically viable and commercially desirable to pipeline operators and energy companies alike. DragX™ material properties were optimized in this effort both for ease of applicability, to provide value in certain key parameters, and was demonstrated on pilot applications exceeding 2 miles in length. Beyond the already field demonstrated applications, this innovative nanocomposite surface treatment has the potential to be the backbone for CO 2 and Hydrogen transporting pipeline infrastructure. The learnings from this project could accelerate the deployment of surface treatment technologies related to the energy transition infrastructure, thus benefitting the clean energy initiatives in the United States and all around the world.

03 NATURAL GAS↗
DOE OSTI2024

Heave-Plate Hydrodynamic Coefficients for Floating Offshore Wind Turbines - A Compilation of Data: Preprint

The National Renewable Energy Laboratory's OpenFAST software is utilized by academics and industry professionals alike to simulate offshore wind turbines. The software's modeling of hydrodynamic loads on heave plates attached to these structures relies on user specified hydrodynamic coefficients. To guide the proper selection of these coefficients and potentially develop a new functionality within OpenFAST that automatically prescribes and/or adjust the heave-plate hydrodynamic coefficients, this paper reviews past literature to examine the dependence of the added mass, damping, and drag coefficients on various relevant non-dimensional parameters, including the Keulegan-Carpenter number, the frequency parameter, and the plate thickness ratio. Existing data in the literature show strong dependence of the hydrodynamic coefficients on the Keulegan-Carpenter number. Consistent trends are observed across a range of different plate geometry, plate porosity, and flow conditions. Secondary dependence of the coefficients on the frequency parameter and plate thickness ratio is also present.

added mass↗
DOE OSTI2020

Anisotropic Optical and Frictional Properties of Langmuir–Blodgett Film Consisting of Uniaxially-Aligned Rod-Shaped Cellulose Nanocrystals

Langmuir–Blodgett (LB) film deposition gives an opportunity to control the packing density and orientation of anisotropic nanoparticles at a monolayer level, allowing accurate characterization of their anisotropic material properties. Additionally, the uniaxial deposition of rod-shaped cellulose nanocrystals (CNCs) over a macroscopically large area is achieved by aligning the long axis of CNCs on the LB trough with the direction of the maximum drag force within the meniscus during the vertical pulling of the substrate from the LB trough. On the uniaxially-aligned LB films, anisotropic linear and non-linear optical properties of CNCs are obtained using Mueller matrix spectroscopy and sum frequency generation spectroscopy, respectively, and explained with time-dependent density functional theory calculations. Also, the frictional anisotropy of the LB film is measured using atomic force microscopy and explained theoretically. The findings of this study will be valuable for preparation of anisotropic nanoparticle thin films with uniform arrangements and utilization of their anisotropic material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Wireless Frequency‐Multiplexed Acoustic Array‐Based Acoustofluidics

Abstract Acoustofluidics has shown great potential in enabling on‐chip technologies for driving liquid flows and manipulating particles and cells for engineering, chemical, and biomedical applications. To introduce on‐demand liquid sample processing and micro/nano‐object manipulation functions to wearable and embeddable electronics, wireless acoustofluidic chips are highly desired. This paper presents wireless acoustofluidic chips to generate acoustic waves carrying sufficient energy and achieve key acoustofluidic functions, including arranging particles and cells, generating fluid streaming, and enriching in‐droplet particles. To enable these functions, the wireless acoustofluidic chips leverage mechanisms, including inductive coupling‐based wireless power transfer (WPT), frequency multiplexing‐based control of multiple acoustic waves, and the resultant acoustic radiation and drag forces. For validation, the wirelessly generated acoustic waves are measured using laser vibrometry when different materials (e.g., bone, tissue, and hand) are inserted between the WPT transmitter and receiver. Moreover, the wireless acoustofluidic chips successfully arrange nanoparticles into different patterns, align cells into parallel pearl chains, generate streaming, and enrich in‐droplet microparticles. This research is anticipated to facilitate the development of embeddable wireless on‐chip flow generators, wearable sensors with liquid sample processing functions, and implantable devices with flow generation and acoustic stimulation abilities for engineering, veterinary, and biomedical applications.

Li, Jiali↗
DOE OSTI2021

Experiment and computational fluid dynamics investigation of biochar elutriation in fluidized bed

Here, in fluidized bed biomass fast pyrolysis, the biomass is converted to biochar and elutriated. The elutriation rate is a key parameter in reactor designs and operations. This research presents a video-based continuous measurement of biochar elutriation rate in a fluidized bed with sands and biomass as bed materials. The fluidized bed is simulated with the Computational Fluid Dynamics - Coarse-Grained Discrete Element Method (CFD-CGDEM) in MFiX. The fluidization behavior of non-spherical sands can be more accurately captured when a rolling friction model is used. The predicted elutriation rate is close to the experimental measurement when the particle size distributions are considered and the filtered drag with a shape correction is used. These results validated the accuracy of the MFiX based CFD framework for the prediction of biochar elutriations in the fluidized bed biomass fast pyrolysis reactor.

09 BIOMASS FUELS↗
DOE OSTI2020

Modelling of nanometer scale dust grains in tokamak

Dust poses a serious threat to tokamak operation and safety. It is important to study the behaviour of dust grains under tokamak's discharge conditions, which depends heavily on their size and charge. Existing simulations mainly address issues on dust grains with radii larger than 1 μm, in which case, the drift effect due to electromagnetic fields can be safely ignored. For nanometer scale dust grains, however, the drift effect becomes significant and a new model based on guiding-centre system needs to be established. In this work, the NDS has been done under BOUT++ framework. The simulation contains two parts. Part one, NDS evaluates the charging and ablation processes of the dust grains. In the second part, the guiding-centre orbits of dust particles are tracked in tokamak plasmas, whose parameters are obtained from BOUT++, a highly desirable C++ code package for performing parallel plasma fluid simulations with an arbitrary number of equations in 3D curvilinear coordinates. The orbit of nanodust dynamics is described by guiding centre equations for simplicity, and these equations are numerically solved by conventional fourth-order Runge Kutta method. Simulations provide results such as trajectories and evolutions of dust particles with different sizes and velocities for different tokamak geometries. Results show tungsten dust grains with a radius of a few nanometers launched from outer midplane will oscillate before totally ablated in C-Mod. The oscillation in this case is driven by the ion drag force. Larger Nanodust with a radius of 100 nm, on the contrary, cannot be completely constrained by the electromagnetic field. In conclusion, the high plasma temperature and density in the seperatrix region causes severe dust ablation, resulting in total ablation within several ms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Designing Spin‐Crossover Systems to Enhance Thermopower and Thermoelectric Figure‐of‐Merit in Paramagnetic Materials

Thermoelectric materials, capable of converting temperature gradients into electrical power, have been traditionally limited by a trade‐off between thermopower and electrical conductivity. This study introduces a novel, broadly applicable approach that enhances both the spin‐driven thermopower and the thermoelectric figure‐of‐merit (zT) without compromising electrical conductivity, using temperature‐driven spin crossover. Our approach, supported by both theoretical and experimental evidence, is demonstrated through a case study of chromium doped‐manganese telluride, but is not confined to this material and can be extended to other magnetic materials. By introducing dopants to create a high crystal field and exploiting the entropy changes associated with temperature‐driven spin crossover, we achieved a significant increase in thermopower, by approximately 136 μV K −1 , representing more than a 200% enhancement at elevated temperatures within the paramagnetic domain. Our exploration of the bipolar semiconducting nature of these materials reveals that suppressing bipolar magnon/paramagnon‐drag thermopower is key to understanding and utilizing spin crossover‐driven thermopower. These findings, validated by inelastic neutron scattering, X‐ray photoemission spectroscopy, thermal transport, and energy conversion measurements, shed light on crucial material design parameters. We provide a comprehensive framework that analyzes the interplay between spin entropy, hopping transport, and magnon/paramagnon lifetimes, paving the way for the development of high‐performance spin‐driven thermoelectric materials.

magnons↗
DOE OSTI2019

Simulating bubble dynamics in a buoyant system

Summary Multiphase flows are critical components of many physical systems; however, numerical models of multiphase flows with large parameter gradients can be challenging. Here, two different numerical methods, volume of fluid (VOF) and smoothed particle hydrodynamics (SPH), are used to model the buoyant rise of isolated gas bubbles through quiescent fluids for a range of Bond and Reynolds numbers. The VOF is an Eulerian grid–based method, whereas the SPH is Lagrangian and mesh free. Each method has unique strengths and weaknesses, and a comparison of the two approaches as applied to multiphase phenomena has not previously been performed. The VOF and SPH simulations are compared, verified, and validated. Results using two‐dimensional VOF and SPH simulations are similar to each other and are able to reproduce numerical benchmarks and experimental results for sufficiently large Morton and Reynolds numbers. It is also shown that at low Reynolds numbers, the two methods, SPH and VOF, diverge in the transient regime of the bubble rise. Regimes that require simulations capable of representing three‐dimensional drag are identified as well as regimes in which results from VOF and SPH diverge.

Arai, Erin↗
DOE OSTI2023

A high‐order discontinuous Galerkin approach for physics‐based thermospheric modeling

Abstract The accurate prediction of aerodynamic drag on satellites orbiting in the upper atmosphere is critical to the operational success of modern space technologies, such as satellite‐based communication or navigation systems, which have become increasingly popular in the last few years due to the deployment of constellations of satellites in low‐Earth orbit. As a result, physics‐based models of the ionosphere and thermosphere have emerged as a necessary tool for the prediction of atmospheric outputs under highly variable space weather conditions. This paper proposes a high‐fidelity approach for physics‐based space weather modeling based on the solution of the Navier–Stokes equations using a high‐order discontinuous Galerkin method, combined with a matrix‐free strategy suitable for high‐performance computing on GPU architectures. The approach consists of a thermospheric model that describes a chemically frozen neutral atmosphere in nonhydrostatic equilibrium driven by the external excitation of the Sun. A novel set of variables is considered to treat the low densities present in the upper atmosphere and to accommodate the wide range of scales present in the problem. At the same time, and unlike most existing approaches, radial and angular directions are treated in a nonsegregated approach. The study presents a set of numerical examples that demonstrate the accuracy of the approximation and validate the current approach against observational data along a satellite orbit, including estimates of established empirical and physics‐based models of the ionosphere‐thermosphere system. Finally, a one‐dimensional radial derivation of the physics‐based model is presented and utilized for conducting a parametric study of the main thermal quantities under various solar conditions.

Engineering↗
DOE OSTI2023

Ultrasound Manipulation and Extrusion of Active Nanorods

Abstract Synthetic self‐propelled nano and microparticles have a growing appeal for targeted drug delivery, collective functionality, and manipulation at the nanoscale. However, it is challenging to control their positions and orientations under confinement, e.g., in microchannels, nozzles, and microcapillaries. This study reports on the synergistic effect of acoustic and flow‐induced focusing in microfluidic nozzles. In a microchannel with a nozzle, the balance between the acoustophoretic forces and the fluid drag due to streaming flows generated by the acoustic field controls the microparticle's dynamics. This study manipulates the positions and orientations of dispersed particles and dense clusters inside the channel at a fixed frequency by tuning the acoustic intensity. The main findings are: first, this study successfully manipulates the positions and orientations of individual particles and dense clusters inside the channel at a fixed frequency by tuning the acoustic intensity. Second, when an external flow is applied, the acoustic field separates and selectively extrudes shape‐anisotropic passive particles and self‐propelled active nanorods. Finally, the observed phenomena are explained by multiphysics finite‐element modeling. The results shed light on the control and extrusion of active particles in confined geometries and enable applications for acoustic cargo (e.g., drug) delivery, particle injection, and additive manufacturing via printed self‐propelled active particles.

36 MATERIALS SCIENCE↗