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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 91 records · Page 5

Modeling the Far-infrared Polarization Spectrum of a High-mass Star-forming Cloud

The polarization spectrum, or wavelength dependence of the polarization fraction, of interstellar dust emission provides important insights into the grain alignment mechanism of interstellar dust grains. We investigate the far-infrared polarization spectrum of a realistic simulated high-mass star-forming cloud under various models of grain alignment and emission. We find that neither a homogeneous grain alignment model nor a grain alignment model that includes collisional dealignment is able to produce the falling spectrum seen in observations. On the other hand, we find that a grain alignment model with grain alignment efficiency dependent on local temperature is capable of producing a falling spectrum that is in qualitative agreement with observations of OMC-1. For the model most in agreement with OMC-1, we find no correlation between the temperature and the slope of the polarization spectrum. However, we do find a positive correlation between the column density and the slope of the polarization spectrum. We suggest this latter correlation to be the result of wavelength-dependent polarization by absorption.

79 ASTRONOMY AND ASTROPHYSICS↗

ssys

`ssys` is a Python toolkit for exact algebraic transformation of ordinary differential equation (ODE) models into canonical S-system or Generalized Mass Action (GMA) form. Given a model in Antimony or SBML format, `ssys` produces a mathematically equivalent representation. The transformation introduces auxiliary variables as needed to decompose a broad class of nonlinearities into products of power-law terms. The recast is exact: the original and transformed systems have identical dynamics on the invariant constraint manifold defined by auxiliary variable definitions, given consistent initial conditions.

Hlavacek, William [Los Alamos National Laboratory]↗

Model Evaluation Protocol for Fire Models Involving Fuels at Liquefied Natural Gas Facilities (Version 2)

This document provides a description of the model evaluation protocol (MEP) for pool fires, jet fires, and fireballs involving liquefied natural gas (LNG) and processing fuels at LNG facilities. The purpose of the MEP is to provide procedures regarding the assessment of a model’s suitability to predict heat flux from fires. Three components, namely, a scientific assessment, model verification, and model validation comprise the MEP. The evaluation of a model satisfying these three components is to be documented in the form of a model evaluation report (MER). Discussion of models for the prediction of fire, detailed information on each of the three MEP components, the MEP procedure regarding new versions of previously approved models, and the format of the model evaluation report (MER) are provided.

03 NATURAL GAS↗

Benchmarking the exponential ansatz for the Holstein model

Polarons are quasiparticles formed as a result of lattice distortions induced by charge carriers. The single-electron Holstein model captures the fundamentals of single polaron physics. We examine the power of the exponential ansatz for the polaron ground-state wavefunction in its coupled cluster, canonical transformation, and (canonically transformed) perturbative variants across the parameter space of the Holstein model. Our benchmark serves to guide future developments of polaron wavefunctions beyond the single-electron Holstein model.

Chemistry↗

A parallel-kinetic-perpendicular-moment model for magnetised plasmas

We describe a new model for the study of weakly collisional, magnetised plasmas derived from exploiting the separation of the dynamics parallel and perpendicular to the magnetic field. This unique system of equations retains the particle dynamics parallel to the magnetic field while approximating the perpendicular dynamics through a spectral expansion in the perpendicular degrees of freedom, analogous to moment-based fluid approaches. In so doing, a hybrid approach is obtained that is computationally efficient enough to allow for larger-scale modelling of plasma systems while eliminating a source of difficulty in deriving fluid equations applicable to magnetised plasmas. We connect this system of equations to historical asymptotic models and discuss advantages and disadvantages of this approach, including the extension of this parallel-kinetic-perpendicular moment beyond the typical region of validity of these more traditional asymptotic models. This paper forms the first of a multi-part series on this new model, covering the theory and derivation, alongside demonstration benchmarks of this approach that include shocks and magnetic reconnection.

astrophysical plasmas↗

Observer-Based Nonlinear Control Scheme to Reduce Oscillations and Zero Crossing in Skid-Steer Vehicles

Motion sickness is a common condition experienced by drivers of skid-steer vehicles, primarily caused by zero crossing and oscillations in undamped systems. This study proposes an observer-based nonlinear control scheme to reduce transient oscillations and zero-crossing phenomena in skid-steer vehicles, thereby potentially alleviating motion sickness. Reducing transient oscillations and zero crossing in the transient response may alleviate motion sickness. A nonlinear damping controller is designed to improve transient response by reducing oscillations and zero-crossing. To design the controller, a reduced-order kinematic model based on coordinate transformation is developed. This transformation not only converts the system modeling into a controllable form but also enhances control performance. Modeling error is addressed by considering the distance between the center of the vehicle and the sensor location. Despite these improvements, model uncertainties and external disturbances remain, which may degrade control performance. To ensure robustness and estimate such disturbances, a high-order sliding mode observer (HOSMO) is incorporated. The effectiveness of the proposed method is validated through MATLAB/Simulink and TruckMaker simulations. From the simulation results, it was shown that the proposed method reduced the mean squared error of the tracking error to within 10 % compared to the state feedback controller with the HOSMO.

Seo, Jiwon [Chung-Ang University, Seoul (Korea, Re↗

Unified Model of Current-Limiting Grid-Forming Inverters for Large-Signal Analysis

Grid-forming (GFM) inverters can hardly withstand any overloading. As such, GFM inverters need a current limiter in their control system to avoid hardware damage during overloading or grid disturbances. When the current limiter is engaged for inverter protection, however, it dynamically changes the inverter output impedance, which can significantly affect the system behavior against large disturbances. For example, when the current limiter curtails the output power, the primary controller of the GFM inverter-which generates the voltage and angle reference-is prone to losing synchronization with the grid. This can cause large-signal instability in the network. This paper presents a unified GFM current-limiter model to gain a deeper understanding of the impact of the GFM inverter current limiting on large-signal instability and other system behaviors. The unified model captures several well-known current limiters for GFM inverters, and it reveals their large-signal equivalence characterized by the limiter angle. We use the unified model to present in-depth insights into the driving forces that cause large-signal instability in GFM inverter-driven grids. Further, this paper illustrates that the unified model can be used as a tool for assessing the system-level impacts of various GFM current-limiter designs during grid disturbances. Using numerical, analytical, electromagnetic transient models, and a hardware setup, the validity of the unified model is evaluated.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High Time Resolution Modelled and Measured New Particle Formation Rates During the 2023 Pittsburgh, PA Campaign

Particle size distributions are used to calculate nucleation rates during new particle formation (NPF). However, the low time resolution and poor sensitivity of instruments deployed to observe particle size distributions can lead to inaccurate estimates of nucleation rates. We calculated nucleation rates in Pittsburgh, PA from particle size distributions measured with the new high time resolution Condensation Particle Counters For Atmospheric Rapid Measurements (CPC FARM) and from gas precursor concentrations measured with a chemical ionization mass spectrometer. The CPC FARM nucleation rates were calculated by examining the appearance rate of particles in the smallest size bin at 1.6 nm. The nucleation rate of 1.6 nm determined every second resulted in positive and negative rates, indicating the influence of inhomogeneous mixing and advection of precursor gases and clusters. These effects are not currently considered when estimating nucleation rates from measurements. The nucleation rates from the CPC FARM were compared to the nucleation rates determined from a transient acid‐base reaction model using measured sulfuric acid concentration, strong base concentrations, and CPC detection efficiencies. The transient form of the model allowed the advection of heterogeneously mixed precursors to influence the nucleation rate. Good agreement between particle and gas‐based nucleation rates is observed during sulfuric acid‐driven NPF events. This study demonstrates that high time resolution measurements of short‐lived and rapidly formed particles are needed to accurately capture nucleation rates, which are likely influenced by advection of nucleation precursors and clusters in heterogeneous environments such as urban areas.

Cheng, D. [Carnegie Mellon Univ., Pittsburgh, PA (↗

Modified 316H constitutive model updated with high temperature stress relaxation test data

This report describes the calibration of a new high temperature constitutive model for 316H stainless steel, suitable for use with the ASME Boiler & Pressure Vessel Section III, Division 5, Class A rules for design by inelastic analysis. The model retains the same mathematical form used by the reference model included in Nonmandatory Appendix Z of the Code, but refits the model to an expanded dataset including all the data used to fit the original model plus seven new stress relaxation tests. The addition of these high temperature stress relaxation tests improves the model's accuracy in predicting relaxation at temperatures greater than 700 ⁰C, without compromising the accuracy of the model versus the original calibration data.

36 MATERIALS SCIENCE↗

Convergence Criteria for Multiphysics Simulations

The behavior of engineered systems is often influenced by multiple physical phenomena, such as mechanical deformation, heat transfer, and chemical species transport and reactions. There are often strong interactions between these phenomena, and there is increasing interest in applying coupled-physics models to improve understanding of physical behavior under complex environmental conditions. Multiple simulation frameworks that facilitate coupled-physics simulations are in widespread use, and these employ a variety of techniques to account for interactions between those physics. Many frameworks solve the physics models independently and transfer results between them. Alternatively, a single monolithic system of equations for every physics model can be formed and solved. Each of these approaches has its benefits and drawbacks, and the optimal approach varies depending on the nature of the problem. The open-source MOOSE framework was developed targeting solution of large-scale multiphysics problems. Although it provides options for all these coupling approaches, its standard approach for multiphysics solutions is to form and solve a single monolithic system of equations containing the unknowns for all physics models. MOOSE provides a streamlined approach for users to define the solution variables, the terms in the partial differential equations pertaining to each variable, and interactions between solution variables. One aspect of the monolithic solution approach that can be problematic, however, is defining appropriate convergence criteria for the nonlinear system. A standard approach is to determine convergence is to simply take a norm of the residual vector corresponding to the full vector of unknowns. However, if the residual vector contains variables for multiple physics models, the magnitudes of those variables can differ significantly, and the variables can converge at significantly different rates from each other. It is important to ensure that the variables for each of the physics are converged, and also ensure that the convergence criteria are not excessively stringent in cases when there is little change in the solution. This talk presents representative multiphysics problems to highlight these issues, and shows strategies for convergence criteria in MOOSE that are robust for multiphysics models under a variety of conditions.

97 - MATHEMATICS AND COMPUTING↗

Particle Filter Based Inference Testing

The primary intent of PAR-FIT (Particle Filter based Inference Testing) is to provide hard inductive evidence that a machine learning model is capable and proven for an individual test input. By examining training data used to form the underlying model functional correlation, an estimate of the reliability that a model will make the correct prediction can be made. The Sequential Probability Ratio Test is used to derive a qualitative evaluation for reliability based on hypothesis testing. The PAR-FIT framework achieves this by implementing a particle filter and the sequential probability ratio test algorithms on the machine learning model training data to determine relevancy of new individual test samples to the training dataset. The kernel function evaluates the local proximity and density of training data used to derive a prediction outcome. Particles are used to probabilistically determine which training data to evaluate for proximity. For test samples that are within a close proximity to and surrounded by multiple training data points, the evaluated reliability of the prediction is high. For test samples that are anomalies not represented by the training dataset, in low density data clusters, or are far from existing data points, the evaluated reliability is low as insufficient training evidence exists to suggest the model is capable of making the correct prediction. Sequential Probability Ratio Test is further used to determine when a hypothesis on whether a signal can be rejected or accepted for use. The ratio test collects sequence information from the particle filter to test whether the signal is anomalous or normal via hypothesis testing of the underlying distributions.

Chen, Edward [Idaho National Laboratory (INL), Ida↗

$Ξ$ 𝑏 → $Ξ$ form factors from lattice QCD and standard-model predictions for $Ξ$ 𝑏 → $Ξ$⁢𝜇 + ⁢𝜇 − and $Ξ$ 𝑏 → $Ξ$⁢𝛾 decays

We present the first lattice QCD determination of the $Ξ$ 𝑏 → $Ξ$ vector, axial-vector, and tensor form factors, which are relevant for the theory of rare decays including $Ξ$ 𝑏 → $Ξ$⁢ℓ + ⁢ℓ − and $Ξ$ 𝑏 → $Ξ$⁢𝛾. The calculation is performed with 2+1 flavors of domain-wall fermions at three different lattice spacings and pion masses in the range from approximately 430 to 230 MeV. The bottom quark is implemented using an anisotropic clover action. Three-point functions with a wide range of source-sink separations and model averaging are used to extract the ground-state contributions. We fit the dependence of the form factors on the momentum transfer, the pion mass, and the lattice spacing using modified 𝑧 expansions that account for subthreshold branch cuts, and apply dispersive bounds and asymptotic behavior constraints to achieve controlled uncertainties in the full semileptonic kinematic region. Using our form factor results, we present standard model predictions for the $Ξ$$^{−}_{𝑏}$ → $Ξ$ − ⁢𝛾 and $Ξ$$^{−}_{𝑏}$ → $Ξ$ − ⁢𝜇 + ⁢𝜇 − branching fractions and two angular observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Updating and Refining BISON TRISO Assessment

Several advanced reactor concepts consider tristructural isotropic (TRISO) fuel in their designs. To support the advanced reactor industry, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program within the U.S. Department of Energy (DOE) is developing modeling and simulation capabilities within the BISON fuel performance code. Assessment of these capabilities against available experi- mental data, such as the Advanced Gas Reactor (AGR) program, is essential in instilling confidence in the code predictions. Associated uncertainties in model inadequacy, experimental measurements, and manufacturing are also of importance. This report discusses the updating and standardization of the existing assessment suite in BISON for TRISO fuel performance analysis. The cases considered the AGR-1, AGR-2, and AGR-3/4 experimental programs. The report also includes a preliminary investigation into the sources of model inadequacy associated with silver (Ag) release fractions using the AGR-2 Compact 2-1-2 as a case study. The results indicate that uncertainties in the operating temperatures supplied to the model and the form of those temperature conditions (spatially averaged versus spatially resolved) both affect Ag release predictions. This suggests that previously observed model inadequacy can be attributed to both physical models and the operating conditions supplied to them. These findings will be leveraged to guide development of assessment cases for additional experiments and refinement of physical models for behaviors that potentially influence Ag release, such as palladium penetration.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High y + Shear-Stress Turbulence Implementation for High Flux Isotope Reactor Narrow Channel Flows

The research objective of this work was to improve the engineering predictions of the turbulence characteristics of flows in curved narrow channels. Such channel flows are commonly encountered in nuclear research and test reactors, with one of them being the high-flux isotope reactor (HFIR). Research reactors bear high heat fluxes, and the proper computing of turbulence is paramount for safe and reliable reactor operation. The study builds on the results of a previous direct numerical simulation of turbulence to inform a well-known Reynolds-averaged Navier–Stokes shear-stress turbulence model and improves its accuracy in simulating parallel channel flows. A new formulation of the loss term in the dissipation conservation equation is suggested. Combined with high wall distance computational grids, the new implementation provides a fast-running flow solution, suitable for engineering purposes. Model generalization for parallel channel flows, in a broader range of frictional Reynolds numbers, is suggested by introducing a new form of the model constants.

CFD↗

Towards Better Modeling the Probability of Hydrogen Ignition

It is paramount to accurately access the risk of facilities and machinery that use hydrogen. Towards this effort, this report surveys and compares existing models for the ignition of unintended hydrogen releases, typically leaks. These models are primarily formed on expert experience and perhaps a few points of data. As such, this report provides suggestions for improvement in ignition probability modeling, both in terms of experimentation and incident collection as well as modeling.

08 HYDROGEN↗

FY24: LEMMs: Long-term, Electrochemical Materials degradation Models

FY24 progress for LEMMs: Long-term, Electrochemical Materials degradation Models LDRD project are presented. Significant progress toward creating validated corrosion models was made in this FY paving success in future FY’s for success with battery model development and validation. Specifically, models for various forms of corrosion were probed for sensitivities showing a significant influence of reactive transport parameters for hydroxide species on the run time of the models. Further, cryo-genic time-of-flight secondary ion mass spectroscopy was utilized to map ions in a frozen corrosion droplet showing the precipitates/precipitate species near corroding locations. Additionally, a realistic corrosion droplet was created that accounted for evaporation and condensation coupled with corrosion. This pushes the boundary of corrosion modeling and will be validated in future FY’s.

36 MATERIALS SCIENCE↗

Studying the Impact of IBR Modeling on the Commonly Applied Transmission Line Protective Elements

It is a well-accepted fact that detailed inverter-based resource (IBR) models are needed for electromagnetic transient (EMT) studies, especially for protection studies and protection designs. However, it is not clear which modeling aspects should be included in the EMT model to accurately represent the IBR fault responses. Therefore, this paper addresses this gap by evaluating the impact of key modeling aspects (DC source, inverter model, power control, current/voltage control, and current limiting) on the response of protective relay elements both qualitatively and quantitatively. Both grid-following (GFL) and grid-forming (GFM) IBR models are comprehensively evaluated through a simplified real-world transmission network by varying the IBR modeling aspects, fault locations, and types. The insights and findings from this paper will benefit the power system protection community because this work provides modeling requirements and guidelines for IBR modeling so that correct IBR models will be used for protection scheme settings design.

grid-following inverter↗

Impact of Limited Degree of Freedom Drag Coefficients on a Floating Offshore Wind Turbine Simulation

The worldwide effort to design and commission floating offshore wind turbines (FOWT) is motivating the need for reliable numerical models that adequately represent their physical behavior under realistic sea states. However, properly representing the hydrodynamic quadratic damping for FOWT remains uncertain, because of its dependency on the choice of drag coefficients (dimensionless or not). It is hypothesized that the limited degree of freedom (DoF) drag coefficient formulation that uses only translational drag coefficients causes mischaracterization of the rotational DoF drag, leading to underestimation of FOWT global loads, such as tower base fore-aft shear. To address these hydrodynamic modeling uncertainties, different quadratic drag models implemented in the open-source mid-fidelity simulation tool, OpenFAST, were investigated and compared with the experimental data from the Offshore Code Comparison Collaboration, Continued, with Correlation (OC5) project. The tower base fore-aft shear and up-wave mooring line tension were compared under an irregular wave loading condition to demonstrate the effects of the different damping models. Two types of hydrodynamic quadratic drag formulations were considered: (1) member-based dimensionless drag coefficients applied only at the translational DoF (namely limited-DoF drag model) and (2) quadratic drag matrix model (in dimensional form). Based on the results, the former consistently underestimated the 95th percentile peak loads and spectral responses when compared to the OC5 experimental data. In contrast, the drag matrix models reduced errors in estimates of the tower base shear peak load by 7–10% compared to the limited-DoF drag model. The underestimation in the tower base fore-aft shear was thus inferred be related to mischaracterization of the rotational pitch drag and the heave motion/drag by the limited-DoF model.

17 WIND ENERGY↗