Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Doubling method”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Comparison of Infiltration Test Methods for Soil Health Assessment

Infiltration rate (IR) has been commonly used as a metric to evaluate soil quality and health. For the USDA Soil Quality Test Kit, a 15-cm (6-in) diameter (ID) cylinder is used to measure IR with 444 cm 3 (equivalent to 2.54 cm or 1 in) of water while other standard IR procedures require substantially larger volumes of water. The general objective of this study was to compare different methods for IR measurement. Using three replications, IR measurements were conducted along a 9-m (27-ft) long transect in two different soil types by the double-ring infiltrometer (DRI) using 25- and 50-cm (10-and 20-in, respectively) cylinders, single-ring infiltrometer (SRI) using 25- and 50-cm cylinders, Cornell sprinkle infiltrometer (CSI) using a 24.1-cm (9.5-in) cylinder, the USDA recommended procedure using a 15-cm diameter cylinder (hereafter referred to as USDA-15 method), and a modified USDA method using a 24.1-cm diameter cylinder. Although the USDA-15 method is simple and requires a small amount of water, based on high variability among replications and significant reduction in IR during early stages of water entry into the soil, the procedure does not offer an accurate estimate of the soil infiltration potential. The CSI procedure was reproducible, but it is more cumbersome to perform than other methods. The DRI, SRI, and CSI methods required a much greater volume of water than the USDA-15 method but produced results that are more consistent. The most consistent results were obtained by the CSI and DRI methods. The modified USDA method results were similar to the SRI method and were an improvement over the original USDA-15 method. For assessing soil health, additional investigations should be conducted to evaluate a modified version of the USDA procedure using a larger cylinder.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Robust Iterative Method for Symmetric Quantum Signal Processing in All Parameter Regimes

Here, this paper addresses the problem of solving nonlinear systems in the context of symmetric quantum signal processing (QSP), a powerful technique for implementing matrix functions on quantum computers. Symmetric QSP focuses on representing target polynomials as products of matrices in SU(2) that possess symmetry properties. We present a novel Newton’s method tailored for efficiently solving the nonlinear system involved in determining the phase factors within the symmetric QSP framework. Our method demonstrates rapid and robust convergence in all parameter regimes, including the challenging scenario with ill-conditioned Jacobian matrices, using standard double precision arithmetic operations. For instance, solving symmetric QSP for a highly oscillatory target function α cos(1000x) (polynomial degree ≈ 1433) takes 6 iterations to converge to machine precision when α = 0.9, and the number of iterations only increases to 18 iterations when α = 1 – 10 -9 with a highly ill-conditioned Jacobian matrix. Leveraging the matrix product state structure of symmetric QSP, the computation of the Jacobian matrix incurs a computational cost comparable to a single function evaluation. Moreover, we introduce a reformulation of symmetric QSP using real-number arithmetics, further enhancing the method’s efficiency. Extensive numerical tests validate the effectiveness and robustness of our approach, which has been implemented in the QSPPACK software package.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Establishing Models for Digital Twin of Hydropower Systems Using Probability Density Function Shaping

This paper introduces a digital twin modeling method for hydropower systems with Kaplan turbines using probability density function (PDF) shaping. We first use multilayer perceptron (MLP) model to build the discretized openloop Kaplan unit, where the MLP is trained by historical data. Then we use a proportional integral double derivative (PIDD) controller and a lead-lag exciter to test the obtained digital twin model in a closed-loop fashion. Simulation results show that the proposed digital twin modeling method can accurately capture the dynamics of the Kaplan hydropower unit. Finally, we show that the obtained digital twin can help to optimize the PIDD parameters. Compared with the original PIDD controller, the optimized one can achieve an over 90% improvement on the mean square tracking error.

Yin, Zhun [New York University]↗
DOE OSTI2024

Improved cycle stability and high-rate capability of LiNbO 3 -coated Li 3 VO 4 as anode material for lithium-ion battery

Lithium vanadate (Li 3 VO 4 ) has garnered considerable attention as an alternative negative electrode material for non-aqueous lithium-ion batteries due to its high capacity, energy efficiency, and stable discharge voltage. Nonetheless, the Li 3 VO 4 material displays a low rate capability, attributed mainly to its poor intrinsic electronic conductivity. Here, in this study, we report the synthesis of lithium niobate LiNbO 3 -coated Li 3 VO 4 (LVO@LNO) using a one-pot sol-gel method. The resulting LVO@LNO demonstrates a high reversible capacity of approximately 530 mAh/g, which is more than double that of free Li 3 VO 4 . To explore the effect of the LNO coating process on the morphological and structural properties, Raman, XRD, operando XRD, XPS, SEM and HTEM analyses were conducted. To explain the enhancement of electronic conductivity in our modified material after a LiNbO 3 coating, we conducted an Ex-Situ electrochemical impedance (EIS) and Density Functional Theory (DFT) computational study. Additionally, we designed a full cell utilizing a 1 wt% LNO-coated LVO anode and NMC-811 cathode. The cell yielded an output voltage of approximately 2.8 V with a high initial specific capacity of 350 mAh/g versus to the anode, at 1C with a capacity retention of 85 % after 100 cycles.

25 ENERGY STORAGE↗
DOE OSTI2025

Pressure-Induced Phase Transitions in Bilayer La 3 Ni 2 O 7

La 3 Ni 2 O 7 differs from expectations in part because at ambient pressure, it exists in two polymorphs: an unconventional crystal structure with alternating layers of single- and triple-layered nickel−oxygen octahedra (i.e., La 2 NiO 4 plus La 4 Ni 3 O 10 , with the so-called 1313 crystal structure) and a classical double-layer Ruddlesden−Popper phase (i.e., La 3 Ni 2 O 7 , with the so-called 2222 crystal structure, which dominates at high pressure). In this study, we report the pressure-dependent structural and electrical resistive properties of single crystals of the classical double-layered La 3 Ni 2 O 7 , grown at slightly elevated pressure using the floating-zone method. Structural characterization under pressures up to 15.4 GPa reveals a gradual transition from orthorhombic to tetragonal symmetry that is completed at 12−14 GPa. Additionally, we present pressure and field-dependent electrical resistance measurements up to 27.4 GPa, from which we construct a phase diagram. Although a resistive transition at 80 K is observed at high pressures, the resistive hallmarks of superconductivity are not.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Operando Contactless EFISH Study of the Rate-Determining Step of Light-Driven Water Oxidation on TiO 2 Photoanodes

For many slow solar-fuel-forming reactions, the accumulation of photogenerated minority carriers on the photoelectrode surface leads to light-induced band edge unpinning, affecting the junction properties by decreasing band bending in the semiconductor space charge layer and increasing the driving force of surface reactions in the electric double layer. In this study, we demonstrate a contactless operando electric field-induced second harmonic generation (EFISH) method for measuring the band bending change (δΔΦ SCR L ) on photoelectrodes upon photoexcitation. For ndoped rutile TiO 2 water oxidation photoanodes at pH 7, δΔΦ SCR L increases at more positive potentials or higher illumination power density until it reaches saturation values. We show that under fast mass transport conditions, δΔΦ SCR L is exclusively attributed to the accumulated charged rate-determining species that can be regarded as temporary surface states, and the relationship between the photocurrent and δΔΦ SCR L can be well modeled by assuming that hole trap states function as the reaction center. Kinetic isotope experiments identify proton-coupled electron transfer as the rate-determining step and suggest a possible chemical nature of the key intermediate. We demonstrate that light-induced band edge unpinning is a beneficial feature under high illumination conditions for oxygen evolution reaction on TiO 2 because it maintains the photon-to-current conversion efficiency by enhancing the surface reaction driving force, shedding light on the actual device application.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A deep-learning based raw waveform region-of-interest finder for the liquid argon time projection chamber

The liquid argon time projection chamber (LArTPC) detector technology has an excellent capability to measure properties of low-energy neutrinos produced by the sun and supernovae and to look for exotic physics at very low energies. In order to achieve those physics goals, it is crucial to identify and reconstruct signals in the waveforms recorded on each TPC wire. In this work, we report on a novel algorithm based on a one-dimensional convolutional neural network (CNN) to look for the region-of-interest (ROI) in raw waveforms. We test this algorithm using data from the ArgoNeuT experiment in conjunction with an improved noise mitigation procedure and a more realistic data-driven noise model for simulated events. This deep-learning ROI finder shows promising performance in extracting small signals and gives an efficiency approximately twice that of the traditional algorithm in the low energy region of ~0.03–0.1 MeV. This method offers great potential to explore low-energy physics using LArTPCs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A Novel Protection Scheme for Unbalanced Faults in Inverter Dominated Networks: A Computationally Efficient Algorithm for Entry-Level Relays

Microgrids are now a common practice in distribution systems to increase resilience and reliability. However, microgrid protection remains a critical challenge, considering its requirement to operate in both grid connected and islanded, and the variability in fault characteristics under each mode of operation. This paper presents unbalanced power (S unb ) based fault detection algorithm, which considers local voltage and current unbalances to determine faults in the system. S unb is a computationally efficient fault detection algorithm that is suitable for implementation in the programmable logic of entry level protective relays. In addition, the difference in current and voltage unbalance (D n ) is used to determine the fault type. The proposed method demonstrates high sensitivity and selectivity for line-to-ground (LG), line-to-line (LL), and double line-to-ground (LLG) faults, representing the most common faults in distribution systems. It also allows relay coordination with upstream and downstream protection devices in both island and grid connected operation, while preserving grading margins. The same pickup and time multiplier settings of a particular relay for both modes of operation eliminates the need for adaptive settings, which rely on communication networks. Validation was performed with a hardware-in-the-loop (HIL) setup using Typhoon HIL real time simulator interfaced with three entry-level, SEL 751 relays. Results confirmed the algorithm’s ability to discriminate fault conditions, and determine the fault type under both operating modes, maintain fast detection times, and ensure proper protection coordination.

fault classification↗
DOE OSTI2024

Reconstructing Richtmyer–Meshkov instabilities from noisy radiographs using low dimensional features and attention-based neural networks

We develop an ML-based approach for density reconstruction based on transformer neural networks. This approach is demonstrated in the setting of ICF-like double shell hydrodynamic simulations wherein the parameters related to material properties and initial conditions are varied. The new method can robustly recover the complex topologies given by the Richtmyer-Meshkoff instability (RMI) from a sequence of hydrodynamic features derived from radiographic images corrupted with blur, scatter, and noise. A noise model is developed to characterize errors in extracting features from synthetic radiographs of the simulated density field. The key component of the network is a transformer encoder that acts on a sequence of features extracted from noisy radiographs. This encoder includes numerous self-attention layers that act to learn temporal dependencies in the input sequences and increase the expressiveness of the model. This approach is shown to exhibit an excellent ability to accurately recover the RMI growth rates, despite the gas-metal interface being greatly obscured by radiographic noise. Our approach can be applied in a broad array of fields involving shock physics and material science.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Electrical Substation Configuration Effect on Substation Reliability

It is crucial that the U.S. electrical grid be reliable, due to its critical role in the economy and our national defense/security. Many common tasks and industrial operations rely on proper electrical power distribution. In designing new bus systems or evaluating existing ones, the type of configuration employed affects the level of risk, reliability, maintenance, and cost involved. The present work utilizes Systems Analysis Programs for Hands-on Integrated Reliability Evaluations (SAPHIRE) to perform a probabilistic risk assessment (PRA)-based sensitivity study on substation reliability in regard to different bus configurations. This study examines single bus, main and transfer, breaker and a half, double bus/double breaker, and ring bus configurations applied to busses with different numbers of lines. The case variances, methods, and rankings presented herein can help guide bus configurations for electrical grid design/analysis in the future.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Electrical Substation Configuration Effect on Substation Reliability

The nation’s electrical grid must be reliable because of its critical role in the economy, defense, and security of the nation. Many common tasks and industrial operations rely on proper electrical power distribution. In the design of new bus systems or evaluation of existing bus systems, the type of bus configuration affects the risk, reliability, maintenance, and cost of the system. This work utilizes Systems Analysis Programs for Hands-on Integrated Reliability Evaluations (SAPHIRE) to perform a probabilistic risk assessment (PRA) based sensitivity study on the reliability of substations with differing bus configurations. This study examines single bus, main and transfer, breaker and a half, double bus/double breaker, and ring bus configurations applied to busses of varying number of lines. The case variances, methods, and rankings presented can provide a guide for bus configuration for future electrical grid design and analysis.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Slimmer Geminals For Accurate F12 Electronic Structure Models

The Slater-type F12 geminal length scales originally tuned for the second-order Mo̷ller-Plesset F12 method are too large for higher-order F12 methods formulated using the SP (diagonal fixed-coefficient spin-adapted) F12 ansatz. The new geminal parameters reported herein reduce the basis set incompleteness errors (BSIEs) of absolute coupled-cluster singles and doubles F12 correlation energies by a significant─and increase with the cardinal number of the basis─margin. The effect of geminal reoptimization is especially pronounced for the cc-pVXZ-F12 basis sets (specifically designed for use with F12 methods) relative to their conventional aug-cc-pVXZ counterparts. The BSIEs of relative energies are less affected, but substantial reductions can be obtained, especially for atomization energies and ionization potentials with the cc-pVXZ-F12 basis sets. The new geminal parameters are therefore recommended for all applications of high-order F12 methods, such as coupled-cluster F12 methods and transcorrelated F12 methods.

Powell, Samuel R. [Virginia Polytechnic Inst. and ↗
DOE OSTI2020

Wave function methods for canonical ensemble thermal averages in correlated many-fermion systems

We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. Furthermore, the resulting canonical thermal state obeys an imaginary-time evolution equation. Starting with the mean-field approximation, where the canonical thermal state becomes an antisymmetrized geminal power (AGP) wave function, we explore two different schemes to add correlation: by number-projecting a correlated grand-canonical thermal state and by adding correlation to the number-projected mean-field state. As benchmark examples, we use number-projected configuration interaction and an AGP-based perturbation theory to study the hydrogen molecule in a minimal basis and the six-site Hubbard model.

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

Photometry of Outer Solar System Objects from the Dark Energy Survey. I. Photometric Methods, Light-curve Distributions, and Trans-Neptunian Binaries

We report the methods of and initial scientific inferences from the extraction of precision photometric information for the >800 trans-Neptunian objects (TNOs) discovered in the images of the Dark Energy Survey (DES). Scene-modeling photometry is used to obtain shot-noise-limited flux measures for each exposure of each TNO, with background sources subtracted. Comparison of double-source fits to the pixel data with single-source fits are used to identify and characterize two binary TNO systems. A Markov Chain Monte Carlo method samples the joint likelihood of the intrinsic colors of each source as well as the amplitude of its flux variation, given the time series of multiband flux measurements and their uncertainties. A catalog of these colors and light-curve amplitudes A is included with this publication. We show how to assign a likelihood to the distribution q(A) of light-curve amplitudes in any subpopulation. Using this method, we find decisive evidence (i.e., evidence ratio <0.01) that cold classical (CC) TNOs with absolute magnitude 6 < H$_{r}$ < 8.2 are more variable than the hot classical (HC) population of the same H$_{r}$, reinforcing theories that the former form in situ and the latter arise from a different physical population. Resonant and scattering TNOs in this H$_{r}$ range have variability consistent with either the HCs or CCs. DES TNOs with H$_{r}$ < 6 are seen to be decisively less variable than higher-H$_{r}$ members of any dynamical group, as expected. More surprising is that detached TNOs are decisively less variable than scattering TNOs, which requires them to have distinct source regions or some subsequent differential processing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Robust Deep Gaussian Process-Based Probabilistic Electrical Load Forecasting Against Anomalous Events

The abnormal events, such as the unprecedented COVID-19 pandemic, can significantly change the load behaviors, leading to huge challenges for traditional short-term forecasting methods. This article proposes a robust deep Gaussian processes (DGP)-based probabilistic load forecasting method using a limited number of data. Since the proposed method only requires a limited number of training samples for load forecasting, it allows us to deal with extreme scenarios that cause short-term load behavior changes. In particular, the load forecasting at the beginning of abnormal event is cast as a regression problem with limited training samples and solved by double stochastic variational inference DGP. The mobility data are also utilized to deal with the uncertainties and pattern changes and enhance the flexibility of the forecasting model. The proposed method can quantify the uncertainties of load forecasting outcomes, which would be essential under uncertain inputs. Extensive comparison results with other state-of-the-art point and probabilistic forecasting methods show that our proposed approach can achieve high forecasting accuracies with only a limited number of data while maintaining the excellent performance of capturing the forecasting uncertainties.

anomalous events↗
DOE OSTI2023

Four‐Electron Oxidative Addition of an N=N Double Bond at a Chromium Metallocyclopropene**

Abstract This report describes the synthesis of a pseudo‐tetrahedral chromium alkyne complex supported by a bidentate phosphinimide ligand and its reactivity with an azobenzene derivative. Characterization of the former by structural and computational methods reveals an unprecedented extent of alkyne activation by a formal chromium(II) center, suggesting that this complex is best described as a chromium(IV)‐metallocyclopropene. Exposure of this compound to 4,4′‐difluoroazobenzene results in the formation of a chromium(VI) diimido complex, which constitutes a rare 4‐electron oxidative addition of an N=N double bond. The isolation of a chromium(IV)‐hydrazido intermediate enabled mechanistic investigations of this challenging bond cleavage process. This work substantiates the notion that terminal phosphinimide ligands can engender first‐row transition metal ions with exceptional reactivity.

Chemistry↗
DOE OSTI2021

Dispersion formulas in QFTs, CFTs and holography

We study momentum space dispersion formulas in general QFTs and their applications for CFT correlation functions. We show, using two independent methods, that QFT dispersion formulas can be written in terms of causal commutators. The first derivation uses analyticity properties of retarded correlators in momentum space. The second derivation uses the largest time equation and the defining properties of the time-ordered product. At four points we show that the momentum space QFT dispersion formula depends on the same causal double-commutators as the CFT dispersion formula. At n -points, the QFT dispersion formula depends on a sum of nested advanced commutators. For CFT four-point functions, we show that the momentum space dispersion formula is equivalent to the CFT dispersion formula, up to possible semi-local terms. We also show that the Polyakov-Regge expansions associated to the momentum space and CFT dispersion formulas are related by a Fourier transform. In the process, we prove that the momentum space conformal blocks of the causal double-commutator are equal to cut Witten diagrams. Finally, by combining the momentum space dispersion formulas with the AdS Cutkosky rules, we find a complete, bulk unitarity method for AdS/CFT correlators in momentum space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Pleural homocysteine for malignant pleural effusion: A prospective and double‐blind diagnostic test accuracy study

Abstract Objective To assess the accuracy of pleural fluid homocysteine for discriminating malignant pleural effusion (MPE) and benign pleural effusion (BPE). Methods A total of 194 patients from two cohorts (Hohhot and Changshu) with undiagnosed pleural effusion were prospectively enrolled. Their pleural homocysteine was measured, and its diagnostic accuracy and net benefit for MPE were analyzed by receiver operating characteristic (ROC) curve analysis and decision curve analysis, respectively. Results In the Hohhot cohort ( n = 136) and the Changshu cohort ( n = 58), MPE patients had significantly higher homocysteine levels than BPE patients. The areas under the ROC curves of homocysteine for the diagnosis of MPE were 0.61 ( p = 0.027) and 0.59 ( p = 0.247), respectively. The decision curves of homocysteine were close to the reference line in both the Hohhot cohort and the Changshu cohort. Conclusion The diagnostic accuracy of pleural fluid homocysteine for MPE was low.

Cao, Xi‐Shan↗