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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Simulation, Challenge Testing and Validation of Solutions for Residential and Commercial Occupancy Sensing/Counting and CO2 Sensing (Final Report)

Carbon dioxide sensors used for monitoring and control applications in buildings are known to be sensitive to long term drift and can be affected by variations in temperature, humidity, other gas interferents, pressure and other factors that cannot be corrected through the typical auto-calibration methods often embedded in the sensor electronics. This investigation was part of the Category D defined in the ARPA-E Saving Energy Nationwide in Structures With Occupancy Recognition (SENSOR) Financial Assistance Funding Opportunity Announcement No. DE-FOA-0001737, FFDA No. 81.135, January 18, 2017. The FOA defined target criteria for the evaluation of the Category C commercial CO2 sensors selected for review and development through the ARPA-E SENSOR program and charged the Iowa State Category D team with developing an evaluation methodology for Category C sensors in accordance with these criteria. As part of the work, the Iowa State team chose to engage the standards community in the development of the evaluation methodology. Standard development work in the D22.05 Indoor Air and D22.03 Ambient Atmospheres and Source Emissions subcommittees of ASTM International Committee D22 on Air Quality on the evaluation of low cost sensors and provision of guidance for using indoor carbon dioxide concentrations to evaluate indoor air quality and ventilation is of particular relevance to the Category D efforts. To date, three draft standards with specific input by the Iowa State Category D team have passed the subcommittee balloting stage and are being balloted in December 2022 and January 2023 in the main D22 committee. In addition to the aforementioned standards to which the PI was a contributing author, intellectual property developed in this project pertaining to “An Automated System for Evaluation of the Long Term Performance of Carbon Dioxide Sensors” and “An Automated Ground Truth System for Real-Time Reliability Assessment, Capture of Control Decisions and Energy Savings Measurements for Occupancy Recognition Systems and Other Applications” are the other major deliverables of the project. These standards and the developed intellectual property are expected to benefit the public in a number of ways stemming from their provision of means to benchmark the performance of carbon dioxide and other sensor systems. In particular, there is high interest in techniques to demonstrate the performance of low-cost carbon dioxide sensors which can be used for typical HVAC applications (e.g., demand controlled ventilation, outdoor and indoor air monitoring, estimation of occupancy, etc.).

42 ENGINEERING↗
DOE OSTI2025

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling

This project focussed on two aspects of computational modeling with a view toward application for photovoltaic design: (i) increased reliability of exchange-correlation functionals in time-dependent density functional theory (TDDFT) (a method of choice of the calculation of electronic spectra and dynamics), especially for time-resolved non-perturbative dynamics, and (ii) the development of a practical but rigorously-based method for coupling electronic and nuclear motion via the exact-factorization (EF) approach (a relatively new framework for developing approximations).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Broad frequency tuning of a Nb$_{3}$Sn superconducting microwave cavity for dark matter searches

We demonstrate a novel broad-frequency tuning mechanism for superconducting microwave cavities designed for dark matter searches. Using a Nb$_3$Sn-coated cigar-shaped cavity operating at approximately 9 GHz, we achieve continuous frequency tuning exceeding 1 GHz by mechanically separating the two cavity halves: a "tuning-by-opening" technique. Finite-element method simulations predict that radiative losses do not degrade the quality factor even for large openings, as a closed cavity with an intrinsic quality factor of $10^7$ maintains this value for apertures up to 9 mm, corresponding to a tuning range from 9.0 to 7.5 GHz. Experimental validation using both copper ring spacers and a continuous sliding mechanism confirms $Q_0$ values exceeding the dark matter quality factor across the entire explored frequency range, despite mechanical imperfections and film non-uniformities. This tuning approach avoids inserting elements into the resonant volume, making it particularly suitable for high-Q superconducting cavities in axion haloscope experiments and readily applicable to REBCO-based implementations capable of operating in multi-tesla magnetic fields.

Maiello, D. [Padua U.; INFN, Padua] (ORCID:0009000↗
DOE OSTI2022

Traffic safety analysis and model updating for freeways using Bayesian method

Freeway crash prediction models are the basic of traffic safety research, yet crash occurrence and the influencing factors change over time. In order to make sure the implemented safety models fit the current traffic environment, this study conducts a comparative analysis of 2017 and 2020 datasets collected from freeways in Suzhou, China. Herein, considering the spatial correlation among analysis units and the hierarchical data structure, a Bayesian conditional autoregressive negative binomial (CAR-NB) model and a Bayesian hierarchical CAR-NB (HCAR-NB) model were used to explore the safety influencing factors, and a traditional NB model was developed for further comparison. To update the HCAR-NB model from 2017 to 2020, Bayesian inference with informative priors was used to improve its goodness of fit and efficiency. Preliminary results showed that 1) the HCAR-NB model outperformed the NB model and CAR-NB model in prediction accuracy, and 2) the number of crashes was significantly correlated with average speed, speed variance, road segment length, number of lanes, and presence of ramps. The potential for safety improvement (PSI) method was applied to the modeling results to identify hotspots for the two years. The results confirmed that the hotspots spatiotemporally shifted among the freeways. The proposed crash prediction model and updating method are expected to assist implementation of informed countermeasures for freeway safety improvement.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Preliminary description of a new creep-fatigue design method that reduces over conservatism and simplifies the high temperature design process

The report provides the initial description of a new creep-fatigue design method for structural components in high temperature nuclear service. The new method is based on an integrated elastic-perfectly plastic (EPP) analysis and Simplified Model Test (SMT) approach that reduces over conservatism, improves the treatment of elastic follow up, and simplifies the design procedure, when compared with the current creep-fatigue design methods in ASME Boiler and Pressure Vessel Code. Developing the design charts for the EPP-SMT design method requires extrapolating SMT test data as a function of hold time and follow up factor. The report develops the preliminary design charts for Alloy 617 at temperatures between 800°C and 950°C by combining two extrapolation approaches developed in a previous work. The report also presents a comparative analysis between the EPP-SMT design method and the current ASME creep-fatigue design methods by evaluating design life of two sample geometries under different loading conditions. Results from the comparative analysis verify the EPP-SMT design charts but suggest the requirement of additional test data in the low strain range regime for improving the extrapolation procedure that will further reduce the over conservatism in the creep-fatigue damage evaluation. The report also concludes that the EPP-SMT design procedure can account for effect of primary load on creep-fatigue life by using a fixed, bounding value of follow up in constructing the design charts. The conclusions to this report describe the future work required to complete this new design method so it can be codified through a nuclear Code Case.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Breaking Barriers in Chalcogenide Perovskite Synthesis: A Generalized Framework for Fabrication of BaMS 3 (M═Ti, Zr, Hf) Materials

Abstract Chalcogenide perovskites have garnered increasing attention as stable, non‐toxic alternatives to lead halide perovskites. However, their conventional synthesis at high temperatures (>1000 °C) has hindered widespread adoption. Recent studies have developed low‐to‐moderate temperature synthesis methods (<600 °C) using reactive precursors, yet a comprehensive understanding of the pivotal factors affecting reproducibility and repeatability remains elusive. This study delineates the critical factors in the low‐temperature synthesis of BaMS 3 (M═Zr, Hf, Ti) compounds and presents a generalized framework. Innovative approaches are developed for synthesizing BaMS 3 compounds using this framework involving organometallics for solution deposition. The molecular precursor routes, employing metal acetylacetonates to generate soluble metal–sulfur bonded complexes and metal–organic compounds to produce soluble metal‐thiolate, metal‐isothiocyanate, and metal‐trithiocarbonate species, are demonstrated to yield carbon‐free BaMS 3 . These methods have achieved the most contiguous films of BaZrS 3 and BaHfS 3 using solution deposition to date. Furthermore, a hybrid solution processing method involving stacking sputter‐deposited Zr and solution‐deposited BaS layers is employed to synthesize a contiguous, oxygen‐free BaZrS 3 film. The diffuse reflectance measurements indicate a direct bandgap of ≈ 1.85 eV for the BaZrS 3 films and ≈ 2.1 eV for the BaHfS 3 film under investigation.

25 ENERGY STORAGE↗
DOE OSTI2022

Model Choice Metrics to Optimize Profile-QSAR Performance

Predicting molecular activity against protein targets is difficult because of the paucity of experimental data. Approaches like multitask modeling and collaborative filtering seek to improve model accuracy by leveraging results from multiple targets, but are limited because different compounds are measured with different assays, leading to sparse data matrices. Profile-QSAR (pQSAR) 2.0 addresses this problem by fitting a series of partial least squares models for each target, using as features the predictions from single-task models on the remaining targets. Here, this method has been shown to produce better results than single task and multitask models. However, the factors determining the success of pQSAR 2.0 have as yet not been characterized. In this paper we examine the experimental conditions that lead to better pQSAR models. We limit the amount of data available to the method by retraining with decreasing amounts of data and explore the model’s ability to generalize to compounds that have never been assayed. Finally, we look at the properties of training data needed to demonstrate pQSAR improvement.

Biological and medical sciences, Computer science↗
DOE OSTI2020

Estimating region-specific fuel economy in the United States from real-world driving cycles

Here we describe a method for estimating region-specific real-world light-duty vehicle fuel economy in the United States that is unique in both the size and representativeness of real-world driving that was considered, and for its ability to model regional variations in driving patterns. Over one million miles of national driving data were used to select real-world cycles representative of observed trip categories. The six cycles were compared to U.S. legislative cycles, revealing some key differences. Finally, a set of cycle weighting factors for 533 separate U.S. regions was derived from annual traffic statistics. Applying this method, it was found that regional fuel economy varies due to differences in driving patterns alone and that rural driving patterns lead to improved fuel economy (for conventional vehicles). The driving cycles and regional weighting factors described here are useful for testing and simulation studies, specifically those sensitive to regional variations in driving patterns.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Robust Predictive Control for Modular Solid-State Transformer With Reduced DC Link and Parameter Mismatch

This paper presents the analysis and implementation of a predictive control method for dc-link regulation and voltage balance in a cascaded modular reduced dc-link solid-state transformer (SST). Passive components like bulky dc links limit the power density of power converters, especially medium-voltage (MV) SST. Reduced dc-link or low-inertia converters can dramatically reduce the size, cost, and weight by tolerating larger dc-link ripples and improve the reliability with electrolytic capacitor-less dc link. However, a small dc link leads to tight coupling between the input and the output stages, which is a challenge for control design. In stacked low-inertia converters (SLIC), the low-inertia converter modules are stacked for MV applications, resulting in coupling between the modules and making the control more challenging. A new model predictive control method which can achieve deadbeat regulation on the dc link without weighting factors has been proposed to address this novel problem. This paper focuses on analyzing the condition of the low-inertia dc link up to 80% ripple, the robustness of the control under parameter mismatches, high-order terms, and important implementation issues such as model-based sampling and computation delay compensation. Significantly, the high-order terms are introduced because of the large dc-link ripple. These high-order terms are unique to the SLIC and negligible in conventional high-inertia converters. A discrete-time large-signal model is built to capture the dc-link’s nonlinear dynamics, and the eigenvalues of a small-signal Jacobian matrix are analyzed with Floquet theory to evaluate stability, using the modular soft-switching solid-state transformer (M-S4T) as an example of the SLIC. Simulation and experimental results of an MVDC M-S4T verify the analysis and the predictive control method. Finally, the general application of the predictive control to low-inertia converters is compared against a conventional PI controller using a reduced dc-link active-front-end (AFE) rectifier as an example.

14 SOLAR ENERGY↗
DOE OSTI2022

Modeling the Electronic Absorption Spectra of the Indocarbocyanine Cy3

Accurate modeling of optical spectra requires careful treatment of the molecular structures and vibronic, environmental, and thermal contributions. The accuracy of the computational methods used to simulate absorption spectra is limited by their ability to account for all the factors that affect the spectral shapes and energetics. The ensemble-based approaches are widely used to model the absorption spectra of molecules in the condensed-phase, and their performance is system dependent. The Franck–Condon approach is suitable for simulating high resolution spectra of rigid systems, and its accuracy is limited mainly by the harmonic approximation. In this work, the absorption spectrum of the widely used cyanine Cy3 is simulated using the ensemble approach via classical and quantum sampling, as well as, the Franck–Condon approach. The factors limiting the ensemble approaches, including the sampling and force field effects, are tested, while the vertical and adiabatic harmonic approximations of the Franck–Condon approach are also systematically examined. Our results show that all the vertical methods, including the ensemble approach, are not suitable to model the absorption spectrum of Cy3, and recommend the adiabatic methods as suitable approaches for the modeling of spectra with strong vibronic contributions. We find that the thermal effects, the low frequency modes, and the simultaneous vibrational excitations have prominent contributions to the Cy3 spectrum. The inclusion of the solvent stabilizes the energetics significantly, while its negligible effect on the spectral shapes aligns well with the experimental observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Correlating Surface Processing of Nb Superconducting RF Cavities with the Evolution of Surface Electronic States

Superconducting-radio frequency (RF) cavities provide an efficient way to accelerate particle beams with extremely high acceleration gradients while generating very small power dissipation. The few nanometers of the surface play a critical role in defining the RF performance of superconducting Nb based cavities. Over the past two decades, several pioneering surface treatment and processing methods have emerged, enabling remarkable improvements in superconducting cavity performance by simultaneously achieving high quality factors with increasing maximum acceleration gradients. These processing approaches include chemical polishing, distinct multi-step thermal treatments under ultra-high vacuum (UHV) conditions over low to high temperature regimes, as well as high-temperature treatments under controlled nitrogen atmospheres. Beyond their macroscopic impact on RF performance, these methods produce distinct surface oxide configurations characterized by different valence states, oxide thicknesses, chemical uniformity, and oxygen concentration profiles extending into the near-surface bulk of niobium. In this work, we are trying to understand how the surface-processing methods and the resulting oxide/oxygen profiles affect the electronic structure of surface and the mechanism of superconductivity. Using a combination of X-ray photoemission and X-ray absorption spectroscopies, we investigate how the valence-band structure and the electronic density of states (DoS) near the Fermi level evolve under different surface treatments. By employing tunable photon energies across multiple elemental absorption edges, we use resonant photoemission to disentangle and identify the elemental contributions to specific valence-band features. Our observations show that different surface-processing methods lead to distinct temperature evolutions of the DoS and valence-band states near the Fermi level. Our results suggest variations in different Nb-O orbital hybridizations in distinct processes and point towards the possibility of different underlying mechanisms of superconductivity governed by surface chemistry and oxide configuration. We also correlate these distinct superconducting mechanisms with RF cavity performance, specifically focusing on measured surface resistance, the nature of the Q-slope, and quench fields observed in superconducting RF measurements. These results will enable us to identify the potential limiting factors and relevant controllable parameters that can be further optimized to improve the performance of superconducting RF cavities.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2022

Nomogram for Predicting Postoperative Portal Venous Systemic Thrombosis in Patients with Cirrhosis Undergoing Splenectomy and Esophagogastric Devascularization

Objectives. The aim of the study is to develop a nomogram for predicting postoperative portal venous systemic thrombosis (PVST) in patients with cirrhosis undergoing splenectomy and esophagogastric devascularization. Methods. In total, 195 eligible patients were included. Demographic characteristics were collected, and the results of perioperative routine laboratory investigations and ultrasound examinations were also recorded. Blood cell morphological traits, including the red cell volume distribution width (RDW), mean platelet volume, and platelet distribution width, were identified. Univariate and multivariate logistic regressions were implemented for risk factor filtration, and an integrated nomogram was generated and then validated using the bootstrap method. Results. A color Doppler abdominal ultrasound examination on a postoperative day (POD) 7 (38.97%) revealed that 76 patients had PVST. The results of the multivariate logistic regression suggested that a higher RDW on POD3 (RDW3) (odds ratio (OR): 1.188, 95% confidence interval (CI): 1.073–1.326), wider portal vein diameter (OR: 1.387, 95% CI: 1.203–1.642), history of variceal hemorrhage (OR: 3.407, 95% CI: 1.670–7.220), and longer spleen length (OR: 1.015, 95% CI: 1.001–1.029) were independent risk parameters for postoperative PVST. Moreover, the nomogram integrating these four parameters exhibited considerable capability in PVST forecasting. The nomogram’s receiver operating characteristic curve reached 0.83 and achieved a sensitivity and specificity of 0.711 and 0.848, respectively, at its cutoff. The nomogram’s calibration curve demonstrated that it was well calibrated. Conclusion. The nomogram exhibited excellent performance in PVST prediction and might assist surgeons in identifying vulnerable patients and administering timely prophylaxis.

Chen, Miao↗
DOE OSTI2023

Role of the Porras factor in phase matching of high-order harmonic generation driven by focused few-cycle laser pulses

We investigate the role of the Porras factor (or laser focusing effect) on the macroscopic high-order harmonic generation (HHG) driven by a focused broadband few-cycle laser beam. By employing a non-adiabatic phase-matching analysis method, we reveal that phase mismatch due to the induced-dipole phase varies with the Porras factor, which is dominant in phase matching at low gas pressure. We also find that in a strongly ionized medium when gas pressure is high, the nonlinear propagation is dominated by a plasma effect such that the focusing effect is mitigated, resulting in similar poor phase matching of HHG regardless of the Porras factor. Our results are expected to assist experimentalists identifying optimal conditions for HHG using ultrashort laser pulses.

Optics↗
DOE OSTI2024

Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions

Embedded correlated wavefunction (ECW) theory is a powerful tool for studying ground- and excited-state reaction mechanisms and associated energetics in heterogeneous catalysis. Several factors are important to obtaining reliable ECW energies, critically the construction of consistent active spaces (ASs) along reaction pathways when using a multireference correlated wavefunction (CW) method that relies on a subset of orbital spaces in the configuration interaction expansion to account for static electron correlation, e.g., complete AS self-consistent field theory, in addition to the adequate partitioning of the system into a cluster and environment, as well as the choice of a suitable basis set and number of states included in excited-state simulations. Here, in this work, we conducted a series of systematic studies to develop best-practice guidelines for ground- and excited-state ECW theory simulations, utilizing the decomposition of NH 3 on Pd(111) as an example. We determine that ECW theory results are relatively insensitive to cluster size, the aug-cc-pVDZ basis set provides an adequate compromise between computational complexity and accuracy, and that a fixed-clean-surface approximation holds well for the derivation of the embedding potential. Additionally, we demonstrate that a merging approach, which involves generating ASs from the molecular fragments at each configuration, is preferable to a creeping approach, which utilizes ASs from adjacent structures as an initial guess, for the generation of consistent potential energy curves involving open-d-shell metal surfaces, and, finally, we show that it is essential to include bands of excited states in their entirety when simulating excited-state reaction pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A Comparative Study of Layer Heating and Continuous Heating Methods on Prediction Accuracy of Residual Stresses in Selective Laser Melted Tube Samples

Thermal distortion and residual stresses are two important factors that affect the quality and reliability of steel parts manufactured by laser powder bed fusion (LPBF) processes. A cost-effective model for evaluation of those heat effects is needed to refine the manufacturing process and provides insights into the product design and heat treatment. In this study, the layer heating method and sophisticated track-layer scanning method were applied to simulate the thermo-mechanical response of IN625 tube parts built by LPBF. Based on the similarity of temperature field in each layer deposit, a swept mesh was constructed to perform the thermal analysis for top layer, with the rest of layers referring to the temperature by node number offsetting. A novel explicit finite element analysis code accelerated by graphics processing unit was used for the massive-element numerical analysis. The computational accuracy and efficiency of the layer heating and track-layer scanning methods were compared in detail. It is shown that layer heating method can efficiently capture the pattern of stress distribution with reasonable accuracy in stress magnitude. The grouped track-layer scanning method can predict the residual stress and strain more accurately at a higher cost (5 ~ 10×). The elastic strain distribution was compared with the measurement by X-ray diffraction, confirming the accuracy of residual stress prediction.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Realizable hyperuniform and nonhyperuniform particle configurations with targeted spectral functions via effective pair interactions

The capacity to identify realizable many-body configurations associated with targeted functional forms for the pair correlation function $g_2(r)$ or its corresponding structure factor $\textit{S(k)}$ is of great fundamental and practical importance. While there are obvious necessary conditions that a prescribed structure factor at number density ρ must satisfy to be configurationally realizable, sufficient conditions are generally not known due to the infinite degeneracy of configurations with different higher-order correlation functions. A major aim of this paper is to expand our theoretical knowledge of the class of pair correlation functions or structure factors that are realizable by classical disordered ensembles of particle configurations, including exotic “hyperuniform” varieties. We first introduce a theoretical formalism that provides a means to draw classical particle configurations from canonical ensembles with certain pairwise-additive potentials that could correspond to targeted analytical functional forms for the structure factor. This formulation enables us to devise an improved algorithm to construct systematically canonical-ensemble particle configurations with such targeted pair statistics, whenever realizable. As a proof of concept, we test the algorithm by targeting several different structure factors across dimensions that are known to be realizable and one hyperuniform target that is known to be nontrivially unrealizable. Our algorithm succeeds for all realizable targets and appropriately fails for the unrealizable target, demonstrating the accuracy and power of the method to numerically investigate the realizability problem. Subsequently, we also target several families of structure-factor functions that meet the known necessary realizability conditions but are not known to be realizable by disordered hyperuniform point configurations, including $\textit{d}$-dimensional Gaussian structure factors, $\textit{d}$-dimensional generalizations of the two-dimensional one-component plasma (OCP), and the $\textit{d}$-dimensional Fourier duals of the previous OCP cases. Moreover, we also explore unusual nonhyperuniform targets, including “hyposurficial” and “antihyperuniform” examples. In all of these instances, the targeted structure factors are achieved with high accuracy, suggesting that they are indeed realizable by equilibrium configurations with pairwise interactions at positive temperatures. Remarkably, we also show that the structure factor of nonequilibrium perfect glass, specified by two-, three-, and four-body interactions, can also be realized by equilibrium pair interactions at positive temperatures. In this work, our findings lead us to the conjecture that any realizable structure factor corresponding to either a translationally invariant equilibrium or nonequilibrium system can be attained by an equilibrium ensemble involving only effective pair interactions. Our investigation not only broadens our knowledge of analytical functional forms for $g_2(r)$ and $\textit{S(k)}$ associated with disordered point configurations across dimensions but also deepens our understanding of many-body physics. Moreover, our work can be applied to the design of materials with desirable physical properties that can be tuned by their pair statistics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Pushing the Limits of Pulse Shape Discrimination in a Large Liquid Xenon Detector

The LUX-ZEPLIN (LZ) experiment is a direct-detection dark matter experiment, optimized to search for weakly interacting massive particles (WIMPs) through WIMP-nucleon interactions. The main challenge in dark matter detection is differentiating between WIMP signals and background events. In LZ, the ratio of ionization to scintillation signals (charge-to-light) is the primary method for rejecting electronic recoil (ER) background. Pulse shape discrimination (PSD) offers a method for additional ER backgrounds rejection in liquid xenon detectors. In this paper, the discrimination power of PSD with the LZ experiment is discussed. To precisely characterize the scintillation pulse shape, an analysis framework is developed to reconstruct the detection time of individual photons. Using LZ calibration data, the photon-timing prompt fraction discriminator is optimized and achieves ER leakage as low as $15\%$. For specific background processes such as $^{124}$Xe double electron capture, the leakage is reduced further to about $5\%$. PSD is combined with charge-to-light to form two-factor discrimination (TFD). The optimized TFD performance is compared with the performance of the charge-to-light method, with the corresponding false positive rate reduced by up to a factor of two for large scintillation pulses. Finally, PSD and TFD are applied to data from LZ's WS2024 run and their performance is summarized.

Akerib, D. S. [SLAC; KIPAC, Menlo Park]↗
DOE OSTI2025

A two-level GPU-accelerated incomplete LU preconditioner for general sparse linear systems

This paper presents a parallel preconditioning approach based on incomplete LU (ILU) factorizations in the framework of Domain Decomposition (DD) for general sparse linear systems. We focus on distributed memory parallel architectures, specifically, those that are equipped with graphic processing units (GPUs). In addition to block-Jacobi, we present general purpose two-level ILU Schur complement-based approaches, where different strategies are presented to solve the coarse-level reduced system. These strategies are combined with modified ILU methods in the construction of the coarse-level operator, in order to effectively remove smooth errors by targeting an algebraically smooth vector. We leverage available GPU-based sparse matrix kernels to accelerate the setup and the solve phases of the proposed ILU preconditioner. We evaluate the efficiency of the proposed methods as a smoother for algebraic multigrid (AMG) and as a preconditioner for Krylov subspace methods on challenging anisotropic diffusion problems and a collection of general sparse matrices.

97 MATHEMATICS AND COMPUTING↗