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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

Transient Heat Transfer in Zero Gravity Environment

The objective is to provide computer codes and/or correlations for application in the design of transient heat transfer systems. The mathematical models in the computer codes are being tested by experimental data obtained in the laboratory using optical techniques. The elimination of natural convection (buoyancy) in the experimental data obtained in zero-g (KC-135) facilitates the study of thermal expansion effects which is of interest in the development and testing of the mathematical models of the transient heat transfer. Initial flight in the KC 135 (June 1983) suggested some modifications to the experimental apparatus and the data acquisition technique (high speed video will replace high speed movies for recording optical records generated during the experiments). A series of KC-135 flights with this experiment on board are scheduled for summer/fall 1984. The acquisition of the aforementioned data using interferometry and beam deflection optical techniques is anticipated. The measurements provide time dependent temperature fields above a horizontal heater surface submerged in a static fluid (Freon 13). The heater surface is electrically heated for a time interval approximately 0.100 sec. during which the data are optically recorded.

Giarratano, P. G.↗

Calculated X-ray Intensities Using Monte Carlo Algorithms: A Comparison to Experimental EPMA Data

Monte Carlo (MC) modeling has been used extensively to simulate electron scattering and x-ray emission from complex geometries. Here are presented comparisons between MC results and experimental electron-probe microanalysis (EPMA) measurements as well as phi(rhoz) correction algorithms. Experimental EPMA measurements made on NIST SRM 481 (AgAu) and 482 (CuAu) alloys, at a range of accelerating potential and instrument take-off angles, represent a formal microanalysis data set that has been widely used to develop phi(rhoz) correction algorithms. X-ray intensity data produced by MC simulations represents an independent test of both experimental and phi(rhoz) correction algorithms. The alpha-factor method has previously been used to evaluate systematic errors in the analysis of semiconductor and silicate minerals, and is used here to compare the accuracy of experimental and MC-calculated x-ray data. X-ray intensities calculated by MC are used to generate a-factors using the certificated compositions in the CuAu binary relative to pure Cu and Au standards. MC simulations are obtained using the NIST, WinCasino, and WinXray algorithms; derived x-ray intensities have a built-in atomic number correction, and are further corrected for absorption and characteristic fluorescence using the PAP phi(rhoz) correction algorithm. The Penelope code additionally simulates both characteristic and continuum x-ray fluorescence and thus requires no further correction for use in calculating alpha-factors.

Carpenter, P. K.↗

Calibrating constitutive models with full‐field data via physics informed neural networks

Abstract The calibration of solid constitutive models with full‐field experimental data is a long‐standing challenge, especially in materials that undergo large deformations. In this paper, we propose a physics‐informed deep‐learning framework for the discovery of hyperelastic constitutive model parameterizations given full‐field surface displacement data and global force‐displacement data. Contrary to the majority of recent literature in this field, we work with the weak form of the governing equations rather than the strong form to impose physical constraints upon the neural network predictions. The approach presented in this paper is computationally efficient, suitable for irregular geometric domains, and readily ingests displacement data without the need for interpolation onto a computational grid. A selection of canonical hyperelastic material models suitable for different material classes is considered including the Neo–Hookean, Gent, and Blatz–Ko constitutive models as exemplars for general non‐linear elastic behaviour, elastomer behaviour with finite strain lock‐up, and compressible foam behaviour, respectively. We demonstrate that physics informed machine learning is an enabling technology and may shift the paradigm of how full‐field experimental data are utilized to calibrate constitutive models under finite deformations.

Hamel, Craig M.↗

CALPHAD Uncertainty Quantification and TDBX

CALPHAD uncertainty quantification (UQ) is the foundation of materials design with quantified confidence. We report a framework and software packages to enable CALPHAD UQ assessment and calculation using commercial CALPHAD software (Thermo-Calc). This Bayesian inference framework is coupled with a Markov chain Monte Carlo algorithm to establish uncertainty traces with a given thermodynamic database file (TDB) and corresponding experimental data points. This general framework is demonstrated with the Ni–Cr binary system. The algorithm is firstly validated on synthetic data with known ground truth. Then it is applied to real experimental data to generate posterior traces. We develop a file format named TDBX, which provides a single source of truth by combining the original TDB content and the traces for each assessed Gibbs energy parameter. CALPHAD UQ calculations are performed based on the TDBX file, from which uncertainties for phase boundaries, enthalpy curves, and solidification range are collected as examples of basic design parameters. This TDBX file with corresponding scripts are made open-source. Finally, the combination of CALPHAD UQ assessments and calculations connected by TDBX supports uncertainty-assisted modeling, enabling the integrated application of modern design with uncertainty methodologies to computational materials design.

36 MATERIALS SCIENCE↗

Simulated effect of defect volume and location on very high cycle fatigue of laser beam powder bed fused AlSi10Mg

This study quantifies the interaction between volumetric defect location and size on the very high cycle fatigue (VHCF) of laser beam powder bed fused (LB-PBF) AlSi10Mg. Crystal plasticity finite element method (CPFEM) simulations were used to investigate the effects of defect location and size on the driving force for crack initiation. The CPFEM model was calibrated against uniaxial and cyclic experimental data of LB-PBF AlSi10Mg. Defect characteristics were informed by experimental data from the specimens produced in various geometries to create realistic representative volume elements (RVEs) with equivalent volume fractions of defects. By embedding defects of varying sizes and locations within the RVEs, fatigue indicator parameters (FIPs) were calculated to analyze the impact of defects’ characteristics on fatigue performance. Different combinations of defect volume and locations were generated for various microstructure instantiations, providing insight into extreme value fatigue responses. Larger defect volumes located on free surfaces consistently generated the highest FIPs, suggesting defect size and boundary proximity intensify stress concentration effects. RVEs with multiple smaller defects produced lower FIPs than those with single large critical defects. These findings underscore the critical role of defect characteristics on fatigue life, providing a foundation for future predictive modeling in fatigue-sensitive AM applications.

AlSi10Mg↗

First-principles-derived transport properties of Molten chloride salts

Molten salts have many applications ranging from a heat transfer medium in both generation IV nuclear reactor designs and the solar industry to thermal storage systems. While molten salts show promising properties for these applications, there still exists a knowledge gap for the transport properties of molten salts at elevated temperatures. This work uses ab initio Molecular Dynamics to investigate the transport properties of KCl, LiCl, KCl-LiCl eutectic, NaCl, MgCl 2 , and NaCl-MgCl 2 eutectic molten salt systems. Further, the properties presented here are the diffusion coefficient, viscosity, and isochoric heat capacity. These properties are compared to experimental data where available and other computational work in cases where no experimental data is available. This is the first work to explore timescales over 100 ps via AIMD for the determination of transport properties in molten salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Prediction of Redox Potentials for U, Np, Pu, and Am in Aqueous Solution

The redox properties of the actinides in aqueous solution are important for fuel production/reprocessing and understanding the environmental impact of nuclear waste. The redox potentials for U, Np, Pu, and Am in oxidation states from 0 up to VII (as appropriate) in aqueous solutions have been predicted at the density functional theory level with the B3LYP functional, Stuttgart small core pseudopotential basis sets for the actinides, and explicit (30H 2 O molecules)/implicit treatment of the aqueous solvent using the self-consistent reaction field COSMO and SMD approaches for the implicit solvation. The predictions of the structural parameters of clusters incorporating first and second solvation shells are consistent with the available experimental data., Our results are typically within 0.2 V of the available experimental data using two explicit solvation shells with an implicit solvent model. The use of the PW91 functional substantially improved the prediction of the Pu(VI/V) redox couple. The redox couples for An(VI/IV) and An(V/IV) which involve the addition of protons and removal of the actinyl oxygens led to slightly larger differences from experiment. Here, the An(IV/0) and An(III/0) couples were reliably predicted with our approach. Predictions of the unknown An(II/I) redox potentials were negative, consistent with expectations, and predictions for unknown An(VII/VI), An(III/II), and An(II/0) redox couples improve prior estimates.

Actinides↗

High Fidelity CFD Simulations Supporting the KP-FHR

Kairos Power, LLC, is developing its version of the Fluoride-cooled High-temperature Reactor, the KP-FHR. The design uses a pebble bed core with fluoride salt as a coolant. The pebbles used in the KP-FHR have a diameter of 4 cm, with a shell fuel region where TRISO particles are embedded. A Pebble bed core design is adopted by several Gen IV reactors, They boast many benefits, such as fuel integrity, highly efficient heat transfer, and passive safety. However, it is challenging to accurately predict temperature and flow inside a pebble bed. Traditional approaches use the porous media model, which regards the pebble bed as a continuous medium, but with different temperature fields representing different levels, such as the fluid temperature, pebble surface temperature, and pebble center temperature. Empirical heat transfer correlations are adopted to calculate the heat transfer coefficient between different phases. However, empirical correlations are usually validated with experimental data, which usually lacks detail inside the pebble bed. The available experimental data is also generally at a high Reynolds number, which falls outside of the conditions of KP-FHR. Explicit computational fluid dynamics (CFD) simulations of randomly packed pebble beds have only become feasible recently. This is thanks to the rapid development of computational power and scalable algorithms. In this work, we used the Spectral Element Method (SEM) CFD code NekRS to simulate the randomly packed pebble bed in a cylindrical container. NekRS, which is the GPU variant of Nek5000, but refactored to utilize the computational power of GPUs using the OCCA library to run on hybrid architecture high performance computing systems. It was initially developed with the libParamunal library, but truncated and tuned for large-scale turbulence simulation. As a result, the SEM reaches higher precision with the same degrees of freedom by using a high-order Lagrange polynomial basis distributed on Gauss-Lobatto-Legendre quadrature inside each element, compared to lower-order methods, such the Finite Volume Method and Finite Element Method. The report is divided into five parts. We start with a general discussion of the pebble bed reactor, along with a specific investigation into the KP-FHR. The second part presents the numerical methodology. In the third part, we study a modular pebble bed with 1741 pebbles in a container of 7 pebble-diameter radius. Beyond LES simulations done by NekRS, we also leveraged the thermal radiation model in OpenFOAM to study heat transfer under no-forced-flow scenarios. Then, in the fourth part we simulated a pebble bed similar to the size of the Hermes Test Reactor. The total number of pebbles is in these simulations is 34,374. The container radius is 14 pebble-diameters. Finally, the report concludes in part five, with a discussion of future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Measured and calculated mean flow properties of a two-dimensional, hypersonic, turbulent wake

The hypersonic turbulent wake produced by a wedge was studied experimentally and its properties were compared with predictions obtained from a numerical computation procedure. In the computation procedure several models for the eddy viscosity formulation of the turbulent transport were examined. Conventional-defect models and a modified mixing-length model were found to yield good predictions of the experimental data. The classical mixing-length model gave unrealistic results. The experimental data displayed similarity when velocity and temperature defects were scaled by the maximum defects and the transverse coordinate was scaled by the velocity-defect half-width.

Wagner, R. D.↗

Analysis of viscous transonic flow over airfoil sections

A full Navier-Stokes solver has been used to model transonic flow over three airfoil sections. The method uses a two-dimensional, implicit, conservative finite difference scheme for solving the compressible Navier-Stokes equations. Results are presented as prescribed for the Viscous Transonic Airfoil Workshop to be held at the AIAA 25th Aerospace Sciences Meeting. The NACA 0012, RAE 2822 and Jones airfoils have been investigated for both attached and separated transonic flows. Predictions for pressure distributions, loads, skin friction coefficients, boundary layer displacement thickness and velocity profiles are included and compared with experimental data when possible. Overall, the results are in good agreement with experimental data.

Huff, Dennis L.↗

Analysis of viscous transonic flow over airfoil sections

A full Navier-Stokes solver has been used to model transonic flow over three airfoil sections. The method uses a two-dimensional, implicit, conservative finite difference scheme for solving the compressible Navier-Stokes equations. Results are presented as prescribed for the Viscous Transonic Airfoil Workshop to be held at the AIAA 25th Aerospace Sciences Meeting. The NACA 0012, RAE 2822 and Jones airfoils have been investigated for both attached and separated transonic flows. Predictions for pressure distributions, loads, skin friction coefficients, boundary layer displacement thickness and velocity profiles are included and compared with experimental data when possible. Overall, the results are in good agreement with experimental data.

Huff, Dennis L.↗

Viscosity Measurement for Tellurium Melt

The viscosity of high temperature Te melt was measured using a new technique in which a rotating magnetic field was applied to the melt sealed in a suspended ampoule, and the torque exerted by rotating melt flow on the ampoule wall was measured. Governing equations for the coupled melt flow and ampoule torsional oscillation were solved, and the viscosity was extracted from the experimental data by numerical fitting. The computational result showed good agreement with experimental data. The melt velocity transient initiated by the rotating magnetic field reached a stable condition quickly, allowing the viscosity and electrical conductivity of the melt to be determined in a short period.

Lin, Bochuan↗

Verification and Validation of the k-kL Turbulence Model in FUN3D and CFL3D Codes

The implementation of the k-kL turbulence model using multiple computational uid dy- namics (CFD) codes is reported herein. The k-kL model is a two-equation turbulence model based on Abdol-Hamid's closure and Menter's modi cation to Rotta's two-equation model. Rotta shows that a reliable transport equation can be formed from the turbulent length scale L, and the turbulent kinetic energy k. Rotta's equation is well suited for term-by-term mod- eling and displays useful features compared to other two-equation models. An important di erence is that this formulation leads to the inclusion of higher-order velocity derivatives in the source terms of the scale equations. This can enhance the ability of the Reynolds- averaged Navier-Stokes (RANS) solvers to simulate unsteady ows. The present report documents the formulation of the model as implemented in the CFD codes Fun3D and CFL3D. Methodology, veri cation and validation examples are shown. Attached and sepa- rated ow cases are documented and compared with experimental data. The results show generally very good comparisons with canonical and experimental data, as well as matching results code-to-code. The results from this formulation are similar or better than results using the SST turbulence model.

Abdol-Hamid, Khaled S.↗

A Study of Highly Underexpanded Supersonic Jets in Subsonic Crossflow

Numerical and empirical solutions were compared to experimental results for under-expanded supersonic jets penetrating normally into a subsonic crossflow. The injector jet trajectory was determined experimentally through Pitot probe surveys. Numerical solutions were obtained through FUN3D (a 3-D Unstructured Navier Stokes solver) for nine cases where the injector ‘jet Mach number’ ranged from 1.38 to 3.29 while the crossflow was maintained at a constant Mach number of 0.275. Four different turbulence models were used in the numerical study: Spalart-Allmaras (SA), Shear-Stress-Transport (SST), ‘SA-Neg’, and ‘SST-V’. At a low supersonic jet Mach number, the four turbulence models produced similar results. At higher Mach numbers, only the SA produced a converged solution, however, the numerically determined jet trajectories deviated noticeably from the experimental data as the injector jet Mach number increased. The numerical and experimental results were compared to four empirical formulae found in the literature. All four were inadequate in predicting the jet trajectories for the operating conditions reported in this study. Two of the empirical formulae were modified to bring the predictions within reasonable agreement with the experimental data.

jets↗

Uniqueness of relaxation times determined by dielectric spectroscopy

Dielectric spectroscopy is extremely powerful to study molecular dynamics, because of the very broad frequency range. Often multiple processes superimpose resulting in spectra that expand over several orders of magnitude, with some of the contributions partially hidden. For illustration, we selected two examples, (i) normal mode of high molar mass polymers partially hidden by conductivity and polarization and (ii) contour length fluctuations partially hidden by reptation using the well-studied polyisoprene melts as example. The intuitive approach to describe experimental spectra and to extract relaxation times is the addition of two or more model functions. Here, we use the empirical Havriliak-Negami function to illustrate the ambiguity of the extracted relaxation time, despite an excellent agreement of the fit with experimental data. We show that there are an infinite number of solutions for which a perfect description of experimental data can be achieved. However, a simple mathematical relationship indicates uniqueness of the pairs of the relaxation strength and relaxation time. Sacrificing the absolute value of the relaxation time enables to find the temperature dependence of the parameters with a high accuracy. For the specific cases studied here, the time temperature superposition (TTS) is very useful to confirm the principle. However, the derivation is not based on a specific temperature dependence, hence, independent from the TTS. We compare new and traditional approaches and find the same trend for the temperature dependence. The important advantage of the new technology is the knowledge of the accuracy of the relaxation times. Relaxation times determined from data for which the peak is clearly visible are the same within the experimental accuracy for traditional and new technology. However, for data where a dominant process hides the peak, substantial deviations can be observed. Finally, we conclude that the new approach is particularly helpful for cases in which relaxation times need to be determined without having access to the associated peak position.

36 MATERIALS SCIENCE↗

Solving differential equations using deep neural networks

Recent work on solving partial differential equations (PDEs) with deep neural networks (DNNs) is presented. The paper reviews and extends some of these methods while carefully analyzing a fundamental feature in numerical PDEs and nonlinear analysis: irregular solutions. First, the Sod shock tube solution to the compressible Euler equations is discussed and analyzed. This analysis includes a comparison of a DNN-based approach with conventional finite element and finite volume methods, and demonstrates that the DNN is competitive in terms of degrees of freedom required for a given accuracy. Further, the DNN-based approach is extended to consider performance improvements and simultaneous parameter space exploration. Next, a shock solution to compressible magnetohydrodynamics (MHD) is solved for, and used in a scenario where experimental data is utilized to enhance a PDE system that is a priori insufficient to validate against the observed/experimental data. This is accomplished by enriching the model PDE system with source terms that are then inferred via supervised training with synthetic experimental data. The resulting DNN framework for PDEs enables straightforward system prototyping and natural integration of large data sets (be they synthetic or experimental), all while simultaneously enabling single-pass exploration of an entire parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electron-capture cross-sections for some astrophysical processes

Electron-capture cross sections are calculated and compared with existing experimental data. It is noted that the good agreement of the results with experimental data for the oxygen process suggests that the method given here can be successfully used for multielectron shell capture processes for intermediate and large incident energies. An explanation is given for the departure of the calculated cross sections from the experimental results for one of the processes at low relative energies. The theoretical results are seen as providing reasonably accurate cross sections for detailed modeling of Io's atmosphere.

Kunc, J. A.↗

The Effect of Pressure on NO x Entitlement and Reaction Timescales in a Premixed Axial Jet-In-Crossflow

This paper investigates the pressure dependency of a lean premixed jet injected into a lean vitiated crossflow with an experimentally verified detailed chemistry computational fluid dynamics (CFD) model and 53 species considered. Experimental data were taken in an axially staged combustor with an optically accessible test section, allowing the use of particle image velocimetry (PIV) and CH* chemiluminescence techniques as well as point measurement of species concentration, temperature, and pressure. The experimental data cases at one, three, and five atmospheres were selected to describe the flame stabilization dependency on pressure and gain the required knowledge for an extrapolation to engine condition. Simulated exit nitrogen oxide levels were validated with experimental emission data, and a global emission trend for the NO reduction at elevated pressure and constant turbine inlet temperature level was defined. The nitrogen oxide benefit at elevated operating pressure was justified with the significantly smaller flame surface area: the analysis of the simulated spanwise and top-view profiles showed a relatively short receded core flame with nitrogen oxide production in the center at high pressure relative to a longer and larger shear layer flame at atmospheric condition that produced NO toward the inner and outer side of the flame. Furthermore, decomposition of the Damköhler number revealed the strong influence of the reaction timescales with higher reaction rates at elevated pressure, along with a moderate influence of the turbulent timescales, showing higher turbulence intensity in the lee-side recirculation zone at lower pressure.

03 NATURAL GAS↗