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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Cohesive instability in elastomers: insights from a crosslinked Van der Waals fluid model

Abstract The resistance to volumetric deformations displayed by polymer networks is largely due to secondary and tertiary interactions between neighboring polymer chains. These interactions are both entropic and enthalpic in nature but are fundamentally different from the entropic forces that resist shearing in these networks. In this paper, we introduce a new depiction of elastomers as a crosslinked Van der Waals fluid. Starting from first principles, we develop constitutive equations that are implemented in a continuum model as well as a discrete network model. Our models predict that the failure of polymer networks may be driven by an instability in the underlying polymer bulk ‘fluid’ or by the breaking of polymer chains, depending on the loading path taken. The results of this study indicate that material failure in elastomers exposed to a purely triaxial state, such as in a poker chip experiment, may be driven by an entirely different mode of instability than those deformed in pure shear, such as in a uniaxial tension experiment.

Lamont, Samuel C.↗
DOE OSTI2018

Reaction Kinetics of CFRP Degradation in Supercritical Fluids

The reaction kinetics models of carbon fiber-reinforced plastic (CFRP) degradation in supercritical fluids were established by analyzing the chain scission reaction of a cross-linked network in CFRP. The effect of reaction time and temperature on the residual resin content from the recycled carbon fiber was investigated. The reaction order of CFRP degradation was estimated, and the reaction rate constant was calculated at different reaction temperatures. Reaction kinetics equations of CFRP degradation in different supercritical fluids were also proposed. Results indicated that CFRP degradation was mainly due to the scission of the C–C, C–O, and –O– bonds in the linear chain segment and of the C–N bond in the cross-linked segment of an epoxy resin cure system. The reaction order was 2 or 2.5. The monofilament tensile strength of recycled carbon fiber in supercritical n-butanol and n-propanol, which had higher degradation reaction rates, decreased by about 2% compared with that of the original carbon fiber.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Pressure-Enhanced Transitional Transport of Electronic Fluids in EuFe{sub 2}As{sub 2}

We demonstrate the effect of very high pressure on the pressure-enhanced transitional transport of electronic fluids in EuFe{sub 2}As{sub 2} as well as the frictionless transport of many (condensed) electrons in EuFe{sub 2}As{sub 2} by using the verified absolute reaction approach which is borrowed from the quantum chemistry. Our results demonstrate that tuning of high pressure could enhance the onset temperature of transitional transport of electronic fluids in EuFe{sub 2}As{sub 2} to around 128 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Characterization of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@ SiO{sub 2} Core-Shell Structure Composite Magnetic Fluid by Microemulsion Method

Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@SiO{sub 2} composite magnetic fluids were prepared successfully by microemulsion method in this study. Fe{sub 3}O{sub 4} magnetic nanoparticles (Nps) were successfully converted to Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3} magnetic Nps by low-temperature low-vacuum oxidation method (LTLV oxidation method), and then coated with silica by the modified Stöber method. The core-shell structure composite magnetic Nps were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), vibrating sample magnetometer (VSM), and transmission electron microscopy (TEM). The results show that the size of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3} particles was about 13 nm and that of SiO{sub 2} coating was about 3 nm, and the saturation magnetization of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3} and Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@SiO{sub 2} Nps was 59.12 A m{sup 2}/kg and 35.84 A m{sup 2}/kg, respectively. And the saturation magnetization of Fe{sub 3}O{sub 4}/γ-Fe{sub 2}O{sub 3}@SiO{sub 2} magnetic fluid was 22.91 A m{sup 2}/kg.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

A Simple Kinetic Model for the Phase Transition of the van der Waals Fluid

A simple kinetic model, which is presumably minimum, for the phase transition of the van der Waals fluid is presented. In the model, intermolecular collisions for a dense gas has not been treated faithfully. Instead, the expected interactions as the non-ideal gas effect are confined in a self-consistent force term. Collision term plays just a role of thermal bath. Accordingly, it conserves neither momentum nor energy, even globally. It is demonstrated that (i) by a natural separation of the mean-field self-consistent potential, the potential for the non-ideal gas effect is determined from the equation of state for the van der Waals fluid, with the aid of the balance equation of momentum, (ii) a functional which monotonically decreases in time is identified by the H theorem and is found to have a close relation to the Helmholtz free energy in thermodynamics, and (iii) the Cahn–Hilliard type equation is obtained in the continuum limit of the present kinetic model. Numerical simulations based on the Cahn–Hilliard type equation are also performed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Computationally Efficient Multiscale Neural Networks Applied to Fluid Flow in Complex 3D Porous Media

Abstract The permeability of complex porous materials is of interest to many engineering disciplines. This quantity can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as the simulation domains become less porous or more heterogeneous. Semi-analytical models that rely on averaged structural properties (i.e., porosity and tortuosity) have been proposed, but these features only partly summarize the domain, resulting in limited applicability. On the other hand, data-driven machine learning approaches have shown great promise for building more general models by virtue of accounting for the spatial arrangement of the domains’ solid boundaries. However, prior approaches building on the convolutional neural network (ConvNet) literature concerning 2D image recognition problems do not scale well to the large 3D domains required to obtain a representative elementary volume (REV). As such, most prior work focused on homogeneous samples, where a small REV entails that the global nature of fluid flow could be mostly neglected, and accordingly, the memory bottleneck of addressing 3D domains with ConvNets was side-stepped. Therefore, important geometries such as fractures and vuggy domains could not be modeled properly. In this work, we address this limitation with a general multiscale deep learning model that is able to learn from porous media simulation data. By using a coupled set of neural networks that view the domain on different scales, we enable the evaluation of large ( $$>512^3$$ > 512 3 ) images in approximately one second on a single graphics processing unit. This model architecture opens up the possibility of modeling domain sizes that would not be feasible using traditional direct simulation tools on a desktop computer. We validate our method with a laminar fluid flow case using vuggy samples and fractures. As a result of viewing the entire domain at once, our model is able to perform accurate prediction on domains exhibiting a large degree of heterogeneity. We expect the methodology to be applicable to many other transport problems where complex geometries play a central role.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mathematical Investigation of Fluid Flow, Mass Transfer, and Slag-steel Interfacial Behavior in Gas-stirred Ladles

In this study, the Euler-Euler and Euler-Lagrange modeling approaches were applied to simulate the multiphase flow in the water model and gas-stirred ladle systems. Detailed comparisons of the computational and experimental results were performed to establish which approach is more accurate for predicting the gas-liquid multiphase flow phenomena. It was demonstrated that the Euler-Lagrange approach is more accurate than the Euler-Euler approach. The Euler-Lagrange approach was applied to study the effects of the free surface setup, injected bubble size, gas flow rate, and slag layer thickness on the slag-steel interaction and mass transfer behavior. Detailed discussions on the flat/non-flat free surface assumption were provided. Significant inaccuracies in the prediction of the surface fluid flow characteristics were found when the flat free surface was assumed. The variations in the main controlling parameters (bubble size, gas flow rate, and slag layer thickness) and their potential impact on the multiphase fluid flow and mass transfer characteristics (turbulent intensity, mass transfer rate, slag-steel interfacial area, flow patterns, etc.,) in gas-stirred ladles were quantitatively determined to ensure the proper increase in the ladle refining efficiency. It was revealed that by injecting finer bubbles as well as by properly increasing the gas flow rate and the slag layer thickness, the ladle refining efficiency can be enhanced significantly.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation on the Fluid Flow and Decarburization Process in the RH Process

In the current study, mathematical models were developed to predict the fluid flow and motion of gas bubbles in the RH degasser. The multiphase model volume of fluid was employed to simulate the free surface in the vacuum chamber, while injected argon bubbles were treated as discrete-phase particles and tracked using the discrete-phase model. The expansion of argon bubbles was considered. The variation of the liquid level in the vacuum chamber and the effect of the number of nozzles on the recirculation rate were discussed in detail. The optimal number of nozzles was 6. Furthermore, the decarburization process was simulated by considering three reaction sites: the free surface, inner sites of the liquid steel in the vacuum chamber, and the bubble surface. The carbon contents predicted by the decarburization model were well validated by the measured results in the literature. The effect of the gas flow rate on the decarburization process was also investigated. With the increasing gas flow rate, the carbon content gradually decreased, and then reached the steady state. The optimal gas flow rate was 2400 L/min, which was explained by the comparison of the decarburization rate constants. Meanwhile, the decarburization reaction was in a quick decarburization stage for the first 7 minutes, and for the next 13 minutes, the decarburization rate constant rapidly decreased.

42 ENGINEERING↗
DOE OSTI2018

An unsteady flow of magnetic nanoparticles as drug carrier suspended in micropolar fluid through a porous tapered arterial stenosis under non-uniform magnetic field and periodic body acceleration

A mathematical model has been developed for pulsatile flow of blood through a tapered arterial stenosis in a porous medium under the influence of non-uniform magnetic field and periodic body acceleration treating blood as micropolar fluid carrying iron oxide nanoparticles. The governing equations of the system are solved numerically using finite difference schemes. The effects of stenotic height, taper angle, micropolar parameters, magnetic field, porosity, pulsatility, and magnetic nanoparticles on the flow of blood are analysed, and the results are represented graphically. It is significant to note that the flow parameters such as wall shear stress and flow resistance increase with increase in stenotic height, tapering parameter, magnetic field, pulsatile Reynolds number, time period, particle concentration, and particle mass parameters. Wall shear stress decreases with the increasing values of coupling number and it shows opposite behaviour in the case of flow resistance. Also increase in Darcy number leads to decrease in wall shear stress and flow resistance. The significance of treating blood as micropolar fluid is that the rotation of particles is taken into account. Cardiovascular diseases occur mainly due to abnormal blood flow in the arteries. To normalize the blood flow in the arteries, analysis of parameters involved in the study is essential. Hence, the present study has various applications in biomedical sciences. The effects of nanoparticles on blood flow analysed in the study have significant applications in delivery of drugs for treating cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Effect of wettability alteration on long-term behavior of fluids in subsurface

Wettability is an important factor affecting fluid behavior in the subsurface, including oil, gas, and supercritical CO$_2$ in deep geological reservoirs. For example, CO$_2$ is generally assumed to behave as a non-wetting fluid, which favors safe storage. However, because of chemical heterogeneity of the reservoirs, mixed wettability conditions can exist. Furthermore, recent experiments suggest that with time, the wettability of super-critical CO$_2$ may change from non-wetting to partially-wetting due to changes in electrostatic interactions. These changes are caused by chemical reactions between dissolved CO$_2$ and its environment. To date, the effect of wettability alteration and mixed wettability on the long term fate of injected CO$_2$ has not well been studied. Here, we use the multiphase Pairwise Force Smoothed Particle Hydrodynamics (PF-SPH) Model to study complex pore-scale processes involved in geological CO$_2$ sequestration, including the effect of spatial and temporal wettability variations on long-term distribution of CO$_2$ in porous media. Results reveal that in the absence of dissolution of supercritical CO$_2$ and precipitation of carbonate minerals (mineral trapping), the amount of trapped supercritical CO$_2$ significantly decreases as the wettability of the porous media changes from brine-wet to partial-wet or CO$_2$-wet.

CO2 sequestration↗
DOE OSTI2019

A MUSCL-SCNI approach for meshfree modeling of shock waves in fluids

Here, a stable and nodally integrated meshfree formulation for modeling shock waves in fluids is developed. The reproducing kernel approximation is employed to discretize the conservation equations for compressible flow, and a flux vector splitting approach is applied to allow proper numerical treatments for the advection and pressure parts, respectively, based on the characteristics of each flux term. To capture the essential shock physics in fluids, including the Rankine–Hugoniot jump conditions and the entropy condition, local Riemann enrichment is introduced under the stabilized conforming nodal integration (SCNI) framework. Meanwhile, numerical instabilities associated with the advection flux are eliminated by adopting a modified upwind scheme. To further enhance accuracy, a MUSCL-type method is introduced in conjunction with an oscillation limiter to avoid Gibbs phenomenon and ensure monotonic piecewise linear reconstruction in the smooth region. The present meshfree formulation is free from tunable artificial parameters and is capable of capturing shock and rarefaction waves without over/undershoots. Finally, several numerical examples are analyzed to demonstrate the effectiveness of the proposed MUSCL-SCNI approach in meshfree modeling of complex shock phenomena, including shock diffraction, shock–vortex interaction, and high energy explosion processes.

42 ENGINEERING↗
DOE OSTI2014

Remedial Amendment Delivery near the Water Table Using Shear Thinning Fluids: Experiments and Numerical Simulations

The use of shear thinning fluids (STFs) containing xanthan is a potential enhancement for emplacing a solute amendment near the water table and within the capillary fringe. Most research to date related to STF behavior has involved saturated and confined conditions. A series of flow cell experiments were conducted to investigate STF emplacement in variable saturated homogeneous and layered heterogeneous systems. Besides flow visualization using dyes, amendment concentrations and pressure data were obtained at several locations. The experiments showed that injection of STFs considerably improved the subsurface distribution near the water table by mitigating preferential flow through higher permeability zones compared to no-polymer injections. The phosphate amendment migrated with the xanthan SFT without retardation. Despite the high viscosity of the STF, no excessive mounding or preferential flow were observed in the unsaturated zone. The STOMP simulator was able to predict the experimentally observed fluid displacement and amendment concentrations reasonably well. Cross flow between layers could be interpreted as the main mechanism to transport STFs into lower permeability layers based on the observed pressure gradient and concentration data in layers of differing hydraulic conductivity.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2025

Predicting multi-nodal in-nozzle particle interactions in high-viscosity fluid mediums for acoustophoretic direct-ink writing of line-patterned composites

Patterned functional materials offer improved properties (electrical, thermal, etc.) over their bulk counterparts in many applications, including energy storage, flexible electronics, and sensors. However, manufacturing approaches for patterning materials over large areas with features on the order of hundreds of microns or less are limited. Acoustophoresis, which uses acoustic forces to control particle arrangement in a fluid medium, is a pathway to address this challenge. This process is dependent on particle and fluid properties and enables patterning of a broad range of materials. Herein, a model with experimental validation is presented to demonstrate that acoustophoresis can be combined with direct-ink writing (DIW) to fabricate line patterns over large cm-scale areas. An in-nozzle particle interaction model was developed to investigate the impact of processing conditions on multi-nodal acoustophoretic DIW. The model predicts patterned line widths within a factor of two relative to experimental results for a high viscosity case study. Here, the model was used to investigate the impact of frequency, particle loading, particle radius, and acoustic pressure on line width and patterning time, providing critical feedback regarding the processing conditions suitable for a target application. Model results illustrate that frequency has the greatest impact on line patterns: increasing from 1 to 3 MHz resulted in a greater than 65% reduction in line width and a greater than 85% reduction in patterning time. Additionally, experiments were conducted with an alumina-epoxy ink and a ~21 cm 2 area pattern was rastered in ~5.5 minutes, demonstrating a path towards large-area line-patterned composite fabrication.

25 ENERGY STORAGE↗
DOE OSTI2022

Coupled Monte Carlo and thermal-fluid modeling of high temperature gas reactors using Cardinal

Cardinal is an open-source application that couples OpenMC Monte Carlo transport and NekRS computa-tional fluid dynamics to the Multiphysics Object-Oriented Simulation Environment (MOOSE), closing neutronics and thermal-fluid gaps in conducting high-resolution multiscale and multiphysics analyses of nuclear systems. Here, we provide an introduction to Cardinal's software design, data mapping, and multi -physics coupling strategy to highlight our approach to overcoming common challenges in multiphysics simulation. We then describe an application of Cardinal to prismatic High Temperature Gas Reactors (HTGRs) with various combinations of NekRS, OpenMC, BISON, and THM. A high-resolution coupling of NekRS, OpenMC, and BISON provides a reference solution at the unit cell level and shows excellent agree-ment with a lower-resolution coupling of THM, OpenMC, and BISON. A full core coupling of THM, OpenMC, and BISON resolving the three-dimensional conjugate heat transfer and sub-pin power distri-bution then provides detailed predictions of HTGR temperatures and the fission distribution.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Experimental evaluation of a prototype hybrid CPV/T system utilizing a nanoparticle fluid absorber at elevated temperatures

Novel approaches for solar energy conversion continue to garner interest as a potential thermal and electrical energy source. Additionally, the need for systems capable of producing thermal energy at temperatures up to 300 °C is growing as a means to provide process heat to industry and distributed generation for small communities. An approach that has seen recent increased interest is the hybrid concentrating photovoltaic/thermal collector that can co-produce electricity and heat energy above 100 °C. A technique for this is to use nanoparticles in the heat transfer fluid to spectrally filter off wavelengths poorly utilized by the photovoltaic component. Here, we have demonstrated the first on-sun operation of a nanoparticle based hybrid CPV/T solar collector at temperatures exceeding 100 °C using a combination of gold and indium tin oxide nanoparticles in Duratherm S flowing in the receiver, with an aperture area a full order of magnitude larger than other tests. At 14× concentration the system achieved a photovoltaic efficiency of 4% while achieving a peak thermal efficiency of 61% with an outlet temperature of the fluid of 110 °C.

14 SOLAR ENERGY↗
DOE OSTI2025

Operator learning for energy-efficient building ventilation control with computational fluid dynamics simulation of a real-world classroom

Energy-efficient ventilation control plays an important role in reducing building energy consumption while ensuring occupant health and comfort. While Computational Fluid Dynamics (CFD) simulations provide detailed and physically accurate representations of indoor airflow, their high computational cost limits their use in real-time building control. In this work, we present a neural operator learning framework that combines the physical accuracy of CFD with the computational efficiency of machine learning to enable building ventilation control with the high-fidelity fluid dynamics models. Our method jointly optimizes the airflow supply rates and vent angles to reduce energy use and adhere to air quality constraints. We train an ensemble of neural operator transformer models to learn the mapping from building control actions to airflow fields using high-resolution CFD data. This learned neural operator is then embedded in an optimization-based control framework for building ventilation control. Experimental results show that our approach achieves significant energy savings compared to maximum airflow rate control, rule-based control, as well as data-driven control methods using spatially averaged CO 2 prediction and deep learning–based reduced-order models, while consistently maintaining safe indoor air quality. These results highlight the practicality and scalability of our method in maintaining energy efficiency and indoor air quality in real-world buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Tuning the fluid wetting dynamics on gold microstructures using photoactive compounds

This work demonstrates how photoactive compounds can be used to tune the surface chemistry, surface free energy, and the wetting velocity of fluids on Spiropyran functionalized surfaces with different surface microstructures. Evidence of this photowetting effect is based on data showing: (1) the cyclic changes in the static, advancing, and receding contact angles $\theta$ CA for multiple UV$\rightleftarrows$vis photoswitching cycles with both smooth and microstructured surfaces and (2) the changes in the fluid wicking velocity (via UV$\rightleftarrows$vis photoswitching) on different Spiropyran functionalized hemiwicking surfaces. X-ray photoelectron spectroscopy is used to determine the efficiency of photoswitching caused by the quality of the Spiropyran functionalization. Reversible photoisomerization of Spiropyran generates a gradient in surface free energy, resulting in a similar change in contact angle ($\theta$ CA ) in the photoswitchable surfaces. In conclusion, by incorporating these changes into the Owens-Wendt and Van Oss surface energy models, the energy of smooth Au surfaces can also be predicted for both UV and visible light irradiations, where reversible contact angle variations of $\Delta$$\theta$ CA ≈ 5–10° are achieved with both water and water-ethanol mixtures due to the conversion of SP to merocyanine, which corresponds to a total free energy change of ~13% on the photoswitchable surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Involuntary swimming exercise in pregnant rats disturbs ERK1/2 signaling in embryonic neurons through increased cortisol in the amniotic fluid

Highlights: • Involuntary swimming exercise (SE) reduced the number of embryos implanted in the uterus. • SE caused a significant reduction in 11β-HSD level in the maternal placenta compared to that in the CTL group. • SE had considerably higher cortisol level in amniotic fluid (AF) of SE group compared to that in the CTL group. • The treatment of AF (SE group) reduced ERK1/2-mediated signaling pathway in the cortical neurons compared to that of CTL. • Cortisol exposure disturbs the phosphorylation of ERK1/2 in cortical neurons. Harmful maternal behaviors, such as drinking and smoking, negatively affect embryonic development. In contrast, regular maternal exercise is believed to be beneficial to the fetus. Although it is not surprising that voluntary physical activities are advantageous to fetal development, it remains unclear whether involuntary maternal exercise has similar effects. The constituents of the amniotic fluid (AF) inevitably reflect the maternal plasma. Therefore, it is speculated that exercise-induced changes in maternal plasma can influence fetal development through changes in AF composition. Therefore, we investigated the effect of AF on fetal neurodevelopment and changes in AF composition after involuntary swimming exercise (SE) in an animal model. We found that there was a severe reduction in the number of embryos implanted in the uterus of SE rats. Surprisingly, cortisol level (an inducible stress hormone) was significantly increased in AF from SE rats. In contrast, the growth factors NGF and VEGF were reduced in the AF from SE rats. In the cultured embryonic cortical neurons, the treatment of control (CTL) rat-derived AF significantly increased the phosphorylation of extracellular signal-regulated kinase 1/2 (ERK1/2)-mediated signaling that is essential for fetal neurodevelopment. However, the AF extracted from SE rats reversely suppressed the phosphorylation of ERK1/2-mediated signaling in cortical neurons compared to that in CTL rats. Indeed, the co-treatment with control AF and dexamethasone, a synthetic glucocorticoid, inhibited the phosphorylation of ERK1/2 in a dose-dependent manner. This finding suggests that the inhibition of ERK1/2 can be attributed to increased cortisol level in AF resulting from involuntary exercise. Therefore, involuntary maternal swimming increases cortisol level in AF, which ultimately hinders the ERK1/2 signaling pathway in embryonic neurons. These findings also suggest that involuntary maternal exercise can have undesirable effects on fetal neurodevelopment, which is potentially mediated by elevated AF cortisol level.

60 APPLIED LIFE SCIENCES↗