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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 OSTI2026

Feedforward-feedback ammonia control at a water resource recovery facility based on a digital twin with hybrid model

Ammonia-based aeration control (ABAC) at full-scale Water Resource Recovery Facilities (WRRFs) can be challenged by diurnal loading and transport delays. This work addressed these challenges using a hybrid feedforward–feedback controller built on Activated Sludge Model 1 (ASM1), marking the first full-scale deployment to pair a mechanistic feedforward core with data-driven corrections. The objectives were to improve ammonia setpoint tracking, assess performance of the mechanistic model when enhanced with data-driven corrections, and document full-scale operation. The hybrid model incorporates two data-driven components: (1) a Mechanistic Error Forecasting Engine (MEFE), consisting of a multivariate linear regressor and a long short-term memory (LSTM) ensemble. Defying expectations, low-parameter models outperformed more complex alternatives, reducing the mechanistic error by 71%. (2) A Residual Oscillation Forecasting Engine (ROFE), based on Fast Fourier Transform, reduced the remaining error by another 35%. Two proportional–integral (PI) feedback loops further (i) trim the feedforward output and (ii) eliminate residual controller error in the final aerobic zone. In full-scale operation, the controller reduced mean-squared error (MSE) by 94% over the baseline and produced more stable dissolved oxygen (DO) setpoints. Overall, it was proven that layering multi-timescale data-driven models on a mechanistic core can yield reliable ABAC performance at WRRFs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

How a homolog of high-fidelity replicases conducts mutagenic DNA synthesis

All DNA replicases achieve high fidelity by a conserved mechanism, but each translesion polymerase carries out mutagenic DNA synthesis in its own way. Here we report crystal structures of human DNA polymerase ν (Pol ν), which is homologous to high-fidelity replicases yet is error prone. Instead of a simple open-to-closed movement of the O helix upon binding of a correct incoming nucleotide, Pol ν has a different open state and requires the finger domain to swing sideways and undergo both opening and closing motions to accommodate the nascent base pair. A single–amino acid substitution in the O helix of the finger domain improves the fidelity of Pol ν nearly ten-fold. A unique cavity and the flexibility of the thumb domain allow Pol ν to generate and accommodate a looped-out primer strand. Primer loop-out may be a mechanism for DNA trinucloetide-repeat expansion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Field validation of an actuated convergent-beam acoustic Doppler profiler for high resolution flow mapping

Abstract Energetic river and tidal flow environments feature complex hydrodynamic conditions. Conventional acoustic Doppler profiling instrumentation typically requires assumptions of flow homogeneity over the spatial scales of the divergent beam separation. This removes the ability to measure spatio-temporal variability within the flow. However, velocity variability within these spatial scales is often important in the design of structures and devices exposed to such flow, informing dynamic and peak hydrodynamic load predictions. The research presented outlines the development and testing of a flow measurement instrument consisting of multiple spatially-separated single beam acoustic Doppler profilers converging on a remote focal point, the location of which can be programmatically adjusted through actuation. This increases the spatial resolution at which remote field measurements can be made in energetic flow environments. Field testing of the instrument was conducted in a tidal channel at Sequim Bay Inlet, WA, USA. Results are compared with independent reference measurements made by a co-located, motion-corrected acoustic Doppler velocimeter. This comparison, across tidal velocities of 0.4–0.7 m s −1 , showed a mean velocity error of 0.5%–13.2% across nine sample locations within a 3.00 m × 2.25 m plane. To the authors’ knowledge, this is the first publication of flow velocity results from non-intrusive acoustic measurements at an off-axis, focal point location that features 3D positional control.

13 HYDRO ENERGY↗
DOE OSTI2019

Revisiting surface core-level shifts for ionic compounds

The shifts of core-level binding energies can provide powerful information about the electronic structure of a material. Understanding the physical origin of these shifts for catalytically relevant oxides may provide important insight into their properties. This requires reliable theoretical methods which are able to relate the binding energy shifts to the electronic structure. In order to establish such a methodology, the CaO(100) surface to bulk core-level binding energy shifts have been studied with Hartree-Fock and density-functional theory methods using both cluster and periodic slab models. The shifts obtained from the different theoretical methods are compared with each other and with data from synchrotron-based x-ray photoelectron spectroscopy (XPS) measurements. With a common approximation for the slab model treatment of XPS, the predicted binding energy shifts are seriously in error. In this work, the origin of the error is identified as arising from a flawed treatment of the surface atom binding energies, and a method for correcting the failure is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Multi-qubit gates protected by adiabaticity and dynamical decoupling applicable to donor qubits in silicon

In this paper, we present a strategy for producing multiqubit gates that promise high fidelity with minimal tuning requirements. Our strategy combines gap protection from the adiabatic theorem with dynamical decoupling in a complementary manner. Energy-level transition errors are protected by adiabaticity and remaining phase errors are mitigated via dynamical decoupling. This is a powerful way to divide and conquer the various error channels. In order to accomplish this without violating a no-go theorem regarding black-box dynamically corrected gates [Phys. Rev. A 80, 032314 (2009)], we require a robust operating point (sweet spot) in control space where the qubits interact with little sensitivity to noise. There are also energy gap requirements for effective adiabaticity. We apply our strategy to an architecture in Si with P donors where we assume we can shuttle electrons between different donors. Electron spins act as mobile ancillary qubits and P nuclear spins act as long-lived data qubits. Furthermore, this system can have a very robust operating point where the electron spin is bound to a donor in the quadratic Stark shift regime. High fidelity single qubit gates may be performed using well-established global magnetic resonance pulse sequences. Single electron-spin preparation and measurement has also been demonstrated. Thus, putting this all together, we present a robust universal gate set for quantum computation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

cabbi-bio/ESM-R-script

This script is intended to provide a starting point for users to implement the equivalent soil mass (ESM) approach for calculating soil organic carbon (SOC) stocks and SOC mass percentages (commonly called “SOC concentration”). The user should read this readme file and understand how the script works before using it. The script contains some basic error checking algorithms, but it cannot catch all data entry mistakes. It is possible to misuse the script and produce invalid results. The script was designed to work on individual soil cores that have been divided into three or more contiguous segments, as the cubic spline function contains four coefficients. The script has not been tested on soil cores containing fewer than three contiguous segments. If only one segment is present, interpolation will necessarily be linear rather than cubic, which is expected to result in higher predictive error (Wendt & Hauser, 2013). Considering the wide range of potential applications, the script should not be expected to function correctly in all situations. The user is encouraged to modify or rewrite the script to meet their specific needs.

von Haden, Adam↗
DOE OSTI2023

Fabrication-robust silicon photonic devices in standard sub-micron silicon-on-insulator processes

Perturbations to the effective refractive index from nanometer-scale fabrication variations in waveguide geometry plague high index-contrast photonic platforms; this includes the ubiquitous sub-micron silicon-on-insulator (SOI) process. Such variations are particularly troublesome for phase-sensitive devices, such as interferometers and resonators, which exhibit drastic changes in performance as a result of these fabrication-induced phase errors. In this Letter, we propose and experimentally demonstrate a design methodology for dramatically reducing device sensitivity to silicon width variations. We apply this methodology to a highly phase-sensitive device, the ring-assisted Mach–Zehnder interferometer (RAMZI), and show comparable performance and footprint to state-of-the-art devices, while substantially reducing stochastic phase errors from etch variations. This decrease in sensitivity is directly realized as energy savings by significantly reducing the required corrective thermal tuning power, providing a promising path toward ultra-energy-efficient large-scale silicon photonic circuits.

Rizzo, Anthony (ORCID:000000034752797X)↗
DOE OSTI2017

Mechanical Safety Subcommittee Guideline for Design of Thin Windows Regarding Roark’s Edge Condition Coefficient

An error was found in an edge stress coefficient used to calculate stresses in thin windows. This error is present in “Roark’s Formulas for Stress and Strain” 7th and 8th Edition. The 6th Edition is correct. This guideline specially discusses a major difference in regards to a coefficient used in calculating the edge stress in “Roark’s Formulas for Stress and Strain” 6th Edition compared to the 7th and 8th Editions. In Chapter 10: Flat Plates under “Circular plates under distributed load producing large deflections,” Case 3, which is “Fixed and held. Uniform pressure q over entire plate.” The coefficient for a fixed edge condition in the 6th Edition1 K4 = 0.476 while in the 7th and 8th Edition2, the coefficient is 1.73 which is significant difference.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Impact of Intake and Exhaust Ducts on the Recovery Efficiency of Heat Recovery Ventilation Systems

The heat recovery efficiency of ventilation systems utilizing heat recovery ventilators (HRVs) depends not only on the heat recovery efficiency of the HRV units themselves but also on the intake and exhaust ducts that connect the HRV units to the outside environment. However, these ducts are often neglected in heat loss calculations, as their impact on the overall heat recovery efficiency of HRV systems is often not understood and, to the knowledge of the authors, a mathematical model for the overall heat recovery efficiency of HRV systems that accounts for these ducts has not been published. In this research, a mathematical model for the overall heat recovery efficiency of HRV systems that accounts for the intake and exhaust ducts was derived and validated using real-life data. The model-predicted decrease in heat recovery efficiency due to the ducts was in reasonable agreement (relative error within 20%) with the real-life measurements. The results suggest that utilizing this model allows for more correct ventilation heat loss calculations compared to using the heat recovery efficiency of the HRV unit alone, but more field studies are needed to verify the accuracy of this model in a wide range of applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Gas fraction and depletion time of massive star-forming galaxies at z ∼ 3.2: no change in global star formation process out to z > 3

The observed evolution of the gas fraction and its associated depletion time in main-sequence (MS) galaxies provides insights on how star formation proceeds over cosmic time. We report ALMA detections of the rest-frame ∼300 μm continuum observed at 240 GHz for 45 massive (〈log(M{sub ⋆}(M{sub ⊙}))〉=10.7), normal star-forming (〈log(sSFR(yr{sup −1}))〉=−8.6), i.e., MS, galaxies at z≈3.2 in the COSMOS field. From an empirical calibration between cold neutral, i.e., molecular and atomic, gas mass M{sub gas} and monochromatic (rest-frame) infrared luminosity, the gas mass for this sample is derived. Combined with stellar mass M{sub ⋆} and star formation rate (SFR) estimates (from MagPhys fits) we obtain a median gas fraction of μ{sub gas}=M{sub gas}/M{sub ⋆}=1.65{sub −0.19}{sup +0.18} and a median gas depletion time t{sub depl.}(Gyr)=M{sub gas/SFR}=0.68{sub −0.08}{sup +0.07}; correction for the location on the MS will only slightly change the values. The reported uncertainties are the 1σ error on the median. Our results are fully consistent with the expected flattening of the redshift evolution from the 2-SFM (2 star formation mode) framework which empirically prescribes the evolution assuming a universal, log-linear relation between SFR and gas mass coupled to the redshift evolution of the specific star formation rate (sSFR) of MS galaxies. While t{sub depl.} shows only a mild dependence on location within the MS, a clear trend of increasing μ{sub gas} across the MS is observed (as known from previous studies). Further, we comment on trends within the MS and (in)consistencies with other studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Pressure Change Measurement Leak Testing Errors

A pressure change test is a common leak testing method used in construction and Non-Destructive Examination (NDE). The test is known as being a fast, simple, and easy to apply evaluation method. While this method may be fairly quick to conduct and require simple instrumentation, the engineering behind this type of test is more complex than is apparent on the surface. This paper intends to discuss some of the more common errors made during the application of a pressure change test and give the test engineer insight into how to correctly compensate for these factors. The principals discussed here apply to ideal gases such as air or other monoatomic or diatomic gasses; however these same principals can be applied to polyatomic gasses or liquid flow rate with altered formula specific to those types of tests using the same methodology.

Leak Test↗
DOE OSTI2022

High-order diamond differencing schemes for the Boltzmann Fokker-Planck equation in 3D Cartesian geometries

The Boltzmann Fokker-Planck, an approximate form of the linear Boltzmann equation is commonly used to treat efficiently the transport of charged particles in matter. This paper introduces the application of high-order diamond differencing schemes (HODD), specifically the DD1 and DD2 schemes which are 4- and 6-order accurate respectively, to handle the spatial discretization of that equation in 3D Cartesian geometries. The energy deposition solutions for the coupled transport of electrons and photons presented in this work shows that HODD, compared to classical DD scheme, provides correction to the oscillations and a reduced propensity to yield negative fluxes. They are useful tools to minimize local error, notably in regions with abrupt variations of the flux solution. They also can be used to reduced execution time by decreasing the needed number of voxels to obtain a fixed accuracy. On the tested benchmarks, the DD1 scheme is 87%- 92%-91% more accurate than the classical DD scheme for total, mean per-voxels and maximum deviation of energy deposition values respectively. For comparison, a calculation with 8 times more voxels, requiring roughly 2.5 times more time to execute, is 92%-90%-77% more accurate. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Improving precision and accuracy of genetic mapping with genotyping‐by‐sequencing data in outcrossing species

Abstract Genotyping‐by‐sequencing (GBS) is a widely used strategy for obtaining large numbers of genetic markers in model and non‐model organisms. In crop plants, GBS‐derived marker datasets are frequently used to perform quantitative trait locus (QTL) mapping. In some plant species, however, high heterozygosity and complex genome structure mean that researchers must use care in handling GBS data to conduct QTL mapping most effectively. Such outbred crops include most of the perennial grass and tree species used for bioenergy. To identify strategies for increasing accuracy and precision of QTL mapping using GBS data in outbred crops, we conducted an empirical study of SNP‐calling and genetic map‐building pipeline parameters in a Miscanthus sinensis population, and a complementary simulation study to estimate the relationship between genome‐wide error rate, read depth, and marker number. The bioenergy grass Miscanthus is an obligate outcrossing species with a recent (diploidized) whole‐genome duplication. For the study of empirical M. sinensis data, we compared two SNP‐calling methods (one non‐reference‐based and one reference‐based), a series of depth filters (12×, 20×, 30×, and 40×) and two map‐construction methods (i.e., marker ordering: linkage‐only and order‐corrected based on a reference genome). We found that correcting the order of markers on a linkage map by using a high‐quality reference genome improved QTL precision (shorter confidence intervals). For typical GBS datasets of between 1000 and 5000 markers to build a genetic map for biparental populations, a depth filter set at 30× to 40× applied to outbred populations provided a genome‐wide genotype‐calling error rate of less than 1%, improved accuracy of QTL point estimates and minimized type I errors for identifying QTL. Based on these results, we recommend using a reference genome to correct the marker order of genetic maps and a robust genotype depth filter to improve QTL mapping for outbred crops.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Radiochromic film based transit dosimetry for verification of dose delivery with intensity modulated radiotherapy

Purpose: To evaluate the transit dose based patient specific quality assurance (QA) of intensity modulated radiation therapy (IMRT) for verification of the accuracy of dose delivered to the patient. Methods: Five IMRT plans were selected and utilized to irradiate a homogeneous plastic water phantom and an inhomogeneous anthropomorphic phantom. The transit dose distribution was measured with radiochromic film and was compared with the computed dose map on the same plane using a gamma index with a 3% dose and a 3 mm distance-to-dose agreement tolerance limit. Results: While the average gamma index for comparisons of dose distributions was less than one for 98.9% of all pixels from the transit dose with the homogeneous phantom, the passing rate was reduced to 95.0% for the transit dose with the inhomogeneous phantom. Transit doses due to a 5 mm setup error may cause up to a 50% failure rate of the gamma index. Conclusions: Transit dose based IMRT QA may be superior to the traditional QA method since the former can show whether the inhomogeneity correction algorithm from TPS is accurate. In addition, transit dose based IMRT QA can be used to verify the accuracy of the dose delivered to the patient during treatment by revealing significant increases in the failure rate of the gamma index resulting from errors in patient positioning during treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Effect of reconstruction methods and x-ray tube current–time product on nodule detection in an anthropomorphic thorax phantom: A crossed-modality JAFROC observer study

Purpose: To evaluate nodule detection in an anthropomorphic chest phantom in computed tomography (CT) images reconstructed with adaptive iterative dose reduction 3D (AIDR{sup 3D}) and filtered back projection (FBP) over a range of tube current–time product (mAs). Methods: Two phantoms were used in this study: (i) an anthropomorphic chest phantom was loaded with spherical simulated nodules of 5, 8, 10, and 12 mm in diameter and +100, −630, and −800 Hounsfield units electron density; this would generate CT images for the observer study; (ii) a whole-body dosimetry verification phantom was used to ultimately estimate effective dose and risk according to the model of the BEIR VII committee. Both phantoms were scanned over a mAs range (10, 20, 30, and 40), while all other acquisition parameters remained constant. Images were reconstructed with both AIDR{sup 3D} and FBP. For the observer study, 34 normal cases (no nodules) and 34 abnormal cases (containing 1–3 nodules, mean 1.35 ± 0.54) were chosen. Eleven observers evaluated images from all mAs and reconstruction methods under the free-response paradigm. A crossed-modality jackknife alternative free-response operating characteristic (JAFROC) analysis method was developed for data analysis, averaging data over the two factors influencing nodule detection in this study: mAs and image reconstruction (AIDR{sup 3D} or FBP). A Bonferroni correction was applied and the threshold for declaring significance was set at 0.025 to maintain the overall probability of Type I error at α = 0.05. Contrast-to-noise (CNR) was also measured for all nodules and evaluated by a linear least squares analysis. Results: For random-reader fixed-case crossed-modality JAFROC analysis, there was no significant difference in nodule detection between AIDR{sup 3D} and FBP when data were averaged over mAs [F(1, 10) = 0.08, p = 0.789]. However, when data were averaged over reconstruction methods, a significant difference was seen between multiple pairs of mAs settings [F(3, 30) = 15.96, p < 0.001]. Measurements of effective dose and effective risk showed the expected linear dependence on mAs. Nodule CNR was statistically higher for simulated nodules on images reconstructed with AIDR{sup 3D} (p < 0.001). Conclusions: No significant difference in nodule detection performance was demonstrated between images reconstructed with FBP and AIDR{sup 3D}. mAs was found to influence nodule detection, though further work is required for dose optimization.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Corrected loop vertex expansion for Φ{sub 2}{sup 4} theory

This paper is an extended erratum to Rivasseau and Wang [J. Math. Phys. 53, 042302 (2012); e-print http://arxiv.org/abs/1104.3443 [math-ph]], in which the classic construction and Borel summability of the ϕ{sub 2}{sup 4} Euclidean quantum field theory was revisited combining a multi-scale analysis with the constructive method called Loop Vertex Expansion (LVE). Unfortunately we discovered an important error in the method of Rivasseau and Wang [J. Math. Phys. 53, 042302 (2012); e-print http://arxiv.org/abs/1104.3443 [math-ph]]. We explain the mistake, and provide a new, correct construction of the ϕ{sub 2}{sup 4} theory according to the LVE.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

SU-E-T-672: Real-Time In Vivo Dosimeters Using LiPCDA and Optical Fibers

Purpose: To investigate dosimeter prototypes made with lithium pentacosa-10,12-diynoate (LiPCDA, the material used in GafChromic EBT films) and optical fibers for their suitability in real-time in vivo measurements. Methods: The prototypes, made with 500 µm plastic optical fibers and 8.5 µm thickness of LiPCDA at fiber tip, were irradiated with a 6 MV beam. To investigate the efficacy of pre-irradiation calibration, the probes were irradiated to 2 Gy twice, with 5 minutes in between. Net optical density values (netOD) around the main absorbance peak were compared, and effect of correcting second measurement by the first was assessed. Ageing was assessed by irradiating two prototypes to 2 Gy and comparing the netOD to that obtained for 15 prototypes from the same batch 12–14 months earlier. To measure angular dependence, the probes were pre-irradiated with beam perpendicular to fiber axis and then, 5 minutes later either perpendicular or parallel to fiber axes. The thickness-corrected netOD measurements were compared. Results: Standard deviation of netOD for probes of the same batch was measured to be 5–6%. When netOD was corrected for material thickness by using results from the first irradiation, the standard deviation decreased to 1.3%. This was comparable to the uncertainty in measurements observed with a single probe and is attributed to variations in light output, spectrometer noise and splitter-to-probe connection variations. Comparison of netOD values obtained a year apart failed to illustrate statistically significant decrease in sensitivity due to ageing (0.38 ± 0.03 and 0.3656 ± 0.0003). NetOD measured with MV beam parallel to fiber was within error of netOD measured with MV beam perpendicular to fiber. Conclusion: Current prototype construction allows for shelf life of at least one year. With material thickness corrected for, the prototypes can measure dose with an uncertainty below 2% at a given energy and dose rate. This work has been funded by the Ontario Centres of Excellence Market Readiness grant. The authors have no conflict of interest to declare.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗