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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A multiresolution adaptive wavelet method for nonlinear partial differential equations

We report the multiscale complexity of modern problems in computational science and engineering can prohibit the use of traditional numerical methods in multi-dimensional simulations. Therefore, novel algorithms are required in these situations to solve partial differential equations (PDEs) with features evolving on a wide range of spatial and temporal scales. To meet these challenges, we present a multiresolution wavelet algorithm to solve PDEs with significant data compression and explicit error control. We discretize in space by projecting fields and spatial derivative operators onto wavelet basis functions. We provide error estimates for the wavelet representation of fields and their derivatives. Then, our estimates are used to construct a sparse multiresolution discretization which guarantees the prescribed accuracy. Additionally, we embed a predictor-corrector procedure within the temporal integration to dynamically adapt the computational grid and maintain the accuracy of the solution of the PDE as it evolves. We present examples to highlight the accuracy and adaptivity of our approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Pyomo.DOE: An open-source package for model-based design of experiments in Python

Predictive mathematical models are a cornerstone of science and engineering. Yet selecting, calibrating, and validating said science-based models often remains an art in practice. Model-based design of experiments (MBDoE) provides a systematic framework to maximize information gain from experiments while minimizing time and resource costs. But MBDoE remains limited to niche application areas, in part because practitioners must integrate expertise in statistics, computational optimization, and modeling. To help reduce this barrier, we introduce Pyomo.DOE, an open-source package for MBDoE. Pyomo.DOE uses a nonlinear sensitivity analysis code k_aug to quickly approximate the Fisher information matrix and leverages a new stochastic programming abstraction. We demonstrate Pyomo.DOE with the first application of MBDoE to fixed-bed breakthrough experiments, which highlights the power of Pyomo.DOE to quantify the value of experimental modifications a priori for large-scale partial differential-algebraic equation (PDAE) models. Here we also provide a mathematical primer on MBDoE targeted at general chemical engineers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dynamical responses of constrained pipe conveying fluids and its dependence on the modeling of the contact force

Accurately modeling the impact force used in the analysis of loosely constrained cantilevered pipes conveying fluid is imperative. If little information is known of the motion-limiting constraints used in experiments, the analysis of the system may yield inaccurate predictions. Here in this work, multiple forcing representations of the impact force are defined and analyzed for a cantilevered pipe that conveys fluid. Depending on the representation of the impact force, the dynamics of the pipe can vary greatly when only the stiffness of the constraints is known from experiments. Three gap sizes of the constraints are analyzed, and the representation of the impact force used to analyze the system is found to significantly affect the response of the pipe at each gap size. An investigation on the effects of the vibro-impact force representation is performed through using basin of attraction analysis and nonlinear characterization of the system’s response.

42 ENGINEERING↗
DOE OSTI2025

A Scale‐Adaptive Urban Hydrologic Framework: Incorporating Network‐Level Storm Drainage Pipes Representation

Abstract Below‐ground urban stormwater networks (BUSNs) significantly influence urban flood dynamics, yet their representation at the watershed or larger scales remains challenging. We introduce a scalable urban hydrologic framework that centers on a novel network‐level BUSN representation, balancing the needs for physical basis, parameter parsimony, and computational efficiency. Our framework conceptualizes an urban watershed into four interacting zones: hillslopes (natural), storm‐sewersheds (urban), a sub‐network channel (tributaries), and a main channel. We develop an innovative Graph Theory‐based algorithm to derive network‐level BUSN parameters from publicly available datasets, enabling efficient, scalable parameterization. We demonstrate this framework's applicability at nine representative watersheds in the Houston metropolitan region, USA, with urban imperviousness ranging from 0% to 64% and drainage areas ranging from 24 to 302 . Our model achieves satisfying computational efficiency, completing hourly time step simulations for 18 years in less than 5 sec per watershed on a standard PC. Validation against observed daily streamflow confirms that the model can capture small‐to‐large flood peaks and seasonal and annual water balance over these watersheds. Comparisons with the National Water Model show better performance in predicting flood peaks and overall water balance, underscoring the promises of our new framework for urban hydrologic modeling at large scales. Furthermore, analysis reveals nonlinear relationships between BUSNs' designed capacities and flood reduction effects. Our approach bridges the gap between detailed hydraulic and large‐scale hydrologic models, providing a valuable tool for urban flood prediction and management across broader spatial and temporal scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Analysis of the linear and nonlinear stability of Alfven eigenmodes and fish-bones in JET DT discharges: mode identification and shear flows generation

The plasma in future nuclear fusion reactors will be heated by neutral beam injectors (NBIs) and high frequency electromagnetic waves as well as fusion born alpha particles. Energetic particles (EPs), with energies up to two orders of magnitude larger than the thermal plasma, can trigger EP driven modes and induce harmful EP losses, reducing the plasma heating efficiency and the economical viability of the reactor. The present study is dedicated to analyze the Alfven Eigenmode (AE) activity in JET D–T discharges, the closest experiment to reactor-like operation performed until now. There, EP driven modes are induced by the combined effect of tangential NBIs and ion cyclotron resonance heating (ICRH) driven EP. Linear and nonlinear simulations are performed with the gyro-fluid FAR3d code to analyze the AE activity observed in the discharge 99896. The linear simulations reproduce the unstable n = 3 to 5 toroidal AEs (TAE) at the inner plasma region observed in the experiment, triggered by highly energetic passing deuterium populations injected by the tangential NBIs, further accelerated by the effect of the ICRH up to 1 MeV. In addition, fish-bones triggered by energetic trapped hydrogen induced by the ICRH are also reproduced. On the other hand, the alpha particles density is too small to destabilize AEs in the experiment. Nonetheless, increasing artificially the alpha density by one order of magnitude, an n = 1 beta induced AE can be destabilized in the inner plasma region. Nonlinear simulations indicate the generation of zonal structures during the AE/fish-bone saturation phase. TAE and fish-bones causes a rather weak increase of the passing D and trapped H EP (around 2%), respectively. Shear flows and zonal currents are generated during the saturation of TAE and fish-bones. Nonlinear simulations performed for D–T and pure deuterium thermal plasma indicate AE/fish-bone activity is weaker and shear flows are less intense in the pure deuterium case, trends consistent with the experimental observations that also indicates a deterioration of the thermal plasma confinement. Therefore, both numerical studies and experimental evidence indicate the generation of shear flows by AE/fish-bones could be connected with an improvement of the thermal plasma confinement.

AE↗
DOE OSTI2025

Efficient Streaming Dynamic Mode Decomposition

We propose a reformulation of the streaming dynamic mode decomposition method that requires maintaining a single orthonormal basis, thereby reducing computational redundancy. The proposed efficient streaming dynamic mode decomposition method results in a constant-factor reduction in computational complexity and memory storage requirements. Numerical experiments on representative canonical dynamical systems show that the enhanced computational efficiency does not compromise the accuracy of the proposed method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

High Field Transport in (Ultra) Wide Bandgap Semiconductors: Diamond Versus Cubic GaN

We provide an analysis of nonlinear transport in diamond and cubic GaN (c-GaN) with emphasis on the different types of optical phonon scattering [i.e., optical deformation potential (ODP) scattering versus polar optic phonon (POP) scattering] limiting the carrier velocity. Both types of carrier mobilities and carrier saturation (peak) velocities in diamond and c-GaN as functions of different doping types and concentrations are obtained by directly solving the Boltzmann equation. Our model indicates that the nonrandomizing nature of POP scattering causes carrier temperature cooling, resulting in higher carrier drift velocity than with ODP scattering. This effect, in addition to the small carrier effective masses and large optical phonon energies, is responsible for the higher peak velocities in c-GaN, compared to carrier drift velocity in diamond.

42 ENGINEERING↗
DOE OSTI2022

Surrogate Modeling of Nonlinear Dynamic Systems: A Comparative Study

Surrogate models play a vital role in overcoming the computational challenge in designing and analyzing nonlinear dynamic systems, especially in the presence of uncertainty. This paper presents a comparative study of different surrogate modeling techniques for nonlinear dynamic systems. Four surrogate modeling methods, namely, Gaussian process (GP) regression, a long short-term memory (LSTM) network, a convolutional neural network (CNN) with LSTM (CNN-LSTM), and a CNN with bidirectional LSTM (CNN-BLSTM), are studied and compared. All these model types can predict the future behavior of dynamic systems over long periods based on training data from relatively short periods. The multi-dimensional inputs of surrogate models are organized in a nonlinear autoregressive exogenous model (NARX) scheme to enable recursive prediction over long periods, where current predictions replace inputs from the previous time window. Three numerical examples, including one mathematical example and two nonlinear engineering analysis models, are used to compare the performance of the four surrogate modeling techniques. The results show that the GP-NARX surrogate model tends to have more stable performance than the other three deep learning (DL)-based methods for the three particular examples studied. The tuning effort of GP-NARX is also much lower than its deep learning-based counterparts.

42 ENGINEERING↗
DOE OSTI2021

Alignment tolerance analysis for divided-pulse nonlinear compression

We present an analytic model that describes the output pulse after Kerr-based spectral broadening with divided-pulse nonlinear compression that includes errors in unequal pulse division, birefringent plate retardance, and thermal drift. The model shows that alignment tolerances become impractically tight at high levels of nonlinearity and that the angle of incidence on the birefringent plates can be utilized as a compensator to loosen those tolerances. We present experimental verification of the model, which is expected to be a fast and flexible tool to design future divided-pulse nonlinear compression systems.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Advanced Laboratory and Field Arrays (ALFA)/Lab Collaboration Project (LCP) for Marine Energy (Final Scientific/Technical Report)

The objective of the Advanced Laboratory and Field Arrays (ALFA) project was to reduce the Levelized Cost of Energy (LCOE) of Marine and Hydrokinetic (MHK) energy by leveraging research, development, and testing capabilities at Oregon State University, University of Washington, and the University of Alaska, Fairbanks. ALFA is a project within the Pacific Marine Energy Center (PMEC; formerly NNMREC), a multi-institution entity with a diverse funding base that focuses on research and development for marine renewables. The ALFA project aimed to accelerate the development of next-generation arrays of wave energy conversion (WEC) and tidal energy conversion (TEC) devices through a suite of field-focused R&D activities spanning a broad range of strategic opportunity areas identified in the Funding Opportunity Announcement: • Device and/or array operation and maintenance (O&M) logistics development; • High-fidelity resource characterization and/or modeling technique development and validation; • Array-specific component technology development (e.g. moorings and foundations, transmission, and other offshore grid components); • Array performance testing and evaluation; and • Novel cost-effective environmental monitoring techniques and instrumentation testing and evaluation. The objective of the Lab Collaboration Project (LCP) was to accelerate the development of next-generation marine energy conversion systems. The LCP aimed to achieve these project objectives in collaboration with the national laboratories by: • Developing concept generation and assessment tools; • Improving access to existing testing resources; • Validating collision risk models between fish and turbines; and • Advancing analysis and simulation capabilities for wave-WEC interactions and PTO analysis in nonlinear ocean waves. The ALFA portion of the project was comprised of six overarching technical tasks: • Task 1: Debris Modeling, Detection and Mitigation; • Task 2: Autonomous Monitoring & Intervention; • Task 3: Resource Characterization for Extreme Conditions; • Task 4: Robust Models for Design of Offshore Anchoring and Mooring Systems; • Task 5: Performance Enhancement for Marine Energy Converter (MEC) Arrays; and • Task 6: Evaluating Sampling Techniques for MHK Biological Monitoring. The LCP was divided into four overarching technical tasks: • Task 7: Project Management and Reporting • Task 8: Novel Design and Assessment Methodologies for Wave Energy Converter Design (Wave- SPARC) • Task 9: Testing Access for Commercial Marine Renewable Energy Technology Developers • Task 10: Quantifying Collision Risk for Fish and Turbines • Task 11: Nonlinear Ocean Waves and PTO Control Strategy Each ALFA/LCP task listed above functioned as a separate and discreet project. A final Technical Report was written for each individual task and these reports were uploaded to OSTI, after receiving DOE approval. The following document is a compilation of each of these final, approved reports arranged as individual chapters.

13 HYDRO ENERGY↗
DOE OSTI2025

Solid State Transformer Architecture and Control Compensation for Common Mode Currents

A high-altitude electromagnetic pulse (HEMP) or similar geomagnetic disturbance (GMD) has the potential to impact the operation of large-scale electric power grids. By introducing low-frequency common-mode (CM) currents, these events can degrade the performance of critical system components, such as large power transformers by introducing CM currents which can lead to magnetic saturation of the transformer core. In this work, a solid-state transformer (SST) is developed to replace susceptible equipment and improve grid resiliency by safely absorbing these CM disturbances. This device will be referred to as a common-mode solid-state transformer (CM-SST). An SST architecture based on a four-legged AC/DC converter is developed. This architecture enables active control of CM signals without disturbing the AC voltages or the real and reactive power delivery capabilities. A system-level model of this architecture is created, and time-domain simulations are performed to evaluate the SST’s performance in response to simulated CM disturbances. A control strategy for mitigating CM current is also investigated. Hamiltonian surface shaping and power flow control (HSSPFC) is used to design a nonlinear controller for the SST’s output inverter. The objectives of the controller are to suppress CM-induced AC current offsets and regulate AC currents to desired setpoints. Nonlinear system analysis is applied to design and validate the controller. Two cases are tested: (a) the proposed four-leg inverter and (b) a standard three-leg inverter. The results show that the proposed controller rapidly mitigates CM disturbances while maintaining high-quality AC current waveforms in the four-leg configuration. Finally, the hardware performance of an SST prototype is evaluated. In particular, the ability of the SST to safely redirect and absorb CM currents is demonstrated, showing how it can protect neighboring conventional transformers in the system. The study confirms that appropriate control laws allow the SST to protect both itself and adjacent transformers during a HEMP or GMD event.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Model-Agnostic Algorithm for Real-Time Attack Identification in Power Grid using Koopman Modes

Malicious activities on measurements from sensors like Phasor Measurement Units (PMUs) can mislead the control center operator into taking wrong control actions resulting in disruption of operation, financial losses, and equipment damage. In particular, false data attacks initiated during power systems transients caused due to abrupt changes in load and generation can fool the conventional model-based detection methods relying on thresholds comparison to trigger an anomaly. In this paper, we propose a Koopman mode decomposition (KMD) based algorithm to detect and identify false data attacks in real-time. The Koopman modes (KMs) are capable of capturing the nonlinear modes of oscillation in the transient dynamics of the power networks and reveal the spatial embedding of both natural and anomalous modes of oscillations in the sensor measurements. The Koopman-based spatio-temporal nonlinear modal analysis is used to filter out the false data injected by an attacker. The performance of the algorithm is illustrated on the IEEE 68-bus test system using synthetic attack scenarios generated on GridSTAGE, a recently developed multivariate spatio-temporal data generation framework for simulation of adversarial scenarios in cyber-physical power systems.

Nandanoori, Sai Pushpak↗
DOE OSTI2025

Convergence Analysis of the Alternating Anderson–Picard Method for Nonlinear Fixed-Point Problems

Anderson acceleration (AA) has been widely used to solve nonlinear fixed-point problems due to its rapid convergence. This work focuses on a variant of AA in which multiple Picard iterations are performed between each AA step, referred to as the Alternating Anderson–Picard (AAP) method. Furthermore, despite introducing more “slow” Picard iterations, this method has been shown to be efficient and even more robust in both linear and nonlinear cases. However, there is a lack of theoretical analysis for AAP in the nonlinear case. In this paper, we address this gap by establishing the equivalence between AAP and a multisecant-GMRES method that uses GMRES to solve a multisecant linear system at each iteration. From this perspective, we show that AAP “converges” to the Newton-GMRES method. Specifically, as the residual approaches zero, the multisecant matrix, the approximate Jacobian inverse, the search direction, and the optimization gain of AAP converge to their counterparts in the Newton-GMRES method. These connections provide insights for analyzing the asymptotic convergence properties of AAP. Consequently, we show that AAP is locally 𝑞-linear convergent and provide an upper bound for the convergence factor of AAP. To validate the theoretical results, numerical examples are provided.

Anderson acceleration↗
DOE OSTI2025

JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking

Efficient accelerator modeling and particle tracking are key for the design and configuration of modern particle accelerators. In this work, we present JuTrack, a nested accelerator modeling package developed in the Julia programming language and enhanced with compiler-level automatic differentiation (AD). With the aid of AD, JuTrack enables rapid derivative calculations in accelerator modeling, facilitating sensitivity analyses and optimization tasks. Here we demonstrate the effectiveness of AD-derived derivatives through several practical applications, including sensitivity analysis of space-charge-induced emittance growth, nonlinear beam dynamics analysis for a synchrotron light source, and lattice parameter tuning of the future Electron-Ion Collider (EIC). Through the incorporation of automatic differentiation, this package opens up new possibilities for accelerator physicists in beam physics studies and accelerator design optimization.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Autonomous Nanoparticle Synthesis Guided by In Situ Multiscale Structural Characterization

Autonomous synthesis platforms promise rapid exploration of vast parameter spaces; yet, integrating in situ structural characterization in closed-loop synthesis optimization remains challenging. We demonstrate a realization of such a closed-loop platform coupled with a droplet-flow microreactor, in situ X-ray scattering methods (SAXS/WAXS), and Gaussian process optimization to synthesize citrate-reduced Au nanoparticles with targeted characteristics. The system efficiently explored ∼19,000 synthesis recipes through 365 experiments, achieving precise control over size (4–60 nm) and polydispersity (σ < 0.11) across large citrate/gold ratios, exceeding traditional synthesis boundaries (1–10). Beyond confirming classical Turkevich–Frens trends, partial-dependence analysis revealed strong nonlinear coupling among precursor, citrate, and pH effects. Combining quantitative SAXS/WAXS analysis with electron microscopy characterization, we uncovered that crystallite size (d c ) and particle size (d) follow d c = 0.18d + β, where synthesis chemistry controls the intercept β while maintaining a universal slope. This parallel-band structure enables independent tuning of crystallite domain size at fixed particle diameter through a combination of chloride, gold precursor, citrate, and pH contributions (cross-validated Spearman ρ = 0.7 ± 0.1). High-resolution electron microscopy shows multiple lattice-fringe orientations within single particles, directly confirming polycrystalline domains and the ability to tune d c at the fixed d. The platform’s validation includes indistinguishable static versus flowing measurements, stable droplet transport at 100 °C, and <5% run-to-run variation, establishing a robust framework for mapping and controlling multiscale nanoparticle structure across expansive chemical spaces. In conclusion, the developed closed-loop platform can be applied to a borad range of nanosyntheis processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗