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DOE OSTI2026

Uncertainty quantification for Joule heating processes in fibrous pore-resolved media

Joule heating (JH) is an energy-efficient and sustainable technique for heating materials. Its application for industrial heating, particularly, has been gaining attention due to its potential for increasing the yield of various chemical products. The process involves the use of heating elements (materials that are highly conductive electrically and thermally) to heat up other materials or substances. These conductors, however, can exhbit varying degrees of uncertainty due to non-linearities in their temperature-dependent properties, which could result in variable material behavior. In this work, we carry out uncertainty quantification (UQ) at the pore scale to describe the uncertainty of such materials. In so doing, we applied the non-intrusive polynomial chaos expansion (PCE) technique to quantify the uncertainty within the system. The steady state Joule heating equation was solved numerically at the pore scale mimicking conditions within a heating chamber for propane dehydrogenation, and various electro-thermal profiles were obtained. We also examined the effect of the number of sampling points (20 – 100) and order of the PCE coefficients (2 – 5) on the accuracy of the temperature evaluations. The results were then benchmarked with the standard Monte Carlo (MC) method. The average temperature of the 4th-order global PCE showed good agreement with the MC results (which were positively skewed). Orders greater than 4 gave an underestimation of the temperatures while predictions for the peak temperature improved as the number of sampling points increased.

Fagbemi, Samuel [ORNL] (ORCID:0000000236995025)↗

DOE OSTI2024

A High-Performance Discrete-Element Framework for Simulating Flow and Jamming of Moisture Bearing Biomass Feedstocks

We developed and verified a high-performance open-source discrete element method (DEM) solver with simultaneously-supported feedstock-specific interaction models, including bonded-sphere, liquid bridge, cohesion, and non-linear contact models. Our solver uses parallel data structures on hybrid central and graphics processing unit (CPU/GPU) architectures, with favorable strong scaling performance observed for large problem sizes comprised of (100 M particles), and 4X single-node GPU speedup. The particles for corn stover feedstock were conceptualized and calibrated based on experimental measurements and results. Sensitivity analyses demonstrate that the mass flow rate from a wedge hopper is governed primarily by moisture content, friction coefficient, and cohesion energy density. The model is used to reproduce experimentally observed hopper jamming results, highlighting that the experimental no-flow trends can only be achieved by using non-spherical particles, liquid bridge and cohesion models, highlighting the importance of using concurrent feedstock specialized models for the effective representation of biomass material handling problems.

bioenergy↗

DOE OSTI2026

Machine Learning–Augmented Laser-Induced Breakdown Spectroscopy for Spectral Discrimination of Iron Oxalates

Enhanced characterization and phase identification of post-PUREX Pu Oxalates (PuOXA) are pivotal for nonproliferation and pre-detonation nuclear forensics. Despite significant advances in the characterization of PuO 2 samples, little is known about the impact of both the chemical structure and oxidation states of PuOXA (i.e., Pu(III) and Pu(IV)) have on optical emission signatures. Here, we demonstrate the analytical capabilities of laser-induced breakdown spectroscopy (LIBS) applied to Fe(II) and Fe(III) oxalate samples as surrogates for PuOXA, highlighting the discriminating features in the LIBS emission spectra arising from differences in the oxidation states within mixed FeOXA samples. We report the enhancement of spectral feature selection using Principal Component Analysis (PCA), which enables the analytical superiority of machine learning algorithms such as Linear Discriminant Analysis (LDA), Quadratic Discriminant Analysis (QDA), Partial Least Squares Regression (PLSR), Support Vector Regression (SVR), and Random Forest Regression (RFR) over conventional univariate techniques for phase discrimination and chemometric analysis. Cluster analysis revealed how both matrix effects and laser ablation influence cluster separability by introducing spectral artifacts that misdirect the maximization of variance. PCA-selected emission lines were used in the regression models, demonstrating that both univariate and multivariate linear regression models (i.e., PLSR and SVR) can achieve acceptable performance, with machine learning models outperforming conventional calibration regressions. Furthermore, the application of non-linearly activated PCA-selected emission lines illustrates how simplifying the data while retaining captured variance enables the use of less complex and more computationally efficient models. Furthermore, this is particularly evident in the underperformance of RFR, which suffers from increased computational costs and overfitting owing to its high complexity.

Oxalates↗

DOE OSTI2025

Measuring and unbiasing the BAO shift in the Ly α forest with AbacusSummit

ABSTRACT The Dark Energy Spectroscopic Instrument (DESI) places sub- per cent constraints on measurements of the Baryon Acoustic Oscillation (BAO) scaling parameters from the Ly $\alpha$ forest. However, no systematic error budget stemming from non-linearities in the three-dimensional clustering of the Ly $\alpha$ forest is included in the DESI-Ly $\alpha$ analysis. In this work, we measure the size of the shift of the BAO peak using large Ly $\alpha$ forest mocks produced on the N-body simulation suite AbacusSummit, which adopt the Fluctuating–Gunn–Peterson Approximation (FGPA). Specifically, we measure the Ly $\alpha$ autocorrelation and the Ly $\alpha$-quasar cross-correlation functions. To mitigate the noise, we adopt a linear control variates technique, reducing the error bars by a factor of up to $\sim \sqrt{50}$ on large scales. From the autocorrelation, we detect a small positive shift in radial direction of $\Delta \alpha _{\parallel }= 0.35~{{\ \rm per\ cent}}$ at the 3$\sigma$ level and virtually no shift in the transverse direction, $\alpha _\perp$. From the cross-correlation, we see a similar shift to $\Delta \alpha _\parallel$, albeit with larger error bars, and a small negative shift, $\Delta \alpha _{\perp }=\sim$0.25 per cent, at the 2$\sigma$ level. We also make a connection with the Ly $\alpha$ forest effective field theory (EFT) framework and find that the one-loop EFT power spectrum yields unbiased measurements of the BAO shift parameters in radial and transverse direction for Ly $\alpha$ auto- and the Ly $\alpha$-quasar cross-correlation measurements. When using the one-loop EFT framework, we find that we can recover the BAO parameters without a shift, which has important implications for future Ly $\alpha$ forest analyses based on EFT. This work paves the way for novel full-shape analyses of the currently observing DESI and future surveys such as the PFS, WEAVE-QSO, and 4MOST.

Hadzhiyska, Boryana↗

DOE OSTI2025

MLSPICE: Machine Learning based SPICE Modeling Platform for Power Magnetics

Electrical power converters are critical to a wide range of applications ranging from renewable integration to transportation electrification, and can be a key factor determining the size, weight, and efficiency of energy conversion systems. Magnetic components are typically the largest and least efficient components in power electronics. While there have been major strides in the modeling and analysis of power semiconductor devices and circuit simulations, the necessary advances in the design of power magnetics have lagged. In this project, we have transformed the modeling and design of power magnetics with machine learning enabled methods and catalyze simultaneous disruptive improvements for ML-based power electronics design tools. A fully automated open-source machine learning based magnetics modeling platform – the MagNet project - with innovations in full stack have been developed to greatly accelerate the design process and provide new insights to magnetic material and geometry design. The ARPA-E funded MagNet platform contains three major building blocks: 1) a ML-Integrated Data Acquisition System (MIDAS): a highly automated data acquisition testbed which is capable of measuring a large number of magnetic cores with a wide range of electrical circuit excitations; 2) a ML-integrated Core Loss Model (MICLM): a machine-learning trained modeling method for modeling the core loss and saturation effects of magnetic materials for arbitrary excitation waveforms; 3) ML-guided Magnetics SPICE Simulation Tool (PMSPICE): a fully integrated CAD tool which can simulate the magnetics in SPICE. It can help the designers to quickly model the linear and non-linear characteristics of magnetic components and evaluate their behavior in SPICE simulations. The developed MagNet system has fully demonstrated the proposed performance target and has been open sourced to the entire power electronics community to advance the modeling and design of power magnetics from many different angles.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Spectrally Stabilized Interface Capturing Formulation and Implementation in Nek5000/NekRS

This report documents the formulation of a novel level-set method for incompressible two-phase flows in the continuous Galerkin (CG) high order spectral element framework. The overall method hinges on a novel implementation of the spectral vanishing viscosity (SVV) operator for the stabilization of linear/non-linear hyperbolic problems. The multidimensional SVV convolution kernels, which in essence, have a similar effect as a high pass filter applied to the derivatives, are formulated by exploiting the tensor product form, analogous to the construction of the usual stiffness matrix system. The resulting kernels are directionally decoupled and ensure a linear, symmetric positive definite, elliptic matrix operator. The SVV formulation is demonstrated to provide a robust stabilizing mechanism through challenging linear and non-linear hyperbolic problems, including problems pertinent to the level-set formulation. The two-phase framework conceptualized herein is based on the conservative level-set (CLS) method which represents the interface between the fluids by the 0.5 iso-contour of the smoothed Heaviside function. The CLS method is augmented with a preconditioning procedure for interface normals using the signed distance function which precludes the manifestation of spurious oscillations in the vicinty of the interface. Further, the existing mixed explicit-implicit approach for the solution of Navier-Stokes equations in Nek5000, as described in Tomboulides et al, is augmented with a pressure coefficient splitting approach for the Poisson equation, which greatly accelerated the convergence of pressure solver for two-phase systems with large density ratio. The robustness and accuracy of the overall two-phase method is demonstrated through canonical challenging problems involving high density and viscosity ratios, with and without surface tension. The two-phase formulation is wholly implemented in Nek5000 and the SVV stabilization method is implemented in NekRS, which is the essential precursor to the two-phase framework, undergoing active development.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Technical note: A modified formulation of dynamic energy budget theory for faster computation of biological growth

Abstract. The mass conservation equation in the presence of boundary fluxes and chemical reactions from non-equilibrium thermodynamics is used to derive a modified dynamic energy budget (mDEB) model. Compared to the standard dynamic energy budget (sDEB) model (Kooijman, 2009), this modified formulation does not place the dilution effect in the mobilization kinetics of reserve biomass, and it maintains the partition principle for reserve mobilization dynamics for both linear and non-linear kinetics. Overall, the mDEB model shares most features with the sDEB model. However, for biological growth that requires multiple nutrients, the mDEB model is computationally much more efficient by not requiring numerical iterations for obtaining the specific growth rate. In an example of modeling the growth of Thalassiosira weissflogii in a nitrogen-limiting chemostat, the mDEB model was found to have almost the same accuracy as the sDEB model while requiring almost half of the computing time of the sDEB model. Since the sDEB model has been successfully applied in numerous studies, we believe that the mDEB model can help improve the modeling of biological growth and the associated ecosystem processes in various contexts.

Tang, Jinyun↗

NASA NTRS1973

Synthesis of a non-linear feedback system with significant plant-ignorance for prescribed time-domain tolerances

The problem considered is the design of a feedback system containing a linear, time invariant, minimum phase plant, whose parameters are known only within given bounds, such that the time response of the system remains within specified limits. A quasi-optimal design, for given design constraints, is one which minimizes the effect of white sensor noise on the input to the plant. An investigation was conducted on the use of the non linear device known as the Clegg integrator in the design of such a system. The describing function of the Clegg integrator has the same magnitude characteristic, apart from a scale factor, as the linear integrator, but has 52 deg less phase-lag, at all frequencies, than the linear integrator; thus, when used in a feedback system, it provides a larger stability margin than the linear integrator. This property allows the nonlinear feedback system to be designed so that the sensor noise is attenuated more than in the linear design.

Krishnan, K. R.↗

NASA NTRS1976

The calculation of steady non-linear transonic flow over finite wings with linear theory aerodynamics

The feasibility of calculating steady mean flow solutions for nonlinear transonic flow over finite wings with a linear theory aerodynamic computer program is studied. The methodology is based on independent solutions for upper and lower surface pressures that are coupled through the external flow fields. Two approaches for coupling the solutions are investigated which include the diaphragm and the edge singularity method. The final method is a combination of both where a line source along the wing leading edge is used to account for blunt nose airfoil effects; and the upper and lower surface flow fields are coupled through a diaphragm in the plane of the wing. An iterative solution is used to arrive at the nonuniform flow solution for both nonlifting and lifting cases. Final results for a swept tapered wing in subcritical flow show that the method converges in three iterations and gives excellent agreement with experiment at alpha = 0 deg and 2 deg. Recommendations are made for development of a procedure for routine application.

Cunningham, A. M., Jr.↗

NASA NTRS1975

Transfer function verification and block diagram simplification of a very high-order distributed pole closed-loop servo by means of non-linear time-response simulation

Linear frequency domain methods are inadequate in analyzing the 1975 Viking Orbiter (VO75) digital tape recorder servo due to dominant nonlinear effects such as servo signal limiting, unidirectional servo control, and static/dynamic Coulomb friction. The frequency loop (speed control) servo of the VO75 tape recorder is used to illustrate the analytical tools and methodology of system redundancy elimination and high order transfer function verification. The paper compares time-domain performance parameters derived from a series of nonlinear time responses with the available experimental data in order to select the best possible analytical transfer function representation of the tape transport (mechanical segment of the tape recorder) from several possible candidates. The study also shows how an analytical time-response simulation taking into account most system nonlinearities can pinpoint system redundancy and overdesign stemming from a strictly empirical design approach. System order reduction is achieved through truncation of individual transfer functions and elimination of redundant blocks.

Mukhopadhyay, A. K.↗

NASA NTRS1977

Dynamical theory of stability for elastic rods with nonlinear curvature and twist

Considering non-linear terms in the curvature as well as in the twist, the governing boundary value problem for lateral bending of elastic, transverse loaded rods is formulated by means of Hamilton's principle. Using the method of small vibrations, the associated linearized equations of stability are derived, which complete the currently accepted relations. The example of the simplest lateral bending problem illustrates the improved effect of the proposed equations.

Wauer, J.↗

NASA NTRS1978

A digital strategy for manometer dynamic enhancement

Application of digital signal processing techniques to improve the non-linear dynamic characteristics of a sonar-type mercury manometer is described. The dynamic enhancement strategy quasi-linearizes the manometer characteristics and improves the effective bandwidth in the context of a wind-tunnel pressure regulation system. Model identification data and real-time hybrid simulation data demonstrate feasibility of approach.

Stoughton, J. W.↗

NASA NTRS1981

Determination of the potential in a synodic system

Determination of the potential field in a fixed (inertial) system may be accomplished by the solution of a homogeneous linear partial differential equation when a family of orbits of a body moving in the field is given. This partial differential equation was presented and thoroughly analyzed earlier. The present paper discusses the same problem in a rotating system where the centrifugal and Coriolis effects render the pertinent partial differential equation in general non-homogeneous and non-linear. A linear, though non-homogeneous, partial differential equation for the determination of the synodic potential is obtained only in the special case of iso-energetic families of orbits.

Szebehely, V.↗

NASA NTRS1983

Development of monofilar rotor hub vibration absorber

A design and ground test program was conducted to study the performance of the monofilar absorber for vibration reduction on a four-bladed helicopter. A monofilar is a centrifugal tuned two degree-of-freedom rotor hub absorber that provides force attenuation at two frequencies using the same dynamic mass. Linear and non-linear analyses of the coupled monofilar/airframe system were developed to study tuning and attenuation characteristics. Based on the analysis, a design was fabricated and impact bench tests verified the calculated non-rotating natural frequencies and mode shapes. Performance characteristics were measured using a rotating absorber test facility. These tests showed significant attenuation of fixed-system 4P hub motions due to 3P inplane rotating-system hub forces. In addition, detuning effects of the 3P monofilar modal response were small due to the nonlinearities and tuning pin slippage. However, attenuation of 4P hub motions due to 5P inplane hub forces was poor. The performance of the 5P monofilar modal response was degraded by torsional motion of the dynamic mass relative to the support arm which resulted in binding of the dynamic components. Analytical design studies were performed to evaluate this torsional motion problem. An alternative design is proposed which may alleviate the torsional motion of the dynamic mass.

Duh, J.↗

NASA NTRS1985

The HEAO-2 Guest Investigator Program: Non-linear growth of instabilities in line-driven stellar winds

The linear instability of line-driven stellar winds to take proper account of the dynamical effect of scattered radiation were analyzed. It is found that: (1) the drag effect of the mean scattered radiation does greatly reduce the contribution of scattering lines to the instability at the very base of the wind, but the instability growth rate associated with such lines rapidly increases as the flow moves outward from the base, reaching more than 50% of the growth rate for pure absorption lines within a stellar radius of the surface, and eventually reaching 80% of that rate at large radii; (2) perturbations in the scattered radiation field may be important for the propagation of wind disturbances, but they have little effect on the wind instability; and (3) the contribution of strongly shadowed lines to the wind instability is often reduced compared to that of unshadowed lines, but their overall effect is not one of damping in the outer parts of the wind. It is concluded that, even when all scattering effects are taken into account, the bulk of the flow in a line-driven stellar wind is still highly unstable.

Rybicki, G. B.↗

NASA NTRS1987

Non-linear analysis of symmetric structures with unsymmetric boundary conditions

Two computational techniques are developed analytically to generate global approximation vectors for use in the nonlinear large-deflection analysis of symmetric structures with asymmetric boundary conditions. One method is based on linear combinations of FEM-generated symmetric and antisymmetric vector components, while the other employs a preconditioned-conjugate-gradient technique. The derivation of the procedures is explained in detail, and their effectiveness is evaluated in sample computations for an elliptic toroid and a cylindrical panel; the results are presented in tables and graphs and characterized.

Noor, Ahmed K.↗

NASA NTRS1987

Effect of wave localization on plasma instabilities

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Levedahl, William Kirk↗

DOE OSTI2026

Adaptive Control for Load-Following of Boiling Water Reactors Part I: Linear Systems and Fully-Observable Dynamics

Automation control is a key strategy to improve the economic competitiveness of nuclear power plants. Not only does it help reduce operational costs, but it also extends the value proposition of these plants to nontraditional markets, including unattended operations in remote villages and space. However, the dynamics of the operating environments of nuclear reactors are subject to changes over time, and there are no widely adopted methods to ensure that the automation strategy will remain effective over the extended durations required for these applications. Adaptive control is a discipline that offers the possibility to accommodate such changes online. However, it relies on mathematical assumptions that must be respected to ensure robustness and reliability. In this work, we derive an adaptive control formulation for linear systems in which all states are observable and apply it to an instance of load-follow operation for Boiling Water Reactors. We assumed uncertainty in two factors: the temperature coefficient and the control rod worth, both of which are affected over time by the evolution of the nuclear reactor core environment. With an arbitrary penalty factor of 5, we found that the mean absolute and integral time absolute errors can be reduced by more than 90%, underscoring the strength of adaptive control. To extend the application to more challenges, different uncertainties and load-follow trajectories, as well as new formulations that include non-linearity and partial observability, are currently being developed.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗