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Recommended DSMC Collision Model Parameters for Planetary Entry

Hybrid simulation frameworks combining Computational Fluid Dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) are frequently employed to efficiently perform high-fidelity simulations of environments consisting of both continuum and rarified flow. DSMC is a stochastic, particle-based method which solves the fundamental Boltzmann equation and is therefore necessary for high-Knudsen flow where continuum-based assumptions governing CFD break down. However, the DSMC methodology is generally computationally inefficient to model the continuum regime. In a CFD/DSMC hybrid approach, obtaining an accurate, high-fidelity solution hinges on the consistent treatment of transport properties and the thermo-chemical models employed within the two solvers. In principle, in regions where CFD and DSMC are both employed, the same gas mixture under the same conditions should have the same properties, regardless of simulation type. Observed differences should be due to non-equilibrium processes, rather than differences in physical models. The goal of this work is to provide a comprehensive DSMC transport database encompassing the vast majority of known gas species encountered during Earth or other planetary atmospheric entry. This goal is largely possible due to recently performed ab initio quantum chemistry calculations. Combined with other high-fidelity data, the planned database will consist of collision integral data for over 200 neutral and ionized species and over 20000 binary collisions. From these collision integrals, Nelder-Mead optimization is used to compute collision-specific Variable Soft Sphere (VSS) collision model parameters, fitted from 300 K to 20000 K. Initial comparisons of transport properties of relevant equilibrium gas mixtures show great agreement between CFD and DSMC-derived results. The completed database can be readily applied to model binary collisions of any gas mixture containing the included species over the specified temperature range, making it a valuable tool for future planetary probe modeling efforts. An example is shown below in Fig. 1. Equilibrium mixture transport properties for a 35-species mixture composed originally of 10% air and 90% pyrolysis species of a carbon-phenolic ablator material [4] are computed using both fitted VSS Parameters and the original CFD collision integral values. Deviations in computed properties between the two approaches are less than 5% for the entire temperature range.

M. R. Gosma↗

NASA NTRS1984

Propane absorption band intensities and band model parameters from 680 to 1580/cm at 296 and 200 K

Band intensities and profiles have been measured for the propane absorption bands from 680 to 1580/cm at 296 and 200 K. This work was stimulated by the discovery of several propane bands in the spectrum of Titan by the Voyager 1 spacecraft. The low temperature laboratory data show that the bands become narrower and the Q branches of the bands somewhat stronger than they are at room temperature. Random band model parameters were determined over the entire region from the 42 spectra obtained at room temperature.

Giver, L. P.↗

DOE OSTI2024

Leptogenesis in parity solutions to the strong CP problem and Standard Model parameters

We study the simplest theories with exact spacetime parity that solve the strong CP problem and successfully generate the cosmological baryon asymmetry via decays of right-handed neutrinos. Lower bounds are derived for the masses of the right-handed neutrinos and for the scale of spontaneous parity breaking, v R . For generic thermal leptogenesis, v R ≳ 10 12 GeV, unless the small observed neutrino masses arise from fine-tuning. We compute v R in terms of the top quark mass, the QCD coupling, and the Higgs boson mass and find this bound is consistent with current data at 1σ. Future precision measurements of these parameters may provide support for the theory or, if v R is determined to be below 10 12 GeV, force modifications. However, modified cosmologies do not easily allow reductions in v R — no reduction is possible if leptogenesis occurs in the collisions of domain walls formed at parity breaking, and at most a factor 10 reduction is possible with non-thermal leptogenesis. Standard Model parameters that yield low values for v R can only be accommodated by having a high degree of degeneracy among the right-handed neutrinos involved in leptogenesis. If future precision measurements determine v R to be above 10 12 GeV, it is likely that higher-dimensional operators of the theory will yield a neutron electric dipole moment accessible to ongoing experiments. This is especially true in a simple UV completion of the neutrino sector, involving gauge singlet fermions, where the bound from successful leptogenesis is strengthened to v R ≳ 10 13 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2020

Using Flexible Execution, Replanning, and Model Parameter Updates to Address Environmental Uncertainty for a Planetary Lander

When planning in unknown environments, a planner must ensure robustness to unknown phenomena and manage unpredictable variation in execution. Productivity in the face of these challenges requires an integrated approach to planning and execution that is capable of reacting to variation while still maximizing overall utility. We examine this problem in the context of the Europa Lander mission concept. We propose a planning and execution framework that responds to feedback using three techniques: (1) flexible execution, (2) periodic replanning, and (3) online model parameter and utility updates. The efficacy of each of these techniques is examined through simulation of the Europa Lander concept, showing higher utility achievement compared to baseline approaches.

Chien, Steve A.↗

DOE OSTI2020

Using quasar X-ray and UV flux measurements to constrain cosmological model parameters

ABSTRACT Risaliti and Lusso have compiled X-ray and UV flux measurements of 1598 quasars (QSOs) in the redshift range 0.036 ≤ z ≤ 5.1003, part of which, z ∼ 2.4 − 5.1, is largely cosmologically unprobed. In this paper we use these QSO measurements, alone and in conjunction with baryon acoustic oscillation (BAO) and Hubble parameter [H(z)] measurements, to constrain cosmological parameters in six different cosmological models, each with two different Hubble constant priors. In most of these models, given the larger uncertainties, the QSO cosmological parameter constraints are mostly consistent with those from the BAO + H(z) data. A somewhat significant exception is the non-relativistic matter density parameter Ωm0 where QSO data favour Ωm0 ∼ 0.5 − 0.6 in most models. As a result, in joint analyses of QSO data with H(z) + BAO data the 1D Ωm0 distributions shift slightly towards larger values. A joint analysis of the QSO + BAO + H(z) data is consistent with the current standard model, spatially-flat ΛCDM, but mildly favours closed spatial hypersurfaces and dynamical dark energy. Since the higher Ωm0 values favoured by QSO data appear to be associated with the z ∼ 2 − 5 part of these data, and conflict somewhat with strong indications for Ωm0 ∼ 0.3 from most z < 2.5 data as well as from the cosmic microwave background anisotropy data at z ∼ 1100, in most models, the larger QSO data Ωm0 is possibly more indicative of an issue with the z ∼ 2 − 5 QSO data than of an inadequacy of the standard flat ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Determining the range of validity of quasar X-ray and UV flux measurements for constraining cosmological model parameters

ABSTRACT We use six different cosmological models to study the recently released compilation of X-ray and UV flux measurements of 2038 quasars (QSOs) which span the redshift range 0.009 ≤ z ≤ 7.5413. We find, for the full QSO data set, that the parameters of the X-ray and UV luminosities LX−LUV relation used to standardize these QSOs depend on the cosmological model used to determine these parameters, i.e. it appears that the full QSO data set includes QSOs that are not standardized and so cannot be used for the purpose of constraining cosmological parameters. Subsets of the QSO data, restricted to redshifts z ≲ 1.5–1.7 obey the LX−LUV relation in a cosmological-model-independent manner, and so can be used to constrain cosmological parameters. The cosmological constraints from these lower z, smaller QSO data subsets are mostly consistent with, but significantly weaker than, those that follow from baryon acoustic oscillation and Hubble parameter measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Calibration of elastoplastic constitutive model parameters from full-field data with automatic differentiation-based sensitivities

Here, we present a framework for calibration of parameters in elastoplastic constitutive models that is based on the use of automatic differentiation (AD). The model calibration problem is posed as a partial differential equation-constrained optimization problem where a finite element (FE) model of the coupled equilibrium equation and constitutive model evolution equations serves as the constraint. The objective function quantifies the mismatch between the displacement predicted by the FE model and full-field digital image correlation data, and the optimization problem is solved using gradient-based optimization algorithms. Forward and adjoint sensitivities are used to compute the gradient at considerably less cost than its calculation from finite difference approximations. Through the use of AD, we need only to write the constraints in terms of AD objects, where all of the derivatives required for the forward and inverse problems are obtained by appropriately seeding and evaluating these quantities. We present three numerical examples that verify the correctness of the gradient, demonstrate the AD approach's parallel computation capabilities via application to a large-scale FE model, and highlight the formulation's ease of extensibility to other classes of constitutive models.

42 ENGINEERING↗

DOE OSTI2025

Particle Swarm Optimization of Dynamic Load Model Parameters in Large Systems

This paper considers two dynamic load models that are widely used in industry to account for induction motor behavior: CMLD and CLOD. These models must be parametrized for the specific utility system in a general way so that they can be used in planning studies and provide a conservative but realistic representation of load behavior. This study considers a measurement-based approach to tuning both models. The load modeling study compares the response of the tuned models to generic candidate models using historical events. This study considers one area-based subsystem to simplify the modeling approach and reduce the number of models required for simulations. Additionally, because dynamic load models often produce similar results for different sets of parameters, a sensitivity study was conducted to assess the parameter impacts on the voltage response. The sensitivity study covers the parameters that are tuned using event measurements. The process to estimate the parameters uses the particle-swarm optimization algorithm. Overall, the performance of the tuned model more accurately captures recovery voltage, delayed recovery, and settling voltage than its predecessor models while not being overly tuned so that it remains general for peak summer conditions.

dynamic load modeling↗

DOE OSTI2026

A Machine Learning based Approach of Estimating Equivalent Circuit Model Parameters at Different SoCs of Li-ion Batteries from Voltage Relaxation

Abstract: In this study, an approach of estimating the equivalent circuit model (ECM) parameters for Li-ion batteries (LIBs) is proposed based on the voltage value at different intervals while relaxing the LIB after discharge. The typical approach for estimating ECM parameters of a LIB is to conduct electrochemical impedance spectroscopy (EIS) measurements at different frequencies and fit them to a predefined circuit model, which requires additional measuring arrangements and specialized devices. The proposed methodology utilizes four different voltages at 0s, 60s, 360s, and 1800s alongside the specific state of charge (SoC) value for a specific constant discharge current value of ~1C until the relaxation stage to train and evaluate three regression-based machine learning models— Support Vector Regression (SVR), Extreme Gradient Boosting (XGBoost), and Gaussian Process Regression (GPR)—for estimating the ECM parameters of the selected model. Bayesian optimization is employed for hyperparameter tuning to achieve optimal performance for all the regressor models, among which, the GPR provided the best performance with the root-mean-squared error (RMSE) of less than 4x10-4 on average for the resistive components and less than 0.27 for capacitive components with excellent R2 scores. The simplicity of the approach enables it to eliminate the need for sophisticated measuring equipment and computation power.

Sagar, Md. Samiul [The University of Alabama (UA)]↗

NASA NTRS1977

A simulation of air pollution model parameter estimation using data from a ground-based LIDAR remote sensor

One way to obtain estimates of the unknown parameters in a pollution dispersion model is to compare the model predictions with remotely sensed air quality data. A ground-based LIDAR sensor provides relative pollution concentration measurements as a function of space and time. The measured sensor data are compared with the dispersion model output through a numerical estimation procedure to yield parameter estimates which best fit the data. This overall process is tested in a computer simulation to study the effects of various measurement strategies. Such a simulation is useful prior to a field measurement exercise to maximize the information content in the collected data. Parametric studies of simulated data matched to a Gaussian plume dispersion model indicate the trade offs available between estimation accuracy and data acquisition strategy.

Kibler, J. F.↗

DOE OSTI2023

Systems and methods for enhanced sequential power system model parameter estimation

A system for enhanced sequential power system model calibration is provided. The system is programmed to store a model of a device. The model includes a plurality of parameters. The system is also programmed to receive a plurality of events associated with the device, receive a first set of calibration values for the plurality of parameters, generate a plurality of sets of calibration values for the plurality of parameters, for each of the plurality of sets of calibration values, analyze a first event of the plurality of events using a corresponding set of calibration values to generate a plurality of updated sets of calibration values, analyze the plurality of updated sets of calibration values to determine a current updated set of calibration values, and update the model to include the current updated set of calibration values.

Wang, Honggang↗

DOE OSTI2021

Assessment of model parameters in MFiX particle-in-cell approach

The limitations in numerical treatment of solids-phase in conventional methods like Discrete Element Model and Two-Fluid Model have facilitated the development of alternative techniques such as Particle-In-Cell (PIC). However, a number of parameters are involved in PIC due to its empiricism. In this work, global sensitivity analysis of PIC model parameters is performed under three distinct operating regimes common in chemical engineering applications, viz. settling bed, bubbling fluidized bed and circulating fluidized bed. Simulations were performed using the PIC method in Multiphase Flow with Interphase eXchanges (MFiX) developed by National Energy Technology Laboratory (NETL). A non-intrusive uncertainty quantification (UQ) based approach is applied using Nodeworks to first construct an adequate surrogate model and then identify the most influential parameters in each case. This knowledge will aid in developing an effective design of experiments and determine optimal parameters through techniques such as deterministic or statistical calibration.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2002

Multi-Variable Model-Based Parameter Estimation Model for Antenna Radiation Pattern Prediction

A new procedure is presented to develop multi-variable model-based parameter estimation (MBPE) model to predict far field intensity of antenna. By performing MBPE model development procedure on a single variable at a time, the present method requires solution of smaller size matrices. The utility of the present method is demonstrated by determining far field intensity due to a dipole antenna over a frequency range of 100-1000 MHz and elevation angle range of 0-90 degrees.

Deshpande, Manohar D.↗

NASA NTRS1980

Estimation of Kalman filter model parameters from an ensemble of tests

A methodology for estimating initial mean and covariance parameters in a Kalman filter model from an ensemble of nonidentical tests is presented. In addition, the problem of estimating time constants and process noise levels is addressed. Practical problems such as developing and validating inertial instrument error models from laboratory test data or developing error models of individual phases of a test are generally considered.

Gibbs, B. P.↗

NASA NTRS2011

Enhancing Global Land Surface Hydrology Estimates from the NASA MERRA Reanalysis Using Precipitation Observations and Model Parameter Adjustments

The Modern-Era Retrospective analysis for Research and Applications (MERRA) is a state-of-the-art reanalysis that provides. in addition to atmospheric fields. global estimates of soil moisture, latent heat flux. snow. and runoff for J 979-present. This study introduces a supplemental and improved set of land surface hydrological fields ('MERRA-Land') generated by replaying a revised version of the land component of the MERRA system. Specifically. the MERRA-Land estimates benefit from corrections to the precipitation forcing with the Global Precipitation Climatology Project pentad product (version 2.1) and from revised parameters in the rainfall interception model, changes that effectively correct for known limitations in the MERRA land surface meteorological forcings. The skill (defined as the correlation coefficient of the anomaly time series) in land surface hydrological fields from MERRA and MERRA-Land is assessed here against observations and compared to the skill of the state-of-the-art ERA-Interim reanalysis. MERRA-Land and ERA-Interim root zone soil moisture skills (against in situ observations at 85 US stations) are comparable and significantly greater than that of MERRA. Throughout the northern hemisphere, MERRA and MERRA-Land agree reasonably well with in situ snow depth measurements (from 583 stations) and with snow water equivalent from an independent analysis. Runoff skill (against naturalized stream flow observations from 15 basins in the western US) of MERRA and MERRA-Land is typically higher than that of ERA-Interim. With a few exceptions. the MERRA-Land data appear more accurate than the original MERRA estimates and are thus recommended for those interested in using '\-tERRA output for land surface hydrological studies.

Reichle, Rolf↗

DOE OSTI2023

Estimating and Calibrating DER Model Parameters Using Levenberg–Marquardt Algorithm in Renewable Rich Power Grid

The proliferation of inverter-based distributed energy resources (IBDERs) has increased the number of control variables and dynamic interactions, leading to new grid control challenges. For stability analysis and designing appropriate protection controls, it is important that IBDER models are accurate. This paper focuses on the accurate estimation and parameter calibration of DER_A, a recently proposed aggregated IBDER model. In particular, we focus on the parameters of the reactive power–voltage regulation module. We formulate the problem of parameter tuning as a non-linear least square minimization problem and solve it using the Levenberg–Marquardt (LM) method. The LM method is primarily chosen due to its flexibility in adaptively selecting between the steepest descent and Gauss–Newton methods through a damping parameter. The LM approach is used to minimize the error between the actual measurements and the estimated response of the model. Further, the computational challenges posed by the numerical calculation of the Jacobian are tackled using a quasi-Newton root-finding approach. The proposed method is validated on a real feeder model in the northeastern part of the United States. The feeder is modeled in OpenDSS and the measurements thus obtained are fed to the DER_A model for calibration. The simulation results indicate that our approach is able to successfully calibrate the relevant model parameters quickly and with high accuracy, with a total sum of square error of 3.57 × 10 –7 .

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1975

Kalman filter estimation of human pilot-model parameters

The parameters of a human pilot-model transfer function are estimated by applying the extended Kalman filter to the corresponding retarded differential-difference equations in the time domain. Use of computer-generated data indicates that most of the parameters, including the implicit time delay, may be reasonably estimated in this way. When applied to two sets of experimental data obtained from a closed-loop tracking task performed by a human, the Kalman filter generated diverging residuals for one of the measurement types, apparently because of model assumption errors. Application of a modified adaptive technique was found to overcome the divergence and to produce reasonable estimates of most of the parameters.

Schiess, J. R.↗

NASA NTRS1972

Estimation of nonlinear pilot model parameters including time delay.

Investigation of the feasibility of using a Kalman filter estimator for the identification of unknown parameters in nonlinear dynamic systems with a time delay. The problem considered is the application of estimation theory to determine the parameters of a family of pilot models containing delayed states. In particular, the pilot-plant dynamics are described by differential-difference equations of the retarded type. The pilot delay, included as one of the unknown parameters to be determined, is kept in pure form as opposed to the Pade approximations generally used for these systems. Problem areas associated with processing real pilot response data are included in the discussion.

Schiess, J. R.↗