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At least 163 records · Page 9

Generative adversarial networks for scintillation signal simulation in EXO-200

Generative Adversarial Networks trained on samples of simulated or actual events have been proposed as a way of generating large simulated datasets at a reduced computational cost. In this work, a novel approach to perform the simulation of photodetector signals from the time projection chamber of the EXO-200 experiment is demonstrated. The method is based on a Wasserstein Generative Adversarial Network — a deep learning technique allowing for implicit non-parametric estimation of the population distribution for a given set of objects. Our network is trained on real calibration data using raw scintillation waveforms as input. We find that it is able to produce high-quality simulated waveforms an order of magnitude faster than the traditional simulation approach and, importantly, generalize from the training sample and discern salient high-level features of the data. In particular, the network correctly deduces position dependency of scintillation light response in the detector and correctly recognizes dead photodetector channels. Furthermore, the network output is then integrated into the EXO-200 analysis framework to show that the standard EXO-200 reconstruction routine processes the simulated waveforms to produce energy distributions comparable to that of real waveforms. Finally, the remaining discrepancies and potential ways to improve the approach further are highlighted.

47 OTHER INSTRUMENTATION↗

Spaceborne Simulations of Two Direct-Detection Doppler Lidar Techniques

Direct-detection (or incoherent) lidar is now a proven technique for measuring winds in the atmosphere. Over the last few years, several types of direct-detection lidar have evolved. These methods rely on Fabry-Perot interferometers(also termed etalons) or other narrow-passband filters to provide the required spectral resolution. One method, now called the edge (EDG) technique, uses a sharply-sloping filter and measures changes in the filter transmission caused by Doppler shifting of the laser wavelength. A variation of the EDG method, called the double-edge (DEDG) technique, uses two filters. The molecular DEDG method was first demonstrated by Chanin et al. for stratospheric measurements and more recently Korb et al. successfully demonstrated the aerosol DEDG through the troposphere. A second method, here termed the multi-channel (MC) technique, measures Doppler shifts by observing angular displacement of a Fabry-Perot fringe in a spatially resolving detector. The EDG technique thus employs the Fabry-Perot to convert the frequency shift into an amplitude signal, while the MC technique uses the Fabry-Perot to resolve the spectral signature which is then fitted to determine the centroid. The focus of this presentation is on the DEDG and MC methods because these are viewed as the current state of the art in direct-detection lidar. Successful ground-based demonstrations of direct-detection wind measurements have resulted in proposals for spaceborne systems. With this new emphasis on spaceborne systems comes the need for accurate prediction of spaceborne direct-detection Doppler lidar performance. Previously, the EDG and MC methods have been compared although only for aerosol Doppler systems. A recent paper by McGill and Spinhirne compares the DEDG and MC methods in a non-system specific manner for both the aerosol and molecular Doppler systems. The purpose of this presentation is to extend the previous work of McGill and Spinhirne to examine the performance of spaceborne profiling systems. Particular emphasis will be placed on the molecular systems, as these are viewed as the strength of direct-detection Doppler lidar.

McGill, Matthew J.↗

A High-Magnetic-Field Polarized 3He Target for Jefferson Lab’s CLAS12 Spectrometer

We are developing a polarized 3He target concept for use in high luminosity electron scattering experiments in the high magnetic field environment of Jefferson Lab's CLAS12 spectrometer. By combining recent advancements in metastability exchange optical pumping of 3He with cryogenic, double-cell target methods such as those used for the MIT-Bates 88-02 experiment, a target with polarization and gas density comparable to traditional, low-field polarized 3He targets can be reached within high magnetic fields. We have established a new 3He pumping system at JLab, and are preparing for our first tests exploring polarization performance versus magnetic field and gas pressure in a single cell before we move to the construction of a full, cryogenic, double-cell prototype target.

Maxwell, James↗

A High-Magnetic-Field Polarized 3He Target for JLab's CLAS12 Spectrometer

We are developing a polarized 3He target for use in high luminosity electron scattering experiments within the high magnetic field environment of Jefferson Lab's CLAS12 spectrometer. By combining recent advancements in metastability exchange optical pumping (MEOP) of 3He with cryogenic, double-cell target methods as used for the MIT-Bates 88-02 experiment, a target with polarization and gas density comparable to traditional, low-field polarized 3He targets can be reached within high magnetic field environments. We have begun polarizing sealed 3He cells at fields up to 5 T at Jefferson Lab, and are preparing for our first tests exploring polarization performance versus magnetic field and gas pressure in a single cell before we move to the construction of a full, cryogenic, double-cell prototype target. A key focus of our research is the determination of polarization relaxation under the irradiation of an ionizing particle beam within high magnetic fields.

Maxwell, James↗

Oxygen-18 tracer study of the passive thermal oxidation of silicon

This work focuses on the thermal oxidation of silicon near 1273 K using the double-tracer oxidation method. The results confirm that oxidation occurs by the transport of electrically neutral nonnetwork oxygen through the interstitial space of the vitreous silica (v-SiO2) scale. Simultaneously, self- (or isotopic-) diffusion occurs in the network, resulting in characteristic isotopic fraction distributions near the gas-scale interface. The self-diffusion coefficients calculated from these profiles agree with those reported for tracer diffusion in v-SiO2, and the diffusion coefficient calculated from the scale growth is consistent with reported O2 permeation data. An important parameter that describes the double-oxidation behavior is a ratio relating the scale thickness grown during the second oxidation, the network self-diffusion coefficient for oxygen, and the time of the second oxidation.

Cawley, J. D.↗

Inversion-based correction of Double-Torsion (DT) subcritical crack growth tests for crack profile geometry

Because of its simplicity and the ability to produce a stable, slow-propagating crack, the Double-Torsion (DT) method has been used widely for investigating the critical and subcritical propagation of a slow-propagating tensile (mode-I) crack. However, to determine the complex relationship between the crack velocity $\mathcal{v_c}$ vs. the strain energy release rate $\mathscr{G}$ (or the stress intensity factor K) from laboratory measurements, several corrections must be made to account for the impact of sample and crack geometry. Particularly, DT test typically produces a crack with a curved edge profile instead of a straight line, causing the local $\mathcal{v_c}$ and $\mathscr{G}$ vary along the crack front. The experimentally measured $\mathcal{v_c}$ and $\mathscr{G}$ data merely reflect collective, averaged behavior of the crack. This makes inversion for the intrinsic, “true” crack growth kinetics necessary, based upon the knowledge of the crack geometry. Simple and effective correction methods have been proposed and validated for the slow, chemical-reaction-controlled part (Region I) of the $\mathcal{v_c}$-$\mathscr{G}$ curve. However, reliable methods for the highly nonlinear, transport-dominated part (Region II) and its sudden transition to the dynamic propagation part (Region III) are still lacking. Here we propose a method for determining the intrinsic $\mathcal{v_c}$-$\mathscr{G}$ relationship across all three Regions based upon DT test data, using a simple model function and its numerical inversion. The performance of this approach is examined and demonstrated using both synthetic and laboratory data for subcritical crack growth in soda lime glass.

42 ENGINEERING↗

Application of Coupled-Cluster Methods to the Prediction and Interpretation of the Spectra of Molecules of Interest in Atmospheric Chemistry

The quality of fundamental vibrational frequencies determined using the CCSD(T) method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations) is shown to be very good, usually predicting band centers to within +/-8/cm. This approach is applied to several molecules of interest in atmospheric chemistry, including HNO, NO2(+), H2CO, and HOCl. The HNO molecule displays a large and unusual anharmonicity in the H-N stretch. For the calculation of ultraviolet (UV) spectra, the linear response CCSD (LRCCSD) approach (which is equivalent to EOM-CCSD) has been shown to yield vertical excitation energies that are accurate to approximately 0.1 eV for singly excited electronic states. This method together with more approximate methods is used to examine the UV spectra of several molecules important in stratospheric chemistry, including HOCl, Cl2O, ClOOCl, ClOOH, and HOOH.

Lee, Timothy J.↗

Ab Initio Studies of Fluorine and Chlorine Oxide and Nitrogen Oxide Species of Interest in Stratospheric Chemistry

The quality of fundamental vibrational frequencies determined using the CCSD(T) method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations) is shown to be very good, usually predicting band centers to within plus or minus 8 per centimeter. This approach is applied to several molecules of interest in atmospheric chemistry, such as HNO, cis-FONO, cis-ClONO, and ClOOH. The HNO molecule displays a large and unusual anharmonicity in the H-N stretch. For the calculation of ultraviolet (UV) spectra, the linear response CCSD (LRCCSD) approach (which is equivalent to EOM-CCSD) has been shown to yield vertical excitation energies that are accurate to approximately equal to 0.1 eV for singly excited electronic states. This method together with more approximate methods is used to examine the UV spectra of several molecules important in stratospheric chemistry, including HOCl, Cl2O, ClONO2, HONO2, ClOOCl, ClOOH, and HOOH.

Lee, Timothy J.↗

Design of double- and multi-bend achromat lattices with large dynamic aperture and approximate invariants

A numerical method to design nonlinear double- and multi-bend achromat (DBA and MBA) lattices with approximate invariants of motion is investigated. The search for such nonlinear lattices is motivated by Fermilab’s Integrable Optics Test Accelerator (IOTA), whose design is based on an integrable Hamiltonian system with two invariants of motion. While it may not be possible to design an achromatic lattice for a dedicated synchrotron light source storage ring with one or more exact invariants of motion, it is possible to tune the sextupoles and octupoles in existing DBA and MBA lattices to produce approximate invariants. In our procedure, the lattice is tuned while minimizing the turn-by-turn fluctuations of the Courant-Snyder actions J x and J y at several distinct amplitudes, while simultaneously minimizing diffusion of the on-energy betatron tunes. The resulting lattices share some important features with integrable ones, such as a large dynamic aperture, trajectories confined to invariant tori, robustness to resonances and errors, and a large amplitude-dependent tune-spread. Compared to the nominal NSLS-II lattice, the single- and multi-bunch instability thresholds are increased and the bunch-by-bunch feedback gain can be reduced.

43 PARTICLE ACCELERATORS↗

Numerical analysis of spectral properties of coupled oscillator Schroedinger operators. I - Single and double well anharmonic oscillators

Several methods for computing many eigenvalues and eigenfunctions of a single anharmonic oscillator Schroedinger operator whose potential may have one or two minima are described. One of the methods requires the solution of an ill-conditioned generalized eigenvalue problem. This method has the virtue of using a bounded amount of work to achieve a given accuracy in both the single and double well regions. Rigorous bounds are given, and it is proved that the approximations converge faster than any inverse power of the size of the matrices needed to compute them. The results of computations for the g:phi(4):1 theory are presented. These results indicate that the methods actually converge exponentially fast.

Isaacson, D.↗

Optimization of the generator coordinate method with machine-learning techniques for nuclear spectra and neutrinoless double- β decay: Ridge regression for nuclei with axial deformation

The generator coordinate method (GCM) is an important tool of choice for modeling large-amplitude collective motion in atomic nuclei. The computational complexity of the GCM increases rapidly with the number of collective coordinates. It imposes a strong restriction on the applicability of the method. In this work, we propose a subspace-reduction algorithm that employs optimal statistical ML models as surrogates for exact quantum-number projection calculations for norm and Hamiltonian kernels. The model space of the original GCM is reduced to a subspace relevant for nuclear low energy spectra and the NME of ground state to ground state 0νββ decay based on the orthogonality condition (OC) and the energy-transition-orthogonality procedure (ENTROP), respectively. For simplicity, the polynomial ridge regression (RR) algorithm is used to learn the norm and Hamiltonian kernels of axially deformed configurations. The efficiency and accuracy of this algorithm are illustrated for 76 Ge and 76 Se by comparing results obtained using the optimal RR models to direct GCM calculations. The low-lying energy spectra of 76 Ge and 76 Se, as well as the 0νββ-decay NME between their ground states, are computed. Furthermore, the results show that the performance of the GCM+OC/ENTROP+RR is more robust than that of the GCM+RR alone, and the former can reproduce the results of the original GCM calculation accurately with a significantly reduced computational cost.

59 ≤ A ≤ 89↗

Assessment of GOES-16/ABI middle wave infrared band using references of Himawari-8/AHI and Aqua/MODIS

GOES-16 is the first of the GOES-R series of Geostationary Operational Environmental Satellites (GOES) and was launched on November 19, 2016. The spacecraft was initially in a test position of 89.5° West and reached its operational position (75.2° West) on December 11, 2017. The Himawari-8 spacecraft was launched on October 7, 2014 and is located at 140.7º East. The similar design and similar calibration algorithm between the Advanced Baseline Imager (ABI) on-board GOES-16 and the Advanced Himawari Imager (AHI) on board Himawari-8 makes the importance of inter-comparison. Due to their locations, double difference is an appropriate method for their comparison and Aqua MODIS is one of good references. However, ABI (AHI) midwave-infrared (MWIR) band 7 does not have good matching with Aqua MODIS. In this work, the ABI-AHI comparison and ABI assessment for MWIR band 7 is performed using Aqua bands 20, 22, and 23. The ocean sites under ABI (AHI) at nadir are used for inter-comparison with Aqua MODIS. To enhance the comparison accuracy, a few procedures and corrections have been applied. For MWIR band 7, the ABI-AHI difference is about -0.39K over ocean scene, with the ABI measurement precision being slightly better than that of AHI. This double difference method is also being used for the assessment of ABI consistency before and after re-location on November 30, 2017. Two ocean scenes are selected for the ABI re-location assessments, with measurement precision at nadir providing better measurements than non-zero view angles. The ABI MWIR measurement over the ocean scene at the same view angle before and after re-location shows that the precisions are comparable. The MWIR band brightness temperature (BT) measurement over ocean scene shows a 0.04K difference, while the measurement precision before and after re-location is consistent.

Inter-comparison↗

Measurement of the Non-common Vertex Error of a Double Corner Cube

The Space Interferometry Mission (SIM) requires the control of the optical path of each interferometer with picometer accuracy. Laser metrology gauges are used to measure the path lengths to the fiiducial corner cubes at the siderostats. Due to the geometry of SIM a single corner cube does not have sufficient acceptance angle to work with all the gauges. Therefore SIM employs a double corner cube. Current fabrication methods are in fact not capable of producing such a double corner cube with vertices having sufficient commonality. The plan for SIM is to measure the non-commonalty of the vertices and correct for the error in orbit. SIM requires that the non-common vertex error (NCVE) of the double corner cube to be less than 6 (mu)m. The required accuracy for the knowledge of the NCVE is less than 1 (mu)m. This paper explains a method of measuring non-common vertices of a brassboard double corner cube with sub-micron accuracy. The results of such a measurement will be presented.

Space Interferometry Mission (SIM)↗

Haploidy and aneuploidy in switchgrass mediated by misexpression of CENH3

Cross bred species such as switchgrass may benefit from advantageous breeding strategies requiring inbred lines. Doubled haploid production methods offer several ways that these lines can be produced that often involve uniparental genome elimination as the rate limiting step. We have used a centromere-mediated genome elimination strategy in which modified CENH3 is expressed to induce the process. Transgenic tetraploid switchgrass lines coexpressed Cas9, a poly-cistronic tRNA-gRNA tandem array containing eight guide RNAs that target two CENH3 genes, and different chimeric versions of CENH3 with alterations to the N-terminal tail region. Genotyping of CENH3 genes in transgenics identified edits including frameshift mutations and deletions in one or both copies of the two CENH3 genes. Flow cytometry of T 1 seedlings identified two T 0 lines that produced five haploid individuals representing an induction rate of 0.5% and 1.4%. Eight different T0 lines produced aneuploids at rates ranging from 2.1 to 14.6%. A sample of aneuploid lines were sequenced at low coverage and aligned to the reference genome, revealing missing chromosomes and chromosome arms.

59 BASIC BIOLOGICAL SCIENCES↗

Electrodeposited nickel coatings for exceptional corrosion mitigation in industrial grade molten chloride salts for concentrating solar power

Molten chloride salt eutectics are attractive candidates for use as thermal energy storage media and heat transfer fluids in generation-three concentrating solar thermal power (Gen3 CSP) plants. However, corrosion of alloys in molten chloride salts, especially at high temperatures, is an extremely challenging problem that studies focus on lower temperatures, shorter durations, or analytical grade, and high-purity, salts. To date, there has been no study on corrosion or corrosion mitigation in an industrial-grade salt at a high temperature such as 750 °C. To alleviate this knowledge gap, the study presents new multiscale fractal-textured Ni coatings on various alloy surfaces for effective corrosion mitigation at 750 °C in molten chloride salts. Using the electrodeposition method, durable double-layer textured coatings were formed on stainless steel alloys (SS316, SS310, and SS347) and In800H. The corrosion performance of the coatings is investigated in both analytical-grade purity and, for the first time, practically relevant industrial-grade chloride salts. Ni-coated ferrous alloys showed an exceptionally reduced corrosion rate in the range of 350–480 μm/y in analytical-grade salts, and between 450 and 490 μm/y in purified industrial-grade salts at 750 °C. Ni coatings on ferrous alloys reduced corrosion rates by as much as 70% compared to uncoated surfaces and were comparable to the expensive Ha230 alloy with a high Ni content. As a result, by the use of innovative fractal corrosion mitigation coatings, for the first time, low-cost structural alloys are rendered viable for use with industrial-grade chloride salts, which is profoundly beneficial in practical systems.

14 SOLAR ENERGY↗

GPU acceleration of rank-reduced coupled-cluster singles and doubles

Here, we have developed a graphical processing unit (GPU) accelerated implementation of our recently introduced rank-reduced coupled-cluster singles and doubles (RR-CCSD) method. RR-CCSD introduces a low-rank approximation of the doubles amplitudes. This is combined with a low-rank approximation of the electron repulsion integrals via Cholesky decomposition. The result of these two low-rank approximations is the replacement of the usual fourth-order CCSD tensors with products of second- and third-order tensors. In our implementation, only a single fourth-order tensor must be constructed as an intermediate during the solution of the amplitude equations. Owing in large part to the compression of the doubles amplitudes, the GPU-accelerated implementation shows excellent parallel efficiency (95% on eight GPUs). Our implementation can solve the RR-CCSD equations for up to 400 electrons and 1550 basis functions—roughly 50% larger than the largest canonical CCSD computations that have been performed on any hardware. In addition to increased scalability, the RR-CCSD computations are faster than the corresponding CCSD computations for all but the smallest molecules. We test the accuracy of RR-CCSD for a variety of chemical systems including up to 1000 basis functions and determine that accuracy to better than 0.1% error in the correlation energy can be achieved with roughly 95% compression of the ov space for the largest systems considered. We also demonstrate that conformational energies can be predicted to be within 0.1 kcal mol -1 with efficient compression applied to the wavefunction. Finally, we find that low-rank approximations of the CCSD doubles amplitudes used in the similarity transformation of the Hamiltonian prior to a conventional equation-of-motion CCSD computation will not introduce significant errors (on the order of a few hundredths of an electronvolt) into the resulting excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improved Cross Section Generation Capability of Griffin in FY22

The Griffin code is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. The code includes a variety of deterministic steady-state transport solvers for fixed source, k-eigenvalue, adjoint, and subcritical multiplication as well as transient solvers for spatial dynamics with the improved quasi-static method. Griffin uses cross section data in the ISOXML format generated from external deterministic or Monte Carlo cross section generation codes. In recent years, the MC 2 -3 modules have been added to Griffin for fast reactor cross section generation, and the self-shielding application programming interface (SSAPI) was implemented in the ISOXML module for thermal reactor cross section generation. The on-the-fly slowing down method and double-heterogeneity treatment have been implemented to SSAPI and verified against particulate fuel-bearing graphite-moderated thermal reactor problems with high accuracy. This year, work has been focused on improving the cross section generation capability of ISOXML and streamlining the cross section generation procedures. In addition, the form function data were added to ISOXML in order to support the pin power reconstruction capability that was newly implemented in Griffin in this fiscal year. To facilitate the cross section generation using MC 2 -3 and SSAPI in Griffin, the cross section generation workflows have been set up for both fast and thermal spectrum reactors. The MOOSE action system tool was devised for fast spectrum problems, and the MOOSE stochastic tool was adopted to the branch calculation procedure for thermal spectrum problems. Meanwhile, to ensure the accuracy of group-constants, the thermal up-scattering kernel calculator accounting for resonance scattering was implemented in ISOXML, demonstrating the accurate computation of a Doppler-broadened scattering kernel of any Legendre order within a reasonable timescale. Other aspects of ISOXML, such as deletion solver and data, documentation, ISOXML file management, and the interface for Mixture, were improved as well.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Multidimensional Coherent Spectroscopy of van der Waals materials and heterostructures (Final Technical Report)

This project advanced multidimensional coherent spectroscopy (MDCS) and related spectroscopic-imaging methods as quantitative probes of many-body optical excitations in two-dimensional (2D) van der Waals (vdW) semiconductors and their heterostructures. Monolayer transition-metal dichalcogenides (TMDs) such as MoSe 2 and WSe 2 provide a uniquely strong platform for excitonic physics due to reduced dielectric screening, which enhances Coulomb interactions and makes higher-order correlated states (e.g., biexcitons and exciton–trion correlations) more prominent than in conventional bulk semiconductors. At the same time, the same sensitivity that enables strong interactions also increases susceptibility to spatial inhomogeneity—e.g., strain gradients, wrinkles, nanoscale disorder potentials, and charge puddling—which can broaden resonances, obscure interaction signatures, and complicate device-to-device reproducibility. The work reported here addressed this dual opportunity and challenge by: (i) developing and deploying coherent multidimensional methods (including double-quantum MDCS) capable of isolating interaction signals with reduced background, (ii) integrating electrostatic control to tune carrier populations and interaction strengths in situ, and (iii) introducing complementary spatially resolved photoluminescence (PL) techniques—hyperspectral PL imaging and polarization-/field-dependent PL lineshape analysis—to directly quantify disorder, strain, and localization that govern the coherent response.

36 MATERIALS SCIENCE↗