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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 559 records · Page 31

A spectral-Lagrangian Boltzmann solver for a multi-energy level gas

In this paper a spectral-Lagrangian method is proposed for the full, non-linear Boltzmann equation for a multi-energy level gas typical of a hypersonic re-entry flow. Internal energy levels are treated as separate species and inelastic collisions (leading to internal energy excitation and relaxation) are accounted for. The formulation developed can also be used for the case of a gas mixture made of monatomic gases without internal energy (where only elastic collisions occur). The advantage of the spectral-Lagrangian method lies in the generality of the algorithm in use for the evaluation of the elastic and inelastic collision operators, as well as the conservation of mass, momentum and energy during collisions. The latter is realized through the solution of constrained optimization problems. The computational procedure is based on the Fourier transform of the partial elastic and inelastic collision operators and exploits the fact that these can be written as weighted convolutions in Fourier space with no restriction on the cross-section model. The feasibility of the proposed approach is demonstrated through numerical examples for both space homogeneous and in-homogeneous problems. Computational results are compared with those obtained by means of the DSMC method in order to assess the accuracy of the proposed spectral-Lagrangian method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An attention-based neural ordinary differential equation framework for modeling inelastic processes

To preserve strictly conservative behavior as well as model the variety of dissipative behavior displayed by solid materials, we propose a significant enhancement to the internal state variable-neural ordinary differential equation (ISV-NODE) framework. In this data-driven, physics-constrained modeling framework internal states are inferred rather than prescribed. The ISV-NODE consists of: (a) a stress model dependent on observable deformation and inferred internal state, and (b) a model of the evolution of the internal states. The enhancements to ISV-NODE proposed in this work are multifold: (a) a partially input convex neural network stress potential provides polyconvexity in terms of observed strain while leaving the inferred state unconstrained, and (b) an internal state flow model uses common latent features to inform novel attention-based gating and drives the flow of internal state only in dissipative regimes. We demonstrated that this architecture can accurately model dissipative and conservative behavior across an isotropic, isothermal elastic-viscoelastic-elastoplastic spectrum with three exemplars, while maintaining fundamental principles by design.

97 MATHEMATICS AND COMPUTING↗

Wire-coil insert optimization for high-heat-load/flux synchrotron components

Many synchrotron components require high levels of internal-flow, forced-convection heat transfer to minimize surface temperatures, thermal gradients, and thermally induced stress on high-power beam-interacting surfaces. Wire-coil inserts, physically similar to a common spring, are mechanically fitted inside of component cooling passages to optimize heat transfer performance. They are routinely used in Advanced Photon Source (APS) front end and beamline high-heat-load/flux components to significantly enhance convection heat transfer-up to 400% compared to plain open passages. This has the additional benefit of greatly reducing coolant flow requirements for these components. Using several cooling passage sizes, five different wire sizes, and a range of pitch values, an experimental investigation conducted at the APS has determined the average heat transfer coefficient and resulting pressure loss as a function of water flow rate for 65 different wire-coil inserts. Data from this study have been non-dimensionalized and generalized to yield relationships that can be used to determine the heat transfer performance and resulting pressure loss for any given wire-coil insert that may be used at the APS. Through data reduction, the wire-coil insert characteristic dimensions have also been optimized to yield the highest heat transfer enhancement while minimizing the coolant flow requirements. These generalized expressions for wirecoil inserts will be presented, and they can be used by scientists and engineers during the component design process to evaluate achievable heat transfer performance and associated pressure loss, aiding in the establishment of optimized operating parameters and cooling passage flow distribution schemes.

43 PARTICLE ACCELERATORS↗

Effects of detailed geometry and real fluid thermodynamics on Spray G atomization

We present recent results toward the quantification of spray characteristics at engine conditions for an eight-hole counter-bored (stepped) GDI injector-Spray G in the ECN denomination. This computational study is characterized by two novel features: the detailed description of a real injector's internal surfaces via tomographic reconstruction; and a general equation of state that represents the thermodynamic properties of homogeneous liquid-vapor mixtures. The combined level-set moment-of-fluid approach, coupled to an embedded boundary formulation for moving solid walls, makes it possible to seamlessly connect the injector's internal flow to the spray. The Large Eddy Simulation (LES) discussed here presents evidence of partial hydraulic flipping and, during the closing transient, string cavitation. Results are validated by measurements of spray density profiles and droplet size distribution.

42 ENGINEERING↗

Study of non-isothermal liquid evaporation in synthetic micro-pore structures with hybrid lattice Boltzmann model

Non-isothermal liquid evaporation in micro-pore structures is studied experimentally and numerically using the lattice Boltzmann method. A hybrid thermal entropic multiple-relaxation-time multiphase lattice Boltzmann model (T-EMRT-MP LBM) is implemented and validated with experiments of droplet evaporation on a heated hydrophobic substrate. Then liquid evaporation is investigated in two specific pore structures, i.e. spiral-shaped and gradient-shaped micro-pillar cavities, referred to as SMS and GMS, respectively. In SMS, the liquid receding front follows the spiral pattern; while in GMS, the receding front moves layer by layer from the pillar rows with large pitch to the rows with small one. Both simulations agree well with experiments. Moreover, evaporative cooling effects in liquid and vapour are observed and explained with simulation results. Quantitatively, in both SMS and GMS, the change of liquid mass with time coincides with experimental measurements. The evaporation rate generally decreases slightly with time mainly because of the reduction of liquid–vapour interface. Isolated liquid films in SMS increase the evaporation rate temporarily resulting in local peaks in evaporation rate. Reynolds and capillary numbers show that the liquid internal flow is laminar and that the capillary forces are dominant resulting in menisci pinned to the pillars. Similar Péclet number is found in simulations and experiments, indicating a diffusive type of heat, liquid and vapour transport. Our numerical and experimental studies indicate a method for controlling liquid evaporation paths in micro-pore structures and maintaining high evaporation rate by specific geometry designs.

36 MATERIALS SCIENCE↗

Hollow Fibers Structured Packings in Olefin/Paraffin Distillation: Apparatus Scale-Up and Long-Term Stability

Following the conceptual demonstration of high separation efficiency and column capacity obtained in olefin/paraffin distillation using hollow fiber structured packings (HFSPs) in a bench scale (J. Membr. Sci.2006, 2007, and 2010), we scaled-up this process with a 10-fold increase in the internal flow rate and a 3-fold increase in the module length. We confirmed that the HFSPs technology gives high separation efficiency and column capacity in iso-/n-butane distillation for 18 months. We systematically investigated the effects of packing density, concentration of light component, reflux ratio, and module age on the separation efficiency and operating stability. The comprehensive characterizations using scanning electron microscopy (SEM), Brunauer–Emmett–Teller (BET), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and dynamic mechanical analysis (DMA) were carried out to probe the changes in the morphological, thermal, and mechanical properties of polypropylene (PP) hollow fibers over the aging process. Our results suggest that after a long-term exposure to light hydrocarbon environments at ≤70 °C the morphological and mechanical properties of the PP polymer do not degrade significantly in a propane/propylene and iso-/n-butane environment.

36 MATERIALS SCIENCE↗

Microfluidic pumping through miniaturized channels driven by ultra-high frequency surface acoustic waves

Surface acoustic waves (SAWs) are an effective means to pump fluids through microchannel arrays within fully portable systems. The SAW-driven acoustic counterflow pumping process relies on a cascade phenomenon consisting of SAW transmission through the microchannel, SAW-driven fluid atomization, and subsequent coalescence. Here, we investigate miniaturization of device design, and study both SAW transmission through microchannels and the onset of SAW-driven atomization up to the ultra-high-frequency regime. Within the frequency range from 47.8 MHz to 754 MHz, we show that the acoustic power required to initiate SAW atomization remains constant, while transmission through microchannels is most effective when the channel widths w ≳ 10 λ, where λ is the SAW wavelength. By exploiting the enhanced SAW transmission through narrower channels at ultra-high frequencies, we discuss the relevant frequency-dependent length scales and demonstrate the scaling down of internal flow patterns and discuss their impact on device miniaturization strategies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Numerical simulation of losses along a natural circulation helium loop

A natural circulation helium loop appears to be a perspective passive method of a nuclear reactor cooling. When designing this device, it is important to analyze the mechanism of an internal flow. The flow of helium in the loop is set in motion due to a difference of hydrostatic pressures between cold and hot branch. Steady flow at a requested flow rate occurs when the buoyancy force is adjusted to resistances against the flow. Considering the fact that the buoyancy force is proportional to a difference of temperatures in both branches, it is important to estimate the losses correctly in the process of design. The paper deals with the calculation of losses in branches of the natural circulation helium loop by methods of CFD. The results of calculations are an important basis for the hydraulic design of both exchangers (heater and cooler). The analysis was carried out for the existing model of a helium loop of the height 10 m and nominal heat power 250 kW.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Convolutional Neural Network–Aided Temperature Field Reconstruction: An Innovative Method for Advanced Reactor Monitoring

In this study, the capabilities of a physics-informed convolutional neural network (CNN) for reconstructing the temperature field from a limited set of measurements taken at the boundaries of internal flows are demonstrated. Such an approach enables the development of less invasive monitoring methods for real-time plant diagnostics. As a test case, a Molten Salt Fast Reactor (MSFR) design was selected. This circulating fuel reactor has received interest from both scientific and industrial communities due to its intrinsic safety and sustainability. Molten salt flows in such reactors, however, can present highly localized temperature peaks that can induce significant thermal stresses onto the vessel walls. At these local maxima, the salt temperature may exceed a thousand kelvins, which makes a direct measurement challenging or even unfeasible. The proposed CNN algorithm allows one to detect indirectly such discontinuities through an accurate, albeit indirect, temperature measurement method during reactor operation. The datasets employed to train and test the machine learning models in the present work were generated with Nek5000, a computational fluid dynamics (CFD) code developed at Argonne National Laboratory. The CNN algorithm is trained with CFD results that span a set of MSFR operational power and flow ranges. Here, to demonstrate the efficacy of the algorithm, predictions are made for test cases contained within the training range but for which the CFD data were not used when training. Results demonstrate that the proposed technique properly characterizes temperature peaks and distributions within the domain for a broad range of scenarios.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

MACHINE LEARNING-ENABLED PREDICTION OF TRANSIENT INJECTION MAP IN AUTOMOTIVE INJECTORS WITH UNCERTAINTY QUANTIFICATION

Accurate prediction of injection profiles is a critical aspect of linking injector operation with engine performance and emissions. However, highly resolved injector simulations can take one to two weeks of wall-clock time, which is incompatible with engine design cycles with desired turnaround times of less than a day. Hence, it is important to reduce the time-to-solution of the internal flow simulations by several orders of magnitude to make it compatible with engine simulations. This work demonstrates a data-driven approach for tackling the computational overhead of injector simulations, whereby the transient injection profiles are emulated for a side-oriented, single-hole diesel injector using a Bayesian machine-learning framework. First, an interpretable Bayesian learning strategy was employed to understand the effect of design parameters on the total void fraction field. Then, autoencoders are utilized for efficient dimensionality reduction of the flowfields. Gaussian process models are finally used to predict the spatiotemporal void fraction field at the injector exit for unknown operating conditions. The Gaussian process models produce principled uncertainty estimates associated with the emulated flowfields, which provide the engine designer with valuable information of where the data-driven predictions can be trusted in the design space. The Bayesian flowfield predictions are compared with the corresponding predictions from a deep neural network, which has been transfer-learned from static needle simulations from a previous work by the authors. The emulation framework can predict the void fraction field at the exit of the orifice within a few seconds, thus achieving a speed-up factor of up to 38 x 10(6) over the traditional simulation-based approach of generating transient injection maps.

machine learning↗

Simulation of primary fuel atomization processes at subcritical pressures.

This report documents results from an LDRD project for the first-principles simulation of the early stages of spray formation (primary atomization). The first part describes a Cartesian embedded-wall method for the calculation of flow internal to a real injector in a fully coupled primary calculation. The second part describes the extension to an all-velocity formulation by introducing a momentum-conservative semi-Lagrangian advection and by adding a compressible term in the Poisson s equation. Accompanying the description of the new algorithms are verification tests for simple two-phase problems in the presence of a solid interface; a validation study for a scaled-up multi-hole Diesel injector; and demonstration calculations for the closing and opening transients of a single-hole injector and for the high-pressure injection of liquid fuel at supersonic velocity.

Arienti, Marco↗

Additively Manufactured Intensified Device for Enhanced Carbon Capture

Additively manufactured packed bed devices for the enhancement of carbon capture were successfully developed, built, characterized, and tested in this project. The objective was to demonstrate that in situ cooling of chemical absorption could have beneficial effects on the absorption rate of CO 2 . This was achieved in two stages, divided between FY 2018 and FY 2019. First, the feasibility of printing conventional packing elements was investigated, and the core hydrodynamic metrics were experimentally validated. The data obtained in those studies informed the operating conditions set for the next stage, which was to validate the efficacy of in situ cooling provided by an additively manufactured packed bed element, referred to as the intensified device. The intensified device is designed to enable heat exchange between an internally flowing coolant and the gas-liquid system flowing on the external corrugated surface of the packing. Polymer and metal were both considered as the base materials for the device, and comparative studies on hydrodynamic properties were performed. These considerations, as well as thermal properties and leak tests led to aluminum being chosen as the base material for experimental validation of capture enhancement. The experimental validation was first conducted under non-reactive conditions, and after establishing heat-exchange capabilities, was subsequently conducted under reactive conditions. These studies demonstrated that in situ cooling can benefit absorption given the appropriate operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

UHT-CAMANCHE: Ultra-High Temperature Ceramic Additively Manufactured Compact Heat Exchangers

The conceptual basis for this project is the convergence of advanced ultra-high temperature ceramic materials and additive manufacturing technologies to produce compact ceramic heat exchangers with complex internal flow path geometries. Task areas were broadly divided into materials and manufacturing development, heat exchanger design, component testing, and techno-economic analysis. Technical challenges included the design and commissioning of new test facilities, improving feature resolution and deposition rate of ceramic additive manufacturing techniques, establishing process-structure-property relationships in additively manufactured ultra-high temperature ceramics, and assessing high temperature materials compatibility in CO 2 environments. The primary candidate material evaluated in this work is a composite comprising zirconium diboride (ZrB2) with 30 vol. % silicon carbide (SiC) which was selected based on its desirable combination of high temperature mechanical properties, high thermal and electrical conductivities, and oxidation resistance. High solids loaded ZrB2-SiC pastes suitable for extrusion-based additive manufacturing were developed for the first time as part of this work. Materials compatibility studies indicate this material oxidizes in CO 2 to form a protective borosilicate scale which transforms to pure silica above 1000°C. Parts made by additive manufacturing displayed enlarged grain sizes produced by pressureless sintering as compared to hot-press sintering. Increases in microstructural coarseness have outsized effect on oxidation performance up to 1400°C due to incomplete oxidation of coarse large diameter SiC particles resulting in lower amounts of silica that apparently inhibit protective scale formation. Additive manufacturing as a forming technique did not appear to significantly affect thermal conductivity, hardness, or elastic modulus, though flexural strength was reduced by half or more as compared to traditionally hot-pressed materials. This effect was attributed to the presence of strength-limiting flaws (ca. 40 microns in size) originating from extrudate inhomogeneities that could potentially be eliminated with further process improvements. Attempts to attain economies of scale for production of multi-kilowatt scale heat exchangers by ceramic additive manufacturing proved difficult. Lack of automation and a modest extrusion rate while retaining fine feature resolution made the overall process labor intensive and limited experimental throughput. A number of full-scale components were taken through post-process heat treatments including drying, binder burnout, and sintering; however, none survived without significant flaws or cracks. Therefore, no operational data from a newly installed heat exchanger test loop were able to be obtained during the performance period. Continued research and development is recommended to improve economic feasibility of ceramic additive manufacturing by standardizing the use of advanced sensors, artificial intelligence, and automation tools to reduce associated labor costs and accelerate production rates. The materials and manufacturing techniques demonstrated in this work are likely to find applications in defense and energy applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Development of an optically accessible continuous wave Rotating Detonation Engine

We have developed and characterized a race track RDE, which is an optically accessible RDE that combines a linearized detonation channel with a cyclic geometric shape that allows for the wave to be self sustaining and more representative of a typical RDE in operation. The Race Track RDE was designed for and operates with a two wave detonation system, traveling through an approximately meter long circuit whose internal flow geometry is that of a companion experimental six inch round RDE. In addition it behaves similarly to the six inch design in various bulk performance characteristics, including plenum pressure, CTAP profiles, and wave speed.

Chacon, Fabian↗

Dynamic characteristics of a variable-mass flexible missile

The general motion of a variable mass flexible missile with internal flow and aerodynamic forces is considered. The resulting formulation comprises six ordinary differential equations for rigid body motion and three partial differential equations for elastic motion. The simultaneous differential equations are nonlinear and possess time-dependent coefficients. The differential equations are solved by a semi-analytical method leading to a set of purely ordinary differential equations which are then solved numerically. A computer program was developed for the numerical solution and results are presented for a given set of initial conditions.

Meirovitch, L.↗