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DOE OSTI2021

Hydro-chemo-mechanical phase field formulation for corrosion induced cracking in reinforced concrete

Steel corrosion induced cracking in reinforced concrete structures is often caused by volumetric straining at the steel-concrete interface. This volumetric strain is mainly controlled by the rate of generation of corrosion product, which depends on the diffusion of Cl{sup −} and dissolved O{sub 2} as well as the chemical reaction at the steel-concrete interface. While many numerical modeling techniques have been proposed to tackle this complex phenomenon, most have been limited to using staggered solution schemes, where the diffusion, chemical reaction, mechanical strain, and crack fields are solved for separately. Unfortunately, such approaches introduce numerical errors that can lead to unrealistic predictions. Therefore, a coupled solution, is needed to remove the formulation induced errors and understand this complex phenomenon. To provide a unifying solution framework for corrosion induced cracking in reinforced concrete, a phase field formulation is presented and implemented with FEM algorithms. The governing equations are derived from the system's free energy and Fick's law of diffusion. The proposed formulation was first validated in 1D by comparing the modeling results with the semi-analytical solution approximated via Laurent series to avoid singularities in the complex domain. 2D plane strain solutions to the embedded rebar undergoing corrosion induced cracking with pre-cracks are also presented and compared with the approximated solutions from linear elastic fracture mechanics theory (LEFM). The modeling of crack propagation enabled by the proposed formulation is also presented along with parametric studies to reveal the roles of the fracture toughness and permeability of the concrete on the corrosion induced cracking. A case study was also conducted on H-pile steel with concrete jackets to demonstrate the feasibility of modeling corrosion induced fracture in reinforced concrete structures with complex steel-concrete interfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Understanding and control of Zener pinning via phase field and ensemble learning

Zener pinning refers to the dispersion of fine particles which influences grain size distribution via movement of grain boundaries in a polycrystalline material. Grain size distribution in polycrystals has a significant impact on their properties including physical, chemical, mechanical, and optical to name a few. We explore the use of Phase-field modeling and machine-learning techniques to understand and improve the control of grain size distribution via Zener pinning in polycrystalline materials. We develop a machine learning model that determines the relative importance of various parameters to exercise microstructure control via Zener pinning. Our workflow combines high-throughput phase-field simulations and machine learning to address the computational bottlenecks associated with large-scale simulations as well as identify features necessary for microstructure control in polycrystals. A random forest (RF) regression model was developed to predict grain sizes based on five Phase-field model parameters, achieving an average prediction error of 0.72 nm for the training data and 1.44 nm for the test data. The importance of the input parameters is analyzed using the SHapley Additive exPlanations (SHAP) approach which reveals that diffusivity, volume fraction, and particle diameter are the most important parameters in determining the final grain size. These findings will allow us to select the best second-phase particles, optimize grain size distributions and thus design microstructures with the desired properties. The developed method is a highly versatile and generalizable approach that can be used to assess the combined effects of individual features in the presence of multiple variables.

36 MATERIALS SCIENCE↗

DOE OSTI2018

CBETA 4-pass Orbit Correction and Tolerance Study (CBETA Machine Note #037)

The main goal of this study is to find the tolerance of the CBETA FFAG lattice subjected to various errors. Common error sources include non-ideal magnet positioning and alignment, undesired multipole field strengths, and BPM offsets. In order to fix the beam trajectories (orbits) affected by the errors, dipole kickers have been allocated throughout the FFAG beamline to serve as correctors. Since there are four coexisting orbits in the FFAG, the correction scheme must aim to correct all four of them simultaneously. The simulation is performed using Bmad, developed by Cornell University to model relativistic beam dynamics in customized accelerator lattices. The core of orbit correction is the singular value decomposition (SVD) optimization. As the error magnitudes increase, the beam size and emittance after correction could undesirably increase, and our goal is to find the "individual limit" of each error type beyond which the increases become unacceptable. Typically this limit is reached before the orbits become un-correctable. Similarly we can also find the "combined limit" of various errors. Both limits will be properly defined in the later section.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

RF breakdown of 805 MHz cavities in strong magnetic fields

Ionization cooling of intense muon beams requires the operation of high-gradient, normal-conducting RF structures in the presence of strong magnetic fields. We have measured the breakdown rate in several RF cavities operating at several frequencies. Cavities operating within solenoidal magnetic fields B > 0.25 T show an increased RF breakdown rate at lower gradients compared with similar operation when B = 0 T. Ultimately, this breakdown behavior limits the maximum safe operating gradient of the cavity. Beyond ionization cooling, this issue affects the design of photoinjectors and klystrons, among other applications. We have built an 805 MHz pillbox-type RF cavity to serve as an experimental testbed for this phenomenon. This cavity is designed to study the problem of RF breakdown in strong magnetic fields using various cavity materials and surface treatments, and with precise control over sources of systematic error. We present results from tests in which the cavity was run with all copper surfaces in a variety of magnetic fields.

43 PARTICLE ACCELERATORS↗

DOE OSTI2016

SU-G-TeP2-14: Universal Function Form for Photon Open Field In-Water Output Ratio

Purpose: In-Water-Output-Ratio (IWOR) plays a significant role in linac-based radiotherapy treatment planning, linking MUs to delivered radiation dose. For an open rectangular field, IWOR depends on both its width and length, and changes rapidly when one of them becomes small. In this study, a universal functional form is proposed to fit the open field IWOR tables in Varian TrueBeam representative datasets for all photon energies. Methods: A novel Generalized Mean formula is first used to estimate the Equivalent Square (ES) for a rectangular field. The formula’s weighting factor and power index are determined by collapsing all data points as much as possible onto a single curve in IWOR vs. ES plot. The result is then fitted with a novel universal function IWOR=1+b*Log(ES/10cm)/(ES/10cm)^c via a least-square procedure to determine the optimal values for parameters b and c. The maximum relative residual error in IWOR over the entire two-dimensional measurement table with field sizes between 3cm and 40cm is used to evaluate the quality of fit for the function. Results: The two-step fitting strategy works very well in determining the optimal parameter values for open field IWOR of each photon energies in the Varian data-set. Relative residual error ≤0.71% is achieved for all photon energies (including Flattening-Filter-Free modes) with field sizes between 3cm and 40cm. The optimal parameter values change smoothly with regular photon beam quality. Conclusion: The universal functional form fits the Varian TrueBeam open field IWOR measurement tables accurately with small relative residual errors for all photon energies. Therefore, it can be an excellent choice to represent IWOR in absolute dose and MU calculations. The functional form can also be used as a QA/commissioning tool to verify the measured data quality and consistency by checking the IWOR data behavior against the function for new photon energies with arbitrary beam quality.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

THE MEASUREMENT, TREATMENT, AND IMPACT OF SPECTRAL COVARIANCE AND BAYESIAN PRIORS IN INTEGRAL -FIELD SPECTROSCOPY OF EXOPLANETS

The recovery of an exoplanet’s atmospheric parameters from its spectrum requires accurate knowledge of the spectral errors and covariances. Unfortunately, the complex image processing used in high-contrast integral-field spectrograph (IFS) observations generally produces spectral covariances that are poorly understood and often ignored. In this work, we show how to measure the spectral errors and covariances and include them self-consistently in parameter retrievals. By combining model exoplanet spectra with a realistic noise model generated from the Gemini Planet Imager (GPI) early science data, we show that ignoring spectral covariance in high-contrast IFS data can both bias inferred parameters and lead to unreliable confidence regions on those parameters. This problem is made worse by the common practice of scaling the χ {sup 2} per degree of freedom to unity; the input parameters then fall outside the 95% confidence regions in as many as ∼80% of noise realizations. The biases we observe can approach the typical levels of precision achieved in high-contrast spectroscopy. Accounting for realistic priors in fully Bayesian retrievals can also have a significant impact on the inferred parameters. Plausible priors on effective temperature and surface gravity can vary by an order of magnitude across the confidence regions appropriate for objects with weak age constraints; priors for objects with good age constraints are dominated by modeling uncertainties. Our methods are directly applicable to existing high-contrast IFSs including GPI and SPHERE, as well as upcoming instruments like CHARIS and, ultimately, WFIRST-AFTA.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

High-precision control of tracked field robots in the presence of unknown traction coefficients

Accurate steering through crop rows that avoids crop damage is one of the most important tasks for agricultural robots utilized in various field operations, such as monitoring, mechanical weeding, or spraying. In practice, varying soil conditions can result in off-track navigation due to unknown traction coefficients so that it can cause crop damage. To address this problem, this work presents the development, application, and experimental results of a real-time receding horizon estimation and control (RHEC) framework applied to a fully autonomous mobile robotic platform to increase its steering accuracy. Recent advances in cheap and fast microprocessors, as well as advances in solution methods for nonlinear optimization problems, have made nonlinear receding horizon control (RHC) and receding horizon estimation (RHE) methods suitable for field robots that require high-frequency (milliseconds) updates. A real-time RHEC framework is developed and applied to a fully autonomous mobile robotic platform designed by the authors for in-field phenotyping applications in sorghum fields. Nonlinear RHE is used to estimate constrained states and parameters, and nonlinear RHC is designed based on an adaptive system model that contains time-varying parameters. The capabilities of the real-time RHEC framework are verified experimentally, and the results show an accurate tracking performance on a bumpy and wet soil field. Finally, the mean values of the Euclidean error and required computation time of the RHEC framework are equal to 0.0423 m and 0.88 ms, respectively.

42 ENGINEERING↗

DOE OSTI2013

GPS Data Filtration Method for Drive Cycle Analysis Applications

When employing GPS data acquisition systems to capture vehicle drive-cycle information, a number of errors often appear in the raw data samples, such as sudden signal loss, extraneous or outlying data points, speed drifting, and signal white noise, all of which limit the quality of field data for use in downstream applications. Unaddressed, these errors significantly impact the reliability ofsource data and limit the effectiveness of traditional drive-cycle analysis approaches and vehicle simulation software. Without reliable speed and time information, the validity of derived metrics for drive cycles, such as acceleration, power, and distance, become questionable. This study explores some of the common sources of error present in raw onboard GPS data and presents a detailedfiltering process designed to correct for these issues. Test data from both light and medium/heavy duty applications are examined to illustrate the effectiveness of the proposed filtration process across the range of vehicle vocations. Graphical comparisons of raw and filtered cycles are presented, and statistical analyses are performed to determine the effects of the proposed filtration processon raw data. Finally, an evaluation of the overall benefits of data filtration on raw GPS data and present potential areas for continued research is presented.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

SU-E-J-199: A Software Tool for Quality Assurance of Online Replanning with MR-Linac

Purpose: To develop a quality assurance software tool, ArtQA, capable of automatically checking radiation treatment plan parameters, verifying plan data transfer from treatment planning system (TPS) to record and verify (R&V) system, performing a secondary MU calculation considering the effect of magnetic field from MR-Linac, and verifying the delivery and plan consistency, for online replanning. Methods: ArtQA was developed by creating interfaces to TPS (e.g., Monaco, Elekta), R&V system (Mosaiq, Elekta), and secondary MU calculation system. The tool obtains plan parameters from the TPS via direct file reading, and retrieves plan data both transferred from TPS and recorded during the actual delivery in the R&V system database via open database connectivity and structured query language. By comparing beam/plan datasets in different systems, ArtQA detects and outputs discrepancies between TPS, R&V system and secondary MU calculation system, and delivery. To consider the effect of 1.5T transverse magnetic field from MR-Linac in the secondary MU calculation, a method based on modified Clarkson integration algorithm was developed and tested for a series of clinical situations. Results: ArtQA is capable of automatically checking plan integrity and logic consistency, detecting plan data transfer errors, performing secondary MU calculations with or without a transverse magnetic field, and verifying treatment delivery. The tool is efficient and effective for pre- and post-treatment QA checks of all available treatment parameters that may be impractical with the commonly-used visual inspection. Conclusion: The software tool ArtQA can be used for quick and automatic pre- and post-treatment QA check, eliminating human error associated with visual inspection. While this tool is developed for online replanning to be used on MR-Linac, where the QA needs to be performed rapidly as the patient is lying on the table waiting for the treatment, ArtQA can be used as a general QA tool in radiation oncology practice. This work is partially supported by Elekta Inc.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Measurements and Model Improvement: Insight into NWP Model Error Using Doppler Lidar and Other WFIP2 Measurement Systems

Abstract Doppler-lidar wind-profile measurements at three sites were used to evaluate NWP model errors from two versions of NOAA’s 3-km-grid HRRR model, to see whether updates in the latest version 4 reduced errors when compared against the original version 1. Nested (750-m grid) versions of each were also tested to see how grid spacing affected forecast skill. The measurements were part of the field phase of the Second Wind Forecasting Improvement Project (WFIP2), an 18-month deployment into central Oregon–Washington, a major wind-energy-producing region. This study focuses on errors in simulating marine intrusions, a summertime, 600–800-m-deep, regional sea-breeze flow found to generate large errors. HRRR errors proved to be complex and site dependent. The most prominent error resulted from a premature drop in modeled marine-intrusion wind speeds after local midnight, when lidar-measured winds of greater than 8 m s −1 persisted through the next morning. These large negative errors were offset at low levels by positive errors due to excessive mixing, complicating the interpretation of model “improvement,” such that the updates to the full-scale versions produced mixed results, sometimes enhancing but sometimes degrading model skill. Nesting consistently improved model performance, with version 1’s nest producing the smallest errors overall. HRRR’s ability to represent the stages of sea-breeze forcing was evaluated using radiation budget, surface-energy balance, and near-surface temperature measurements available during WFIP2. The significant site-to-site differences in model error and the complex nature of these errors mean that field-measurement campaigns having dense arrays of profiling sensors are necessary to properly diagnose and characterize model errors, as part of a systematic approach to NWP model improvement. Significance Statement Dramatic increases in NWP model skill will be required over the coming decades. This paper describes the role of major deployments of accurate profiling sensors in achieving that goal and presents an example from the Second Wind Forecast Improvement Program (WFIP2). Wind-profile data from scanning Doppler lidars were used to evaluate two versions of HRRR, the original and an updated version, and nested versions of each. This study focuses on the ability of updated HRRR versions to improve upon predicting a regional sea-breeze flow, which was found to generate large errors by the original HRRR. Updates to the full-scale HRRR versions produced mixed results, but the finer-mesh versions consistently reduced model errors.

Meteorology & Atmospheric Sciences↗

DOE OSTI2021

A deterministic verification strategy for electrostatic particle-in-cell algorithms in arbitrary spatial dimensions using the method of manufactured solutions

As simulations of kinetic plasmas continue to increase in scope and complexity, a rigorous and straightforward method for verifying particle-in-cell (PIC) implementations is necessary to ensure their correctness. Here, in this paper, we present a deterministic method for the rigorous verification of multidimensional, multispecies, electrostatic particle-in-cell codes based on the method of manufactured solutions. Specifically, we prove that rigorous verification is possible through the exclusive examination of errors of grid quantities (i.e., moments and/or fields), allowing for a very light-weight and non-intrusive implementation in existing PIC codes. This is a marked improvement over earlier PIC verification approaches (only demonstrated with one species in 1D-1V), which rely on the comparison of cumulative distribution functions, and are invasive on the code base, introduce additional stochastic noise, are significantly more computationally expensive, and lack rigorous convergence properties. Interestingly, we show that different grid quantities feature different rates of convergence with the number of particles and mesh size, impacting the verification process. These theoretical results are confirmed numerically with a multi-species 2D-2V particle-in-cell code, including the ability of the method to detect order reduction due to an incorrect implementation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Best practices in evaluation of the magnetocaloric effect from bulk magnetization measurements

Conventional magnetometry is irreplaceable in evaluating bulk magnetization of materials over broad temperature and field ranges. The technique is also effective in quantifying hysteresis that may be associated with magnetic and structural phase transitions that occur during the magnetizing/demagnetizing cycling, and the derived magnetic field-induced isothermal entropy change – one of the most important properties in the field of magnetocalorics. Both systematic and random errors present during the measurements of magnetization, however, may lead to erroneous conclusions. Using two well-known materials – elemental Gd and intermetallic Gd 5 Si 2 Ge 2 as examples, we consider best practices in performing reliable and rapid magnetization measurements for proper characterization of magnetocaloric properties.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Reconstruction algorithm for limited-angle diffraction tomography for microwave NDE

Microwave tomography is becoming a popular imaging modality in nondestructive evaluation and medicine. A commonly encountered challenge in tomography in general is that in many practical situations a full 360° angular access is not possible and with limited access, the quality of reconstructed image is compromised. This paper presents an approach for reconstruction with limited angular access in diffraction tomography. The algorithm takes advantage of redundancies in image Fourier space data obtained from diffracted field measurements and couples it to an error minimization technique using a constrained total variation (CTV) minimization. Initial results from simulated data have been presented here to validate the approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Modeling direct interband tunneling. I. Bulk semiconductors

Interband tunneling is frequently studied using the semiclassical Kane model, despite uncertainty about its validity. Revisiting the physical basis of this formula, we find that it neglects coupling to other bands and underestimates transverse tunneling. As a result, significant errors can arise at low and high fields for small and large gap materials, respectively. We derive a simple multiband tunneling model to correct these defects analytically without arbitrary parameters. Through extensive comparison with band structure and quantum transport calculations for bulk InGaAs, InAs, and InSb, we probe the accuracy of the Kane and multiband formulas and establish the superiority of the latter. We also show that the nonlocal average electric field should be used when applying either of these models to nonuniform potentials. Our findings are important for efficient analysis and simulation of bulk semiconductor devices involving tunneling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

A magnetic diagnostic suite for the Pegasus-III experiment

Pegasus-III is an ultralow aspect ratio spherical tokamak providing a dedicated US experiment for comparative solenoid-free startup studies. A new magnetic diagnostic suite for equilibrium and low frequency (<200 kHz) magnetohydrodynamic mode analysis has been installed. These new diagnostics address the significant challenges of measuring magnetic field in a high noise environment with the majority constrained to fit in an 8 mm diagnostic gap on the high field side. Electrostatic switching noise generated by the 16 independent current feedback-controlled power supplies produces dV cm /dt ~ 1 kV/μs and volt level common mode noise on the magnetics. Immunity to this switching noise is accomplished through differential signal runs and signal processing, along with end-to-end electromagnetic interference shielding. The magnetic measurements are simultaneously digitized at 1 MHz and conditioned by precision 8 pole Butterworth filters with a corner frequency of 200 kHz to prevent aliasing down to the 16-bit level over the full passband. Ex-vessel calibrations of the B p coils were completed with a typical uncertainty of <0.5%. Stray toroidal field pickup from coil misalignment or positioning errors is corrected using a physics-based model. Comparisons of the corrected measurements to modeling agree to within 1.3% on average. This is within the 1.5% measurement uncertainty that a sensitivity analysis determined is needed for accurate fast boundary and equilibrium reconstruction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Mass dependence of halo baryon fractions from the kinetic Sunyaev–Zeldovich effect

ABSTRACT We detect the kinetic Sunyaev–Zeldovich imprint of peculiar motions of galaxy groups and clusters, using the photometric Dark Energy Spectroscopic Instrument Legacy Surveys together with cosmic microwave background (CMB) maps from the Atacama Cosmology Telescope (ACT). We develop a comprehensive forward model based on the AbacusSummit cosmological simulations: Mock galaxy group catalogues and synthetic kinetic Sunyaev–Zeldovich (kSZ) maps are generated, together with a reconstructed peculiar velocity field that allows for photo-z errors, redshift-space distortions, and survey masks. We investigate possible contamination from the cosmic infrared background (CIB), finding that CIB effects are subdominant to the kSZ signal in the relevant ACT frequency channel. We then predict the kSZ signal expected when stacking CMB temperature maps around groups, taking account of their estimated radial velocities. Comparing the model with observations, we are able to constrain the total baryon fraction within haloes, as well as their internal gas profiles. We find evidence for mass dependence of the halo baryon fraction within the virial radius. The gas fraction in massive groups is consistent with the universal baryon fraction, but low-mass groups ($10^{12.5} \lesssim M\, /\, h^{-1}\, \mathrm{M}_\odot \lesssim 10^{14}$) are depleted to $0.38 \pm 0.11$ times the universal baryon fraction. We find this low virial baryon fraction to be consistent with an extended gas profile, for which the total baryon content reaches the universal value well beyond the virial radius. This conclusion is consistent with previous analyses using X-ray, kSZ, and weak lensing, and plausibly reflects energetic feedback processes from the galaxies in these haloes.

Roper, Finn A [Institute for Astronomy, University↗

DOE OSTI2020

Analysis of the ghost and mirror fields in the Nernst signal induced by superconducting fluctuations

In this work, we present a complete analysis of the Nernst signal due to superconducting fluctuations in a large variety of superconductors from conventional to unconventional ones. A closed analytical expression of the fluctuation contribution to the Nernst signal is obtained in a large range of temperature and magnetic field. We apply this expression directly to experimental measurements of the Nernst signal in Nb x Si 1-x thin films and URu 2 Si 2 superconductors. Both magnetic field and temperature dependence of the available data are fitted with very good accuracy using only two fitting parameters, the superconducting temperature T c0 and the upper critical field H c2 (0). The obtained values agree very well with experimentally obtained values. We also extract the ghost lines (the maximum of the Nernst signal for constant temperature or magnetic field) from the complete expression and also compare it to several experimentally obtained curves. Our approach predicts a linear temperature dependence for the ghost critical field well above T c0 . Within the errors of the experimental data, this linearity is indeed observed in many superconductors far from T c0 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Field deployable pushbroom hyperspectral imaging polarimeter

Hyperspectral imaging polarimetry enables both the spectrum and its spectrally-resolved state of polarization to be measured. This information is important to identify material properties for various applications in remote sensing and agricultural monitoring. In this paper, we describe the design and performance of a ruggedized, field deployable Hyperspectral Imaging Polarimeter (HIP), designed for wavelengths spanning the visible to near infrared (450-800 nm). An entrance slit was used to sample the scene in a pushbroom scanning mode across a 30 degree vertical by 110 degree horizontal field of view. Furthermore, athermalized achromatic retarders were implemented in a channel spectrum generator to measure the linear Stokes parameters. The mechanical and optical layout of the system and its peripherals are provided, in addition to the results of the sensor's spectral and polarimetric calibration. Finally, field measurements are also provided and an error analysis conducted. With its present calibration, the sensor has an absolute polarimetric error of 2.5% RIVIS and a relative spectral error of 2.3% RMS.

47 OTHER INSTRUMENTATION↗