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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 19 records

A Robust Numerical Treatment of Solid-Phase Diffusion in Pseudo Two-Dimensional Lithium-Ion Battery Models

Solid-phase diffusion in active materials of lithium-ion batteries significantly affects charging and safety-related behavior of lithium-ion batteries. Therefore, it is essential to develop an efficient and robust numerical algorithm for solving solid-phase diffusion equations in physics-based battery models. In this work, we discuss the origins of numerical instabilities that can occur when solving the solid-phase diffusion equations using iterative methods. Then, in order to resolve such issues, we propose a simple numerical treatment to the surface flux term of discretized solid-phase diffusion equations. To demonstrate its numerical robustness, the proposed method is implemented into a pseudo two-dimensional (P2D) physics-based battery model and simulations are conducted at wide ranges of operating conditions. Even with extremely poor initial guesses for the Li+ concentrations of the active materials, computations using the proposed method do not diverge and the their computational speeds are comparable to those with conventional initial guesses. Comprehensive tests of the proposed method are also performed with a dynamic current profile based on US06 driving profile and a multi-stage charging profile with very high initial C-rate (12C).

battery modeling↗

Reformulating a Gurson-based dynamic damage model and demonstrating improved predictive power and numerical robustness

The original Tepla (TEnsile PLAsticity) ductile damage model, based on the Gurson yield surface, has long been used to model damage evolution and material failure under dynamic loading. Unfortunately, Tepla suffered from mesh sensitivity, numerical instability, and limited predictive capability. Here, we theoretically reformulate Tepla to address these issues. We especially focus on the prediction of porosity, which is the key state variable used for modeling ductile damage, as compared to more easily measured surface velocities, which are at best an indirect measure of damage. Key model changes include separating the viscosity during volumetric void growth from underlying shear strength behavior and switching to an iterative bisection solver. The new Tepla is then calibrated on incipient spall experiments on half-hard copper and tantalum, which demonstrate its ability to simultaneously fit the model to recovered porosity distributions and measured surface velocities, a stringent test. Improved numerical behavior, such as greatly reduced mesh sensitivity, is also shown in those simulations. Finally, the new Tepla model is applied to several high-explosive loaded, sweeping wave experiments, showing the ability of the model to predict behavior on tests with significantly different loading conditions and histories than the calibration data.

36 MATERIALS SCIENCE↗

Supporting hierarchical soil biogeochemical modeling: version 2 of the Biogeochemical Transport and Reaction model (BeTR-v2)

Abstract. Reliable soil biogeochemical modeling is a prerequisite for credible projections of climate change and associated ecosystem feedbacks. This recognition has called for frameworks that can support flexible and efficient development and application of new or alternative soil biogeochemical modules in Earth system models (ESMs). The the Biogeochemical Transport and Reaction model version 1 (BeTR-v1) code (i.e., CLM4-BeTR) is one such framework designed to accelerate the development and integration of new soil biogeochemistry formulations into ESMs and to analyze structural uncertainty in ESM simulations. With a generic reactive transport capability, BeTR-v1 can represent multiphase (e.g., gaseous, aqueous, and solid), multi-tracer (e.g., nitrate and organic carbon), and multi-organism (e.g., plants, bacteria, and fungi) dynamics. Here, we describe the new version, Biogeochemical Transport and Reaction model version 2 (BeTR-v2), which adopts more robust numerical solvers for multiphase diffusion and advection and coupling between biogeochemical reactions and improves code modularization over BeTR-v1. BeTR-v2 better supports different mathematical formulations in a hierarchical manner by allowing the resultant model be run for a single topsoil layer or a vertically resolved soil column, and it allows the model to be fully coupled with the land component of the Energy Exascale Earth System Model (E3SM). We demonstrate the capability of BeTR-v2 with benchmark cases and example soil biogeochemical (BGC) implementations. By taking advantage of BeTR-v2's generic structure integrated in E3SM, we then found that calibration could not resolve biases introduced by different numerical coupling strategies of plant–soil biogeochemistry. These results highlight the importance of numerically robust implementation of soil biogeochemistry and coupling with hydrology, thermal dynamics, and plants – capabilities that the open-source BeTR-v2 provides. We contend that Earth system models should strive to minimize this uncertainty by applying better numerical solvers.

58 GEOSCIENCES↗

Development and Verification of a Numerical Library for Solving Global Terrestrial Multiphysics Problems

Abstract Current generation Land Surface Models (LSMs) routinely simulate many nonlinear multiphysics processes. The complexity of future generation LSMs is expected to increase as critical new biophysical and biogeochemical processes are incorporated. Current generation LSMs have several shortcomings including the lack of robust numerical methods to solve discretized equations, monolithic software design that hinders testing of a process representation in isolation from other components, and absence of a flexible coupling framework to solve tightly coupled multiphysics problems. While the LSMs community vigorously evaluates the accuracy of the conceptual model to represent reality (validation), the accuracy of the numerical implementation of the conceptual model (verification) is seldom examined. Method of Manufactured Solutions is a technique for verifying complex codes when analytical solutions are unavailable. In this work, we present a stand‐alone, open source numerical library for solving global terrestrial multiphysics processes that includes a flexible coupling framework. Robust numerical solution for linear and nonlinear equations is provided via the Portable, Extensible Toolkit for Scientific Computation library. We verify the numerical library using Method of Manufactured Solutions for a range of problems comprising single and multiphysics steady state problems that are applied in one or multiple physical domains. This work provides an example of incorporating code verification as an integral part of Land Surface Model development activities.

58 GEOSCIENCES↗

Dynamic responses of submerged components in advanced reactors: experimental and numerical studies

The seismic design of an advanced nuclear reactor must consider the interaction of vessel internal components with the surrounding coolant: fluid–structure interaction (FSI). Available analytical solutions for FSI of submerged components do not accommodate multiple-component, intense seismic inputs and complex reactor and internal geometries. Physical testing of reactor vessels and internals to inform seismic design is impractical and cost-prohibitive, leaving the use of verified and validated, robust numerical models as the only plausible option for analysis and design. Physical data that could be used for validating such numerical models for multi-component shaking are not available. This article describes an experimental program performed on a 6-degree-of-freedom earthquake simulator to generate data that could support validation of seismic FSI numerical models for submerged components in commercial finite element codes. A scaled model of a base-supported reactor vessel with simplified representations of submerged internals was tested to generate submerged-component response histories for a range of seismic inputs. The generated data were used to validate numerical models in the finite element code LS-DYNA. Numerical models were validated for calculation of hydrodynamic pressure responses on internals, in-water frequencies of internals, and acceleration responses of internals. The generated data and the analysis recommendations could aid engineering analysts designing submerged components and systems for seismic effects.

Engineering↗

Numerical derivative techniques for trajectory optimization

The adoption of robust numerical optimization techniques in trajectory simulation programs has resulted in powerful design and analysis tools. These trajectory simulation/optimization programs are widely used, and a representative list includes the GTS system, the POST program, and newer collocation methods such as OTIS and FONPAC. All of these programs rely on optimization algorithms which require objective function and constraint gradient data during the iteration process. However, most trajectory optimization problems lack simple analytical expressions for these derivatives. In the general case a function evaluation involves integrating aerodynamic, propulsive, and gravity forces over multiple trajectory phases with complex control models. With the newer collocation methods, the integration is replaced by defect constraints and cubic approximations for the state. While analytic gradient expressions can sometimes be derived for trajectory optimization problems, the derivation is cumbersome, time consuming, and prone to mistakes. Fortunately, an alternate method exists for the gradient evaluation, namely finite difference approximations. In this paper some finite difference gradient techniques developed for use with the GTS system are presented. These techniques include methods for computing first and second partial derivatives of single and multiple sets of functions. A key feature of these methods is an error control mechanism which automatically adjusts the perturbation size to obtain accurate derivative values.

Hallman, Wayne P.↗

Numerical Predictions of Wind Turbine Power and Aerodynamic Loads for the NREL Phase II and IV Combined Experiment Rotor

Accurate, reliable and robust numerical predictions of wind turbine rotor power remain a challenge to the wind energy industry. The literature reports various methods that compare predictions to experiments. The methods vary from Blade Element Momentum Theory (BEM), Vortex Lattice (VL), to variants of Reynolds-averaged Navier-Stokes (RaNS). The BEM and VL methods consistently show discrepancies in predicting rotor power at higher wind speeds mainly due to inadequacies with inboard stall and stall delay models. The RaNS methodologies show promise in predicting blade stall. However, inaccurate rotor vortex wake convection, boundary layer turbulence modeling and grid resolution has limited their accuracy. In addition, the inherently unsteady stalled flow conditions become computationally expensive for even the best endowed research labs. Although numerical power predictions have been compared to experiment. The availability of good wind turbine data sufficient for code validation experimental data that has been extracted from the IEA Annex XIV download site for the NREL Combined Experiment phase II and phase IV rotor. In addition, the comparisons will show data that has been further reduced into steady wind and zero yaw conditions suitable for comparisons to "steady wind" rotor power predictions. In summary, the paper will present and discuss the capabilities and limitations of the three numerical methods and make available a database of experimental data suitable to help other numerical methods practitioners validate their own work.

Duque, Earl P. N.↗

A reliable algorithm for optimal control synthesis

In recent years, powerful design tools for linear time-invariant multivariable control systems have been developed based on direct parameter optimization. In this report, an algorithm for reliable optimal control synthesis using parameter optimization is presented. Specifically, a robust numerical algorithm is developed for the evaluation of the H(sup 2)-like cost functional and its gradients with respect to the controller design parameters. The method is specifically designed to handle defective degenerate systems and is based on the well-known Pade series approximation of the matrix exponential. Numerical test problems in control synthesis for simple mechanical systems and for a flexible structure with densely packed modes illustrate positively the reliability of this method when compared to a method based on diagonalization. Several types of cost functions have been considered: a cost function for robust control consisting of a linear combination of quadratic objectives for deterministic and random disturbances, and one representing an upper bound on the quadratic objective for worst case initial conditions. Finally, a framework for multivariable control synthesis has been developed combining the concept of closed-loop transfer recovery with numerical parameter optimization. The procedure enables designers to synthesize not only observer-based controllers but also controllers of arbitrary order and structure. Numerical design solutions rely heavily on the robust algorithm due to the high order of the synthesis model and the presence of near-overlapping modes. The design approach is successfully applied to the design of a high-bandwidth control system for a rotorcraft.

Vansteenwyk, Brett↗

Newton algorithm for fitting transfer functions to frequency response measurements

In this paper the problem of synthesizing transfer functions from frequency response measurements is considered. Given a complex vector representing the measured frequency response of a physical system, a transfer function of specified order is determined that minimizes the sum of the magnitude-squared of the frequency response errors. This nonlinear least squares minimization problem is solved by an iterative global descent algorithm of the Newton type that converges quadratically near the minimum. The unknown transfer function is expressed as a sum of second-order rational polynomials, a parameterization that facilitates a numerically robust computer implementation. The algorithm is developed for single-input, single-output, causal, stable transfer functions. Two numerical examples demonstrate the effectiveness of the algorithm.

Spanos, J. T.↗

Some Comments on the Status of Shell Theory at the End of the 20th Century: Complaints and Correctives

This review is divided into complaints and correctives. Complaints are directed at: sloppy refereeing and editing; authors who fail to read or acknowledge what others have done; the mis-naming or mis-crediting of results; the misunderstanding and misuse of the Kirchhoff hypothesis; inflated claims of accuracy based on overly-simplified benchmark problems; the failure to appreciate the inherent errors in various shell models; the failure to appreciate that the physical response and mathematical structure of shell theory are fundamentally different from 3-dimensional elasticity; and the irrelevance of Cosserat-type theories. Correctives include a simple, straight-forward derivation of a general nonlinear dynamic shell theory with the following features: (1) the equations of motion and kinematics (and those of thermodynamics, if desired) are exact consequences of their 3-dimensional counterparts; (2) there are no asymptotic or series expansions through the thickness; (3) all approximations (including the Kirchhoff Hypothesis) occur in the constitutive relations; (4) in static problems, there is a mixed form of the governing equations involving a mixed-energy density and exhibiting remnants of the well-known static-geometric duality of linear theory which is numerically robust because the limiting cases of nonlinear membrane theory and inextensional bending theory fall out naturally. (These latter two special cases are known to produce numerical nightmares unless treated with great care); and (5) all equations may be expressed in coordinate-free form (although, sometimes, a hybrid form is shown to be superior).

Simmonds, James G.↗

Predicting SLS Launch Environment using a Novel Multiphase Formulation

Powerful acoustic waves generated during ignition of launch vehicles may be dangerous to the vehicle, its payload, or the surrounding structures. The water-based Ignition Overpressure and Sound Suppression (IOP/SS) system at Kennedy Space Center’s (KSC) Launch Complex 39B (LC-39B) will be used to protect the Space Launch System (SLS) from the acoustic vibrations generated during launch. The IOP/SS system uses enormous amounts of water to dampen and attenuate these sound waves. To better understand the launch environment risks and to study the effectiveness of the IOP/SS system it is desirable to have time-accurate unsteady simulations of the vehicle ignition with water-based sound suppression. This paper presents results obtained with a novel, high-order accurate, and robust numerical method designed for simulating compressible multiphase flows. A positivity-preserving finite difference scheme is utilized which is formally high-order accurate and also provably robust. Robustness is critical due to the extreme nature of the flow which exhibits highly nonlinear shock and rarefaction waves interacting with liquid-gas interfaces with density ratios of the order of 1000:1. Furthermore, the high-order accuracy (and the high resolution property) is desirable for predicting wave phenomena like IOP waves since the signal can be resolved accurately and propagated long distances with fewer grid points. This finite-difference method was developed using NASA’s Launch, Ascent, and Vehicle Aerodynamics (LAVA) Cartesian immersed boundary framework. We present a validation case by applying our solver to the SLS Scale Model Acoustic Test (SMAT). The SLS SMAT is a well-instrumented 5% scale model test meant to represent the SLS at NASA KSC’s LC-39B pad. Scale IOP tests were performed with and without the sound suppression water and included many sensors which recorded the pressure waves produced during ignition. For this validation case we conduct two simulations, likewise with and without sound suppression water, and compare the SLS SMAT pressure sensor signals with our numerical signals at identical locations. Following this validation case we present a study of the SLS launch environment to examine engineering safety concerns about the mobile launch pad. Engineers at KSC redesigned the main flame deflector at LC-39B anticipating the increased loads from the SLS and to repair damage from prior Shuttle missions. This deflector redesign made use of surface pressure and temperature data from LAVA full-scale SLS simulations without the sound suppression system. The engineers were questioning the possibility of increased pressure loads on the underside of the mobile launcher due to the water in the flame trench. Based on the results established in our simulations of the SLS SMAT, we performed updated calculations for SLS at LC-39B with and without water systems active to assess the readiness of the launch pad for Artemis I launch. Our results show that the IOP/SS system is effective at reducing the overpressure signal and overall sound pressure levels felt by the vehicle and additionally that the pressure loads experienced by the mobile launcher (ML) during engine startup is not increased by the presence of water.

EGS↗

The Effect of Warm Dark Matter on Early Star Formation Histories of Massive Galaxies: Predictions from the CROC Simulations

Several massive (M * > 108 M ⊙ ), high-redshift (z = 8–10) galaxies have recently been discovered to contain stars with ages of several hundred million years, pushing the onset of star formation in these galaxies back to z ~ 15. The very existence of stars formed so early may serve as a test for cosmological models with suppressed small-scale power (and, hence, late formation of cosmic structure). We explore the ages of the oldest stars in numerical simulations from the Cosmic Reionization On Computers project with cold dark matter (CDM) and two warm dark matter (WDM) cosmologies with 3 and 6 keV particles. There are statistically significant differences of ~5 Myr between average stellar ages of massive galaxies in CDM and 3 keV WDM, while CDM and 6 keV WDM are statistically indistinguishable. Even this 5 Myr difference, however, is much less than current observational uncertainties on the stellar population properties of high-redshift galaxies. The age distributions of all galaxies in all cosmologies fail to produce a substantial Balmer break, although uncertainties in dust attenuation are a potentially significant factor. Finally, we assess the convergence of our simulation predictions and find that the systematic uncertainties on individual galaxy properties are comparable to the differences between cosmologies, suggesting these differences may not be numerically robust.

79 ASTRONOMY AND ASTROPHYSICS↗

Contingency Analysis Based on Partitioned and Parallel Holomorphic Embedding

In the steady-state contingency analysis, the traditional Newton-Raphson method suffers from non-convergence issues when solving post-outage power flow problems, which hinders the integrity and accuracy of security assessment. In this paper, we propose a novel robust contingency analysis approach based on holomorphic embedding (HE). Here, the HE-based simulator provides theoretical convergence guarantee, which is desirable because it avoids the influence of numerical issues and provides a credible security assessment conclusion. In addition, based on the multi-area characteristics of real-world power systems, a partitioned HE (PHE) method is proposed with an interfacebased partitioning of HE formulation. The PHE method does not undermine the numerical robustness of HE and significantly reduces the computation burden in large-scale contingency analysis. The PHE method is further enhanced by parallel or distributed computation to become parallel PHE (P2HE). Tests on a 458-bus system, a synthetic 419-bus system and a large-scale 21447-bus system demonstrate the advantages of the proposed methods in robustness and efficiency.

42 ENGINEERING↗

Demonstration of Probabilistic Sensitivity Analyses Tools on the Structural Response of a Representative Inflatable Space Structure

This work provides an initial step toward demonstrating a probabilistic numerical simulation capability to support trade studies and the development of a certification plan for inflatable space habitats. This study concentrates on interpreting the results from probabilistic analysis and numerical simulation tools to identify parameter sensitivities for a novel inflatable airlock concept, specifically the Non‐Axisymmetric Inflatable Pressure Structure (NAIPS) that was designed and tested under NASA's Minimalistic Advanced Softgoods Hatch (MASH) Program. A brief overview of the finite element model is provided along with the probabilistic sensitivity analysis approach. The sensitivity studies required a model that was numerically stable and efficient enough that hundreds of simulations could be completed in the allotted time. Therefore, the existing full model was simplified by: extracting a quarter symmetry section of the dome; focusing on a single inflation pressure; and replacing the non‐linear material stress‐strain curves with linear, isotropic materials defined by elastic moduli. Responses of interest include the sensitivity of various structural component loads to material properties, cord lengths, inflation pressure and friction. Multiple sensitivity studies were completed and three are reported here. The first study focused on utilizing wide input parameter ranges to provide an opportunity to assess numerical robustness. The next two studies narrowed the parameter ranges to enable focus on understanding uncertainty at a fixed operating condition. The completion of the sensitivity studies improved understanding of the interdependence of multiple inputs on the responses. In addition, numerical stability of the simulations over wide parameter ranges, shows the feasibility of incorporating uncertainty‐based methods in the design and certification of inflatable space habitats. With the experience and trust gained, it is anticipated that these same methods will be applied to nonlinear, orthotropic models in the future.

Lyle, Karen H.↗

Efficient solutions of two-dimensional incompressible steady viscous flows

A simple, efficient, and robust numerical technique is provided for solving two dimensional incompressible steady viscous flows at moderate to high Reynolds numbers. The proposed approach employs an incremental multigrid method and an extrapolation procedure based on minimum residual concepts to accelerate the convergence rate of a robust block-line-Gauss-Seidel solver for the vorticity-stream function Navier-Stokes equations. Results are presented for the driven cavity flow problem using uniform and nonuniform grids and for the flow past a backward facing step in a channel. For this second problem, mesh refinement and Richardson extrapolation are used to obtain useful benchmark solutions in the full range of Reynolds numbers at which steady laminar flow is established.

Morrison, J. H.↗

Efficient solutions of two-dimensional incompressible steady viscous flows

A simple, efficient, and robust numerical technique is provided for solving two dimensional incompressible steady viscous flows at moderate to high Reynolds numbers. The proposed approach employs an incremental multigrid method and an extrapolation procedure based on minimum residual concepts to accelerate the convergence rate of a robust block-line-Gauss-Seidel solver for the vorticity-stream function Navier-Stokes equations. Results are presented for the driven cavity flow problem using uniform and nonuniform grids and for the flow past a backward facing step in a channel. For this second problem, mesh refinement and Richardson extrapolation are used to obtain useful benchmark solutions in the full range of Reynolds numbers at which steady laminar flow is established.

Morrison, J. H.↗

Mathematical Model of a Regenerative Fuel Cell for System Optimization

This thesis developed a system-level optimization model of a regenerative fuel cell (RFC) system for long-duration, off-world energy storage applications. Prior RFC design studies have typically been limited to reduced parameter sets and simplified constraints due to computational limitations relative to the number of relevant degrees of freedom. As a result, important nonlinear interactions between subsystems have not been fully captured. This work began to address that gap by developing a higher-fidelity, nonlinear optimization framework that incorporates a broader set of design variables and coupled constraints, enabling a multidimensional model that captures the coupled behavior of RFC subsystems and demonstrates the feasibility of applying optimization to such systems. An expanded system-level optimization approach was established that captures interactions between electrochemical performance, structural requirements, and storage design. This enabled a more comprehensive evaluation of trade-offs than conventional formulations. The model integrates four coupled subsystems: a fuel cell, an electrolyzer, reactant gas, and high-pressure storage tanks, and was formulated to accommodate a wide range of mission parameters, including operational time and required output power. It incorporates constraints on available solar array power, reactant mass balance between production and consumption, and pressure-dependent storage requirements. To enable reliable convergence, the optimization problem was reformulated to reduce dimensionality and improve numerical stability, with subsystem models organized for efficient evaluation. Problem dimensionality was reduced by consolidating lower-level design variables into higher-level representative quantities, and subsystem behavior was evaluated within the optimization loop. A multi-start initialization strategy was employed to mitigate sensitivity to local minima and improve solution quality, while nonlinear relationships were solved using robust numerical methods. The results showed that convergence was achieved across a range of required output power values. Specific energy reached a maximum at a critical mission power level, where the electrolyzer power matched the available solar input and operated near its voltage and current density limits. Beyond this point, further increases in required power resulted in less mass-efficient operation, increasing total system mass and reducing overall performance. The developed model represents an advancement in RFC system-level optimization by enabling analysis of a broader and more tightly coupled design space than previous considerations. While convergence behavior and computational cost remain challenges, the methods introduced improve solvability and allow inclusion of additional design variables with minimal loss of physical fidelity. However, the numerical results should not be interpreted as definitive design recommendations, as the model includes simplifying assumptions and omits several higher-order effects. Future work should extend this framework by incorporating additional subsystems and loss mechanisms, such as thermal management, parasitic power consumption, and reactant losses, to improve fidelity and ensure more representative design conclusions.

Electrochemistry↗

DECOVALEX-2023: Task G, SAFENET Final Report

DECOVALEX Task G deals with fracture mechanics at several scales using a combined approach of experimental work, related model development, benchmarking and experimental analysis. Fig. 0.1 provides a graphical abstract for Task G. The experimental basis for the related mechanical (M), hydro-mechanical (HM), and thermo-mechanical (TM) processes comes from the rock mechanics laboratories of Universities of Freiberg (TUBAF) and Edinburgh, as well as the Korea Institute of Civil Engineering and Building Technology (KICT). The experimental work in the rock laboratories is closely linked to the underground research laboratories (URLs) Reiche Zeche (Germany), KURT (Korea), and Mont Terri (Switzerland). The scientific key questions are related to fracture permeability evolution under THM conditions, anisotropy effects on fracturing processes, and thermal fracture slip, which are being addressed in specific steps of the task. A large variety of numerical methods have been developed and applied for experimental analysis, ranging from continuum to discontinuum approaches. A detailed comparison of mechanical and hydro-mechanical processes is given in the section 3 via the benchmarking exercises. As a result of DECOVALEX-2023 Task G we further improved our understanding and predictability of fracturing processes under THM conditions. This was based on robust numerical simulation methods and in-depth experimental analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗