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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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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Design and simulation of the snowflake divertor control for NSTX-U

This study presents the development of a physics-based multiple-input-multiple-output algorithm for real-time feedback control of snowflake divertor (SFD) configurations on the National Spherical Torus eXperiment Upgrade (NSTX-U). A model of the SFD configuration response to applied voltages on the divertor control coils is first derived and then used, in conjunction with multivariable control synthesis techniques, to design an optimal state feedback controller for the configuration. To demonstrate the capabilities of the controller, a nonlinear simulator for axisymmetric shape control was developed for NSTX-U which simultaneously evolves the currents in poloidal field coils based upon a set of feedback-computed voltage commands, calculates the induced currents in passive conducting structures, and updates the plasma equilibrium by solving the free-boundary Grad-Shafranov problem. Closed-loop simulations demonstrate that the algorithm enables controlled operations in a variety of SFD configurations and provides capabilities for accurate tracking of time-dependent target trajectories for the divertor geometry. In particular, simulation results suggest that a time-varying controller which can properly account for the evolving SFD dynamical response is not only desirable but necessary for achieving acceptable control performance. The algorithm presented in this paper has been implemented in the NSTX-U Plasma Control System in preparation for future control and divertor physics experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Design and simulation of the snowflake divertor control for NSTX-U

This paper presents the development of a physics-based multiple-input-multiple-output algorithm for real-time feedback control of snowflake divertor (SFD) configurations on the National Spherical Torus eXperiment Upgrade (NSTX-U). A model of the SFD configuration response to applied voltages on the divertor control coils is first derived and then used, in conjunction with multivariable control synthesis techniques, to design an optimal state feedback controller for the configuration. To demonstrate the capabilities of the controller, a nonlinear simulator for axisymmetric shape control was developed for NSTX-U which simultaneously evolves the currents in poloidal field coils based upon a set of feedback-computed voltage commands, calculates the induced currents in passive conducting structures, and updates the plasma equilibrium by solving the free-boundary Grad-Shafranov problem. Closed-loop simulations demonstrate that the algorithm enables controlled operations in a variety of SFD configurations and provides capabilities for accurate tracking of time-dependent target trajectories for the divertor geometry. In particular, simulation results suggest that a time-varying controller which can properly account for the evolving SFD dynamical response is not only desirable but necessary for achieving acceptable control performance. The algorithm presented in this paper has been implemented in the NSTX-U Plasma Control System in preparation for future control and divertor physics experiments.

snowflake divertor, MIMO feedback control, nonline↗
DOE OSTI2025

ARM SGP PBLH and MLH datasets from Raman lidar and Doppler lidar

The planetary boundary layer (PBL) plays a critical role in the atmosphere by transferring heat, moisture, and momentum. The warm PBL has a distinct diurnal cycle including the daytime convective mixing layer (ML) and nighttime residual layer developments. Thus, simultaneous determinations of PBL height (PBLH) and ML height (MLH) are necessary for studying PBL characterization and processes. Here, new approaches are developed to provide reliable PBLH and MLH estimates to characterize warm PBL evolution. The approaches use Raman lidar (RL) water vapor mixing ratio (WVMR) and Doppler lidar (DL) vertical velocity measurements at the Southern Great Plains (SGP) atmospheric observatory, which was established by the Atmospheric Radiation Measurement (ARM) User Facility. Compared to widely used lidar aerosol measurements for PBLH, WVMR is a better tracer for PBL vertical mixing. For PBLH, the approach classifies PBL water vapor structures into a few general patterns, then uses a slope method and dynamic threshold method to determine PBLH. For MLH, wavelet analysis is used to reconstruct 2D variance from DL vertical wind velocity measurements according to the turbulence eddy size to minimize the impacts of gravity wave and eddy size on variance calculations; then, a dynamic threshold method is used to determine MLH. Remotely-sensed PBLHs and MLHs are compared with radiosonde measurements based on the Richardson number method. Good agreements between them confirm that the proposed new algorithms are reliable for PBLH and MLH characterization. The algorithms are applied to warm-season RL and ML measurements at the SGP site for five years to study warm-season PBL structure and processes. The weekly composited diurnal evolutions of PBLHs and MLHs in a warm climate were provided to illustrate diurnal and seasonal PBL evolutions. This reliable data set of PBLH and MLH values will be valuable for studying PBL processes, model evolution, and PBL parameterization improvements. The MLH dataset includes the MLH in values of km above ground level. The PBLH dataset includes the PBLH in values of km above ground level, along with a flag ("situation_PBLH") to determine the state of the PBL (1 = Cloudy Condition, 2 = Stable Layer, 3 = Multi-layer WVMR structure, 4 = Well-Mixed PBL, 5 = A de-coupled layer, 6 = Other).

mixing layer height↗
DOE OSTI2013

Impacts of Microphysical Scheme on Convective and Stratiform Characteristics in Two High Precipitation Squall Line Events

This study investigates the impact of snow, graupel, and hail processes on the simulated squall lines over the Southern Great Plains in the United States. Weather Research and Forecasting (WRF) model is used to simulate two squall line events in May 2007, and the results are validated against radar and surface observations in Oklahoma. Several microphysics schemes are tested in this study, including WRF 5-Class Microphysics Scheme (WSM5), WRF 6-Class Microphysics Scheme (WSM6), Goddard Three Ice scheme (Goddard 3-ice) with graupel, Goddard Two Ice scheme (Goddard 2-ice), and Goddard 3-ice hail scheme. The simulated surface precipitation is sensitive to the microphysics scheme, and especially to whether graupel or hail category is included. All of the three ice (3-ice) schemes overestimated the total precipitation, within which WSM6 has the highest overestimation. Two ice (2-ice) schemes, missing a graupel/hail category, produced less total precipitation than 3-ice schemes. By applying a radar-based convective/stratiform partitioning algorithm, we find that by including the graupel/hail processes, there is an increase in areal coverage, precipitation intensity, updraft and downdraft intensity in convective region and a reduction of areal coverage and its precipitation intensity in stratiform region. For vertical structures, all the bulk schemes, especially 2-ice schemes, have the highest reflectivity located at upper levels (~8 km), which is unrealistic compared to observations. In addition, this study shows the radar-based convective/stratiform partitioning algorithm can reasonably identify WRF simulated precipitation, wind and microphysics fields in both convective and stratiform regions.

characteristics↗
DOE OSTI2016

A template-based approach for parallel hexahedral two-refinement

Here, we provide a template-based approach for generating locally refined all-hex meshes. We focus specifically on refinement of initially structured grids utilizing a 2-refinement approach where uniformly refined hexes are subdivided into eight child elements. The refinement algorithm consists of identifying marked nodes that are used as the basis for a set of four simple refinement templates. The target application for 2-refinement is a parallel grid-based all-hex meshing tool for high performance computing in a distributed environment. The result is a parallel consistent locally refined mesh requiring minimal communication and where minimum mesh quality is greater than scaled Jacobian 0.3 prior to smoothing.

2-refinement↗
DOE OSTI2019

Two-tier model reduction of viscoelastically damped finite element models

Transient simulations of linear viscoelastically damped structures necessitate critical computational resources to directly integrate the full-order finite element model with time-stepping algorithms. Traditional modal reduction techniques are not directly applicable to these systems since viscoelastic materials depend on time and frequency. A more appropriate reduction basis is obtained from the nonlinear, complex eigenvalue problem, whose eigenvectors capture the appropriate kinematics and enable frequency-based mode selection; unfortunately, the computational cost is prohibitive for computing these modes from large-scale engineering models. To address this shortcoming, this work proposes a novel two-tier reduction procedure to reduce the upfront cost of solving the complex, nonlinear eigenvalue problem. The first reduction step reduces the full-order model with real mode shapes linearized about various centering frequencies to capture the kinematics over a full range of viscoelastic material behavior (glassy, rubbery, and glass-transition zones). This tier-one reduction preserves time-temperature superposition and allows the equations to depend parametrically on operating temperature. The second-level reduction then solves the complex, nonlinear eigenmode solutions in the tier-one reduced space about a fixed temperature to further reduce the equations-of-motion. The method is demonstrated on a cantilevered sandwich plate to display its accuracy and efficiency in comparison to full-order model predictions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Identifying chemically similar multiphase nanoprecipitates in compositionally complex non-equilibrium oxides via machine learning

Abstract Characterizing oxide nuclear fuels is difficult due to complex fission products, which result from time-evolving system chemistry and extreme operating environments. Here, we report a machine learning-enhanced approach that accelerates the characterization of spent nuclear fuels and improves the accuracy of identifying nanophase fission products and bubbles. We apply this approach to commercial, high-burnup, irradiated light-water reactor fuels, demonstrating relationships between fission product precipitates and gases. We also gain understanding of the fission versus decay pathways of precipitates across the radius of a fuel pellet. An algorithm is provided for quantifying the chemical segregation of the fission products with respect to the high-burnup structure, which enhances our ability to process large amounts of microscopy data, including approaching the atomistic-scale. This may provide a faster route for achieving physics-based fuel performance modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The Jastrow antisymmetric geminal power in Hilbert space: Theory, benchmarking, and application to a novel transition state

The Jastrow-modified antisymmetric geminal power (JAGP) ansatz in Hilbert space successfully overcomes two key failings of other pairing theories, namely, a lack of inter-pair correlations and a lack of multiple resonance structures, while maintaining a polynomially scaling cost, variational energies, and size consistency. Here, we present efficient quantum Monte Carlo algorithms that evaluate and optimize the JAGP energy for a cost that scales as the fifth power of the system size. We demonstrate the JAGP’s ability to describe both static and dynamic correlation by applying it to bond stretching in H{sub 2}O, C{sub 2}, and N{sub 2} as well as to a novel, multi-reference transition state of ethene. JAGP’s accuracy in these systems outperforms even the most sophisticated single-reference methods and approaches that of exponentially scaling active space methods.

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

Variational design principles for nonequilibrium colloidal assembly

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to enhanced stability of that structure. Such a relationship can be formulated into a variational principle, for which we have developed an associated optimization algorithm and have used it to determine optimal forces for targeted self-assembly within nonequilibrium steady-states. We illustrate this perspective on inverse design in a model of colloidal cluster assembly within linear shear flow. We find that colloidal clusters can be assembled with high yield using specific short-range interactions of tunable complexity. Shear decreases the yields of rigid clusters, while small values of shear increase the yields of nonrigid clusters. The enhancement or suppression of the yield due to shear is rationalized with a generalized linear response theory. Furthermore, by studying 21 unique clusters made of six, seven, or eight particles, we uncover basic design principles for targeted assembly out of equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Tractable flux-driven temperature, density, and rotation profile evolution with the quasilinear gyrokinetic transport model QuaLiKiz

Quasilinear turbulent transport models are a successful tool for prediction of core tokamak plasma profiles in many regimes. Their success hinges on the reproduction of local nonlinear gyrokinetic fluxes. We focus on significant progress in the quasilinear gyrokinetic transport model QuaLiKiz (Bourdelle et al 2016 Plasma Phys. Control. Fusion 58 014036), which employs an approximated solution of the mode structures to significantly speed up computation time compared to full linear gyrokinetic solvers. Optimisation of the dispersion relation solution algorithm within integrated modelling applications leads to flux calculations $\times {10}^{6-7}$ faster than local nonlinear simulations. This allows tractable simulation of flux-driven dynamic profile evolution including all transport channels: ion and electron heat, main particles, impurities, and momentum. Furthermore, QuaLiKiz now includes the impact of rotation and temperature anisotropy induced poloidal asymmetry on heavy impurity transport, important for W-transport applications. Application within the JETTO integrated modelling code results in 1 s of JET plasma simulation within 10 h using 10 CPUs. Simultaneous predictions of core density, temperature, and toroidal rotation profiles for both JET hybrid and baseline experiments are presented, covering both ion and electron turbulence scales. The simulations are successfully compared to measured profiles, with agreement mostly in the 5%–25% range according to standard figures of merit. QuaLiKiz is now open source and available at www.qualikiz.com.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Qubit coupled cluster singles and doubles variational quantum eigensolver ansatz for electronic structure calculations

Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles excitations (UCCSD) VQE ansatz has achieved high accuracy and received a lot of research interest. However, the UCCSD VQE based on fermionic excitations needs extra terms for the parity when using Jordan–Wigner transformation. Here we introduce a new VQE ansatz based on the particle preserving exchange gate to achieve qubit excitations. The proposed VQE ansatz has gate complexity up-bounded to O ( n 4 ) for all-to-all connectivity where n is the number of qubits of the Hamiltonian. Numerical results of simple molecular systems such as BeH 2 , H 2 O, N 2 , H 4 and H 6 using the proposed VQE ansatz gives very accurate results within errors about 10 -3 Hartree.

Physics↗
DOE OSTI2025

System Identification of a DC-DC Buck Converter Based on Two-Channel Relay Method

This work presents a system identification approach based on a two-channel relay applied to a DC-DC buck converter operating in closed-loop with a PI controller to regulate its output voltage. The implemented two-relay method allows system identification while the system is running online. Moreover, the algorithm works in a closed-loop configuration while introducing a minimal perturbation in the converter's operation. The presented algorithm was used to identify the frequency response of the converter with no-prior knowledge about the system structure. Furthermore, the identified transfer function parameters has a good agreement with the mathematical model of the converter. Simulation results of the comparison between the switching model, mathematical model and the identified model are provided to validate the theoretical analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Anomaly Detection in Partially Observed Traffic Networks

This paper addresses the problem of detecting anomalous activity in traffic networks where the network is not directly observed. Given knowledge of what the node-tonode traffic in a network should be, any activity that differs significantly from this baseline would be considered anomalous. We propose a Bayesian hierarchical model for estimating the traffic rates and detecting anomalous changes in the network. The probabilistic nature of the model allows us to perform statistical goodness-of-fit tests to detect significant deviations from a baseline network. We show that due to the more defined structure of the hierarchical Bayesian model, such tests perform well even when the empirical models estimated by the EM algorithm are misspecified. Finally, we apply our model to both simulated and real datasets to demonstrate its superior performance over existing alternatives.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

SU-E-I-97: Smart Auto-Planning Framework in An EMR Environment (SAFEE)

Purpose: Our Radiation Oncology Department uses clinical practice guidelines for patient treatment, including normal tissue sparing and other dosimetric constraints. These practice guidelines were adapted from national guidelines, clinical trials, literature reviews, and practitioner's own experience. Modern treatment planning systems (TPS) have the capability of incorporating these practice guidelines to automatically create radiation therapy treatment plans with little human intervention. We are developing a software infrastructure to integrate clinical practice guidelines and radiation oncology electronic medical record (EMR) system into radiation therapy treatment planning system (TPS) for auto planning. Methods: Our Smart Auto-Planning Framework in an EMR environment (SAFEE) uses a software pipeline framework to integrate practice guidelines,EMR, and TPS together. The SAFEE system starts with retrieving diagnosis information and physician's prescription from the EMR system. After approval of contouring, SAFEE will automatically create plans according to our guidelines. Based on clinical objectives, SAFEE will automatically select treatment delivery techniques (such as, 3DRT/IMRT/VMAT) and optimize plans. When necessary, SAFEE will create multiple treatment plans with different combinations of parameters. SAFEE's pipeline structure makes it very flexible to integrate various techniques, such as, Model-Base Segmentation (MBS) and plan optimization algorithms, e.g., Multi-Criteria Optimization (MCO). In addition, SAFEE uses machine learning, data mining techniques, and an integrated database to create clinical knowledgebase and then answer clinical questions, such as, how to score plan quality or how volume overlap affects physicians' decision in beam and treatment technique selection. Results: In our institution, we use Varian Aria EMR system and RayStation TPS from RaySearch, whose ScriptService API allows control by external programs. These applications are the building blocks of our SAFEE system. Conclusion: SAFEE is a feasible method of integrating clinical information to develop an auto-planning paradigm to improve clinical workflow in cancer patient care.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

WE-G-BRF-05: Feasibility of Markerless Motion Tracking Using Dual Energy Cone Beam Computed Tomography (DE-CBCT) Projections

Purpose: To compare markerless template-based tracking of lung tumors using dual energy (DE) cone-beam computed tomography (CBCT) projections versus single energy (SE) CBCT projections. Methods: A RANDO chest phantom with a simulated tumor in the upper right lung was used to investigate the effectiveness of tumor tracking using DE and SE CBCT projections. Planar kV projections from CBCT acquisitions were captured at 60 kVp (4 mAs) and 120 kVp (1 mAs) using the Varian TrueBeam and non-commercial iTools Capture software. Projections were taken at approximately every 0.53° while the gantry rotated. Due to limitations of the phantom, angles for which the shoulders blocked the tumor were excluded from tracking analysis. DE images were constructed using a weighted logarithmic subtraction that removed bony anatomy while preserving soft tissue structures. The tumors were tracked separately on DE and SE (120 kVp) images using a template-based tracking algorithm. The tracking results were compared to ground truth coordinates designated by a physician. Matches with a distance of greater than 3 mm from ground truth were designated as failing to track. Results: 363 frames were analyzed. The algorithm successfully tracked the tumor on 89.8% (326/363) of DE frames compared to 54.3% (197/363) of SE frames (p<0.0001). Average distance between tracking and ground truth coordinates was 1.27 +/− 0.67 mm for DE versus 1.83+/−0.74 mm for SE (p<0.0001). Conclusion: This study demonstrates the effectiveness of markerless template-based tracking using DE CBCT. DE imaging resulted in better detectability with more accurate localization on average versus SE. Supported by a grant from Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-G-BRA-01: A Real-Time Tumor Localization and Guidance Platform for Radiotherapy Using US and MRI

Purpose: To develop and validate a real-time motion management platform for radiotherapy that directly tracks tumor motion using ultrasound and MRI. This will be a cost-effective and non-invasive real-time platform combining the excellent temporal resolution of ultrasound with the excellent soft-tissue contrast of MRI. Methods: A 4D planar ultrasound acquisition during the treatment that is coupled to a pre-treatment calibration training image set consisting of a simultaneous 4D ultrasound and 4D MRI acquisition. The image sets will be rapidly matched using advanced image and signal processing algorithms, allowing the display of virtual MR images of the tumor/organ motion in real-time from an ultrasound acquisition. Results: The completion of this work will result in several innovations including: a (2D) patch-like, MR and LINAC compatible 4D planar ultrasound transducer that is electronically steerable for hands-free operation to provide real-time virtual MR and ultrasound imaging for motion management during radiation therapy; a multi- modal tumor localization strategy that uses ultrasound and MRI; and fast and accurate image processing algorithms that provide real-time information about the motion and location of tumor or related soft-tissue structures within the patient. Conclusion: If successful, the proposed approach will provide real-time guidance for radiation therapy without degrading image or treatment plan quality. The approach would be equally suitable for image-guided proton beam or heavy ion-beam therapy. This work is partially funded by NIH grant R01CA190298.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Summertime Marine Boundary Layer Cloud, Thermodynamic, and Drizzle Morphology over the Eastern North Atlantic: A Four-Year Study

Abstract Summertime remote sensor and in situ data from 2016 to 2019 collected at the ARM Eastern North Atlantic (ENA) Observatory are combined with aircraft measurements from the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) campaign to quantify marine boundary layer (MBL) cloud, thermodynamic, and drizzle morphology in the region. A radar reflectivity–rainfall rate relationship ( Z – R ) is developed from aircraft data and 6-h cloud morphological regimes are identified from ENA data using a k -means algorithm driven by three independent inputs quantifying cloud thickness, drizzle intensity, and cloud field geometric complexity. Four separate MBL structural regimes representing non- or weakly drizzling single-layer stratocumulus, drizzling stratocumulus and cumulus-coupled stratocumulus, deep convection, and broken clouds embedded in northerly flow are identified. Single-layer stratocumulus is indicated when weak subtropical anticyclones are significantly west of the ENA site, and the MBL is cooler and drier than when drizzling and cumulus-coupled stratocumulus and broken clouds are observed. Drizzling and cumulus-coupled stratocumulus clouds are observed on the eastern flank of strong subtropical anticyclones in deep warm moist air masses with wind speeds exceeding 7 m s −1 and strong near-surface wind shear. Broken clouds exhibit strong wind shear near the inversion, while single-layer stratocumulus clouds have lower wind speeds and minimal shear. Net latent heat fluxes in the subcloud layer resulting from a combination of the ocean surface heat flux and evaporating drizzle average near zero over long periods in drizzling and cumulus-coupled stratocumulus. The ECMWF reanalysis version 5 (ERA5) is found to accurately represent single-layer stratocumulus properties, while producing significant discrepancies when drizzling stratocumulus and cumulus-coupled stratocumulus are observed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Data Architecture for Security Monitoring (Project Summary)

The research has 2 thrusts: 1. new data architectures and tech-transfer-ready prototype tools that use write optimized data structures (WODS) to track real-world events, provide value to analysts, and support our cyber missions; and 2. algorithm research to address infinite streams of data, including expiration and sustainability.

97 MATHEMATICS AND COMPUTING↗