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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Optimization of excitation transfer in a spin chain

A revised formulation of the problem of fastest transfer of the excitation in a spin chain is considered on the base of Shrödinger equation which Hamiltonian depends linearly on control. It is taken into account that the excitation of the first or last spin means that it has greatest amplitude equal to the chain invariant whereas its phase is undefined and can be considered as an additional control variable. The role of this additional control is analyzed via transformation of the original problem with unbounded linear control to the regular derived problem known from the theory of degenerate problems [1, 2], in the same way as in [2]. The overall procedure is demonstrated in computational experiments with the use of visual examples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Power Converter Circuit Design Automation using Parallel Monte Carlo Tree Search

The tidal waves of modern electronic/electrical devices have led to increasing demands for ubiquitous application-specific power converters. A conventional manual design procedure of such power converters is computation- and labor-intensive, which involves selecting and connecting component devices, tuning component-wise parameters and control schemes, and iteratively evaluating and optimizing the design. To automate and speed up this design process, we propose an automatic framework that designs custom power converters from design specifications using Monte Carlo Tree Search. Specifically, the framework embraces the upper-confidence-bound-tree (UCT), a variant of Monte Carlo Tree Search, to automate topology space exploration with circuit design specification-encoded reward signals. Moreover, our UCT-based approach can exploit small offline data via the specially designed default policy and can run in parallel to accelerate topology space exploration. Further, it utilizes a hybrid circuit evaluation strategy to substantially reduce design evaluation costs. Empirically, we demonstrated that our framework could generate energy-efficient circuit topologies for various target voltage conversion ratios. Compared to existing automatic topology optimization strategies, the proposed method is much more computationally efficient --- the sequential version can generate topologies with the same quality while being up to 67% faster. Here, the parallelization schemes can further achieve high speedups compared to the sequential version.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

The SCEC Unified Community Velocity Model Software Framework

Crustal seismic-velocity models and datasets play a key role in regional 3D numerical earthquake ground-motion simulation, full waveform tomography, and modern physics-based probabilistic earthquake-hazard analysis, as well as in other related fields, including geophysics and earthquake engineering. Most of these models and datasets, often collectively identified as Community Velocity Models (CVMs), synthesize information from multiple sources and are delivered to users in variable formats, including computer applications that allow for interactive querying of material properties, namely P- and S-wave velocities and density ρ. Computational users often require massive and repetitive access to velocity models and datasets, and such access is often unpractical and difficult due to a lack of standardized methods and procedures. To overcome these issues and to facilitate access by the community to these models, the Southern California Earthquake Center developed the Unified CVM (UCVM) software framework, an open-source collection of tools that enables users to access one or more seismic-velocity models, while providing a standard query interface. Here, we describe the research challenges that motivated the development of UCVM, its software design, development approach, and basic capabilities, as well as a few examples of seismic-modeling applications that use UCVM.

Geochemistry & Geophysics↗
DOE OSTI2023

Gaussian Process Modeling For Experimental Procedure Uncertainty

Many laboratory experiments generate data that are characterized by a form of uncertainty that differs from noise: experimental procedure uncertainty. The origin of this type of uncertainty is the difficulty in controlling a subset of experimental conditions in such a way that the experiment is perfectly reproducible within noise. In this report, we describe a Gaussian Process modeling-based method that accounts for experimental procedure uncertainty. The method accounts for variations in conditions from experiment to experiment that are independent between experiments, but correlated within each experiment, and incorporates the resulting uncertainty into predictions at future experimental settings. The method is discussed in the context of a specific chemistry application in which Raman scattering spectra are measured from three-component mixtures.

42 ENGINEERING↗
DOE OSTI2016

GPS Spoofing Attack Characterization and Detection in Smart Grids

The problem of global positioning system (GPS) spoofing attacks on smart grids endowed with phasor measurement units (PMUs) is addressed, taking into account the dynamical behavior of the states of the system. First, it is shown how GPS spoofing introduces a timing synchronization error in the phasor readings recorded by the PMUs and alters the measurement matrix of the dynamical model. Then, a generalized likelihood ratio-based hypotheses testing procedure is devised to detect changes in the measurement matrix when the system is subjected to a spoofing attack. Monte Carlo simulations are performed on the 9-bus, 3-machine test grid to demonstrate the implication of the spoofing attack on dynamic state estimation and to analyze the performance of the proposed hypotheses test.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

SU-F-BRA-12: End-User Oriented Tools and Procedures for Testing Brachytherapy TPSs Employing MBDCAs

Purpose: To develop user-oriented tools for commissioning and dosimetry testing of {sup 192}Ir brachytherapy treatment planning systems (TPSs) employing model based dose calculation algorithms (MBDCAs). Methods: A software tool (BrachyGuide) has been developed for the automatic generation of MCNP6 input files from any CT based plan exported in DICOM RT format from Elekta and Varian TPSs. BrachyGuide also facilitates the evaluation of imported Monte Carlo (MC) and TPS dose distributions in terms of % dose differences and gamma index (CT overlaid colormaps or relative frequency plots) as well as DVHs and related indices. For users not equipped to perform MC, a set of computational models was prepared in DICOM format, accompanied by treatment plans and corresponding MCNP6 generated reference data. BrachyGuide can then be used to compare institutional and reference data as per TG186. The model set includes a water sphere with the MBDCA WG {sup 192}Ir source placed centrically and in two eccentric positions, a water sphere with cubic bone and lung inhomogeneities and a five source dwells plan, and a patient equivalent model with an Accelerated Partial Breast Irradiation (APBI) plan. Results: The tools developed were used for the dosimetry testing of the Acuros and ACE MBDCAs implemented in BrachyVision v.13 and Oncentra Brachy v.4.5, respectively. Findings were consistent with previous results in the literature. Besides points close to the source dwells, Acuros was found to agree within type A uncertainties with the reference MC results. Differences greater than MC type A uncertainty were observed for ACE at distances >5cm from the source dwells and in bone. Conclusion: The tools developed are efficient for brachytherapy MBDCA planning commissioning and testing. Since they are appropriate for distribution over the web, they will be put at the AAPM WG MBDCA’s disposal. Research co-financed by the ESF and Greek funds. NSRF operational Program: Education and Lifelong Learning Investing in Knowledge Society-Aristeia. Varian Medical Systems and Nucletron, an Elekta company provided access to TPSs for research purposes. Miss Peppa was supported by IKY-fellowships of excellence for postgraduate studies in Greece,Siemens Program.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

An improved specimen preparation method for marine shallow gas-bearing sand sediments and its validations

Instabilities of shallow gas-charged seabed are potential geological hazards in ocean engineering. In practice, the conventional field sampling techniques failed to obtain undisturbed gas-bearing sediments from the seabed for laboratory mechanical testing because of sensitive gas exsolution and escape from sediments. However, preparation of representative remoulded gas-charged specimens is a challenging issue, because it is rather difficult to quantitatively control the gas content and obtain uniform distribution of gas bubbles within the specimen. Given the above problems, this work proposes a reliable approach to reconstitute the high-saturation specimen of gas-charged sediments in the laboratory by an improved multifunction integrated triaxial apparatus (MITA). This apparatus is developed based on an advanced stress path triaxial system by introducing a temperature-controlled system and a wave-monitoring system. The temperature-controlled system is used to accurately mimic the in situ environments of sediments in the seabed. The wave-monitoring system is utilized to identify exsolution point of free gas and examine the disturbance of gas to specimens during gas exsolution. The detailed procedure of gassy specimen preparation is introduced. Then, the quality of prepared specimens using our improved apparatus is validated by the high-resolution micro-X-ray computed tomography (μCT) scanning test, from which bubble occurrence and size distribution within the gassy sand specimen can be obtained; and preliminary mechanical tests on gassy sand specimens with various initial saturation degrees are performed. The proposed specimen preparation procedure succeeds in proving the postulated occurrence state of gas bubbles in coarse-grained sediments and accurately controlling the gas content.

58 GEOSCIENCES↗
DOE OSTI2014

Adaptive OFDM Radar Waveform Design for Improved Micro-Doppler Estimation

Here we analyze the performance of a wideband orthogonal frequency division multiplexing (OFDM) signal in estimating the micro-Doppler frequency of a rotating target having multiple scattering centers. The use of a frequency-diverse OFDM signal enables us to independently analyze the micro-Doppler characteristics with respect to a set of orthogonal subcarrier frequencies. We characterize the accuracy of micro-Doppler frequency estimation by computing the Cramer-Rao bound (CRB) on the angular-velocity estimate of the target. Additionally, to improve the accuracy of the estimation procedure, we formulate and solve an optimization problem by minimizing the CRB on the angular-velocity estimate with respect to the OFDM spectral coefficients. We present several numerical examples to demonstrate the CRB variations with respect to the signal-to-noise ratios, number of temporal samples, and number of OFDM subcarriers. We also analysed numerically the improvement in estimation accuracy due to the adaptive waveform design. A grid-based maximum likelihood estimation technique is applied to evaluate the corresponding mean-squared error performance.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

WE-D-9A-01: A Novel Mesh-Based Deformable Surface-Contour Registration

Purpose: Initial guess is vital for 3D-2D deformable image registration (DIR) while dealing with large deformations for adaptive radiation therapy. A fast procedure has been developed to deform body surface to match 2D body contour on projections. This surface-contour DIR will provide an initial deformation for further complete 3D DIR or image reconstruction. Methods: Both planning CT images and come-beam CT (CBCT) projections are preprocessed to create 0–1 binary mask. Then the body surface and CBCT projection body contours are extracted by Canny edge detector. A finite element modeling system was developed to automatically generate adaptive meshes based on the image surface. After that, the projections of the CT surface voxels are computed and compared with corresponding 2D projection contours from CBCT scans. As a result, the displacement vector field (DVF) on mesh vertices around the surface was optimized iteratively until the shortest Euclidean distance between the pixels on the projections of the deformed CT surface and the corresponding CBCT projection contour is minimized. With the help of the tetrahedral meshes, we can smoothly diffuse the deformation from the surface into the interior of the volume. Finally, the deformed CT images are obtained by the optimal DVF applied on the original planning CT images. Results: The accuracy of the surface-contour registration is evaluated by 3D normalized cross correlation increased from 0.9176 to 0.9957 (sphere-ellipsoid phantom) and from 0.7627 to 0.7919 (H and N cancer patient data). Under the GPU-based implementation, our surface-contour-guided method on H and N cancer patient data takes 8 seconds/iteration, about 7.5 times faster than direct 3D method (60 seconds/iteration), and it needs fewer optimization iterations (30 iterations vs 50 iterations). Conclusion: The proposed surface-contour DIR method can substantially improve both the accuracy and the speed of reconstructing volumetric images, which is helpful for applying in adaptive radiotherapy. This research is supported by CPRIT individual investigator award RP110329.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Robust and efficient overset grid assembly for partitioned unstructured meshes

This paper presents a method to perform efficient and automated Overset Grid Assembly (OGA) on a system of overlapping unstructured meshes in a parallel computing environment where all meshes are partitioned into multiple mesh-blocks and processed on multiple cores. The main task of the overset grid assembler is to identify, in parallel, among all points in the overlapping mesh system, at which points the flow solution should be computed (field points), interpolated (receptor points), or ignored (hole points). Point containment search or donor search, an algorithm to efficiently determine the cell that contains a given point, is the core procedure necessary for accomplishing this task. Donor search is particularly challenging for partitioned unstructured meshes because of the complex irregular boundaries that are often created during partitioning. Another challenge arises because of the large variation in the type of mesh-block overlap and the resulting large load imbalance on multiple processors. Desirable traits for the grid assembly method are efficiency (requiring only a small fraction of the solver time), robustness (correct identification of all point types), and full automation (no user input required other than the mesh system). Additionally, the method should be scalable, which is an important challenge due to the inherent load imbalance. This paper describes a fully-automated grid assembly method, which can use two different donor search algorithms. One is based on the use of auxiliary grids and Exact Inverse Maps (EIM), and the other is based on the use of Alternating Digital Trees (ADT). The EIM method is demonstrated to be more efficient than the ADT method, while retaining robustness. An adaptive load re-balance algorithm is also designed and implemented, which considerably improves the scalability of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Approximate inference for constructing astronomical catalogs from images

Here, we present a new, fully generative model for constructing astronomical catalogs from optical telescope image sets. Each pixel intensity is treated as a random variable with parameters that depend on the latent properties of stars and galaxies. These latent properties are themselves modeled as random. We compare two procedures for posterior inference. One procedure is based on Markov chain Monte Carlo (MCMC) while the other is based on variational inference (VI). The MCMC procedure excels at quantifying uncertainty, while the VI procedure is 1000 times faster. On a supercomputer, the VI procedure efficiently uses 665,000 CPU cores to construct an astronomical catalog from 50 terabytes of images in 14.6 minutes, demonstrating the scaling characteristics necessary to construct catalogs for upcoming astronomical surveys.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Multiscale characterization of an additively manufactured property graded Ni-base alloy for molten-salts\supercritical-CO 2 heat exchangers

The sequential optimization of strength and corrosion resistance in conventional alloy design procedures often results in a tradeoff between environmental degradation and optimal mechanical properties. A concurrent optimization of these two material properties is essential to efficiently develop high temperature alloys that can withstand harsh environments increasingly required for carbon–neutral energy technologies. In this work, we demonstrate the feasibility of directed energy deposition (DED) to manufacture a dual-corrosion resistant Ni-based alloy (Hastelloy N and Haynes 282), that meets the high temperature operation requirements of a molten-salts\supercritical-CO 2 (sCO 2 ) heat exchanger. A combination of multiscale characterization techniques and computational thermodynamics was employed to evaluate the cracking susceptibilities during fabrication and predict the microstructural stability of the material. Very good agreement was achieved between the observed and predicted phases and phase fractions of the as-printed material. A careful characterization of the transition zone between the two terminal alloy chemistries revealed potential precipitation strengthening (γ') on the Hastelloy N side while columnar-shaped M 23 C 6 and γ' precipitates that formed at grain boundaries (GBs) of the transition zone likely minimized the local interfacial energies. Both these mechanisms are believed to increase the interfacial stability but their performance at high temperatures requires further investigation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Updimensioning strategy derived from synthetic equiaxed grain structures for approximating 3D grain size distributions from 2D visualizations with 1D parameters

We generated synthetic equiaxed grain structures using computer graphics software to explore the relationship between various grain size determination methods and true three-dimensional (3D) grain diameters. Mirroring grain measurement techniques, the synthetic 3D grain structures are imaged as 2D micrographs which are measured to yield 1D grain size parameters. Synthetic grain structures provide data at a mass scale and permit exploration of both polished and fractured surface micrographs, revealing one-to-one correspondence between exposed 2D grain cross-sections and individual 3D grains. Analysis of this correspondence yielded a procedure to approximate 3D equiaxed grain size and volume distributions based on the mode of the 2D fractograph grain size distribution. The 3D approximation procedure is shown to be less susceptible to different imaging conditions that affect small, undiscernible grains compared to the standard planimetric and linear intercept methods, which by design also tend to underestimate the 3D grain diameter. The procedure requires larger sample sizes to lower variance and a deeper analysis which could become more practical with machine learning (ML) models for grain boundary segmentation, which synthetic grain structures can help train. This work lays the foundation for analyzing other grain distributions such as columnar and composite grains in similar depth.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Three-dimensional plastic response in polycrystalline copper via near-field high-energy X-ray diffraction microscopy

The evolution of the crystallographic orientation field in a polycrystalline sample of copper is mapped in three dimensions as tensile strain is applied. Here, using forward-modeling analysis of high-energy X-ray diffraction microscopy data collected at the Advanced Photon Source, the ability to track intragranular orientation variations is demonstrated on an ~2 µm length scale with ~0.1° orientation precision. Lattice rotations within grains are tracked between states with ~1° precision. Detailed analysis is presented for a sample cross section before and after ~6% strain. The voxel-based (0.625 µm triangular mesh) reconstructed structure is used to calculate kernel-averaged misorientation maps, which exhibit complex patterns. Simulated scattering from the reconstructed orientation field is shown to reproduce complex scattering patterns generated by the defected microstructure. Spatial variation of a goodness-of-fit or confidence metric associated with the optimized orientation field indicates regions of relatively high or low orientational disorder. An alignment procedure is used to match sample cross sections in the different strain states. The data and analysis methods point toward the ability to perform detailed comparisons between polycrystal plasticity computational model predictions and experimental observations of macroscopic volumes of material.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Inference of reaction rate parameters based on summary statistics from experiments

Here, we present the results of an application of Bayesian inference and maximum entropy methods for the estimation of the joint probability density for the Arrhenius rate para meters of the rate coefficient of the H 2 /O 2 -mechanism chain branching reaction H + O 2 → OH + O. Available published data is in the form of summary statistics in terms of nominal values and error bars of the rate coefficient of this reaction at a number of temperature values obtained from shock-tube experiments. Our approach relies on generating data, in this case OH concentration profiles, consistent with the given summary statistics, using Approximate Bayesian Computation methods and a Markov Chain Monte Carlo procedure. The approach permits the forward propagation of parametric uncertainty through the computational model in a manner that is consistent with the published statistics. A consensus joint posterior on the parameters is obtained by pooling the posterior parameter densities given each consistent data set. To expedite this process, we construct efficient surrogates for the OH concentration using a combination of Pad'e and polynomial approximants. These surrogate models adequately represent forward model observables and their dependence on input parameters and are computationally efficient to allow their use in the Bayesian inference procedure. We also utilize Gauss-Hermite quadrature with Gaussian proposal probability density functions for moment computation resulting in orders of magnitude speedup in data likelihood evaluation. Despite the strong non-linearity in the model, the consistent data sets all res ult in nearly Gaussian conditional parameter probability density functions. The technique also accounts for nuisance parameters in the form of Arrhenius parameters of other rate coefficients with prescribed uncertainty. The resulting pooled parameter probability density function is propagated through stoichiometric hydrogen-air auto-ignition computations to illustrate the need to account for correlation among the Arrhenius rate parameters of one reaction and across rate parameters of different reactions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Patterns of Recurrence After Low-Dose-Rate Prostate Brachytherapy: A Population-Based Study of 2223 Consecutive Low- and Intermediate-Risk Patients

Objectives: This study examined patterns of recurrence after low–dose-rate prostate brachytherapy (LDR-PB), estimated local recurrence rate and compared that rate to the estimated local recurrence rate after radical prostatectomy (RP). Methods and Materials: A prospective database was maintained with clinical, dosimetric, and outcome data for all LDR-PB implantation procedures performed at our institution. From 1998 to 2008, 2223 patients with prostate cancer received LDR-PB without supplemental external beam radiation therapy. Patients who developed Phoenix-defined biochemical failure were reviewed for sites of relapse and investigations completed. Results: At a median follow-up of 5 years, 108 of 2223 patients (4.8%) developed biochemical relapse. In 1 additional patient, local relapse was found on transurethral prostate resection, but his prostate-specific antigen concentration was well short of triggering Phoenix-defined failure. Of the 109 patients with disease relapse, 18 of 2223 (0.8%) had a proven local recurrence, and 30 of 2223 (1.3%) had a proven distant recurrence. The remaining 61 of 2223 patients (2.7%) had unidentified sites of recurrence; of these, 57 patients (93%) had digital rectal examinations (DREs), 18 (30%) had post-treatment biopsies, 45 (74%) had bone scans, and 34 (56%) had computed tomography imaging of the abdomen and pelvis. If every biochemical failure were local, the local recurrence rate would be as high as 4.9%; however, by excluding those with proven distant failure and those with both a negative DRE and biopsy, we estimate that the local recurrence rate is 2.7% or less. Conclusions: In the context of limitations of the study design, our population-based analysis indicates that the local recurrence rate after LDR-PB is as low or lower than that after RP in our jurisdiction.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Characterizing the nano-structure and defect structure of nano-scaled non-ferrous structural alloys

The presence and interaction of nanotwins, geometrically necessary dislocations, and grain boundaries play a key role in the mechanical properties of nanostructured crystalline materials. Therefore, it is vital to determine the orientation, width and distance of nanotwins, the angle and axis of grain boundary misorientations as well as the type and the distributions of dislocations in an automatic and statistically meaningful fashion in a relatively large area. In this paper, such details are provided using a transmission electron microscope-based orientation microscopy technique called ASTAR™/precession electron diffraction. The remarkable spatial resolution of this technique (~ 2 nm) enables highly detailed characterization of nanotwins, grain boundaries and the configuration of dislocations. This orientation microscopy technique provides the raw data required for the determination of these parameters. The procedures to post-process the ASTAR™/PED datasets in order to obtain the important (and currently largely hidden) details of nanotwins as well as quantifications of dislocation density distributions are described in this study. - Highlights: • EBSD cannot characterize defects such as dislocations, grain boundaries and nanotwins in severely deformed metals. • TEM based orientation microscopy technique called ASTAR™/PED was used to resolve the problem. • Locations and orientations of nanotwins, dislocation density distribution and grain boundary characters can be resolved. • This work provides the bases for further studies on the interactions between dislocations, grain boundaries and nanotwins. • The computation part is explained sufficiently which helps the readers to post process their own data.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Rapid alignment of nanotomography data using joint iterative reconstruction and reprojection

As x-ray and electron tomography is pushed farther into the nanoscale, the limitations of rotation stages become more apparent leading to challenges in the alignment of the acquired projection images. Here we present an approach for rapid post-acquisition alignment of these projections to obtain high quality 3D images. Our approach is based on a joint estimation of alignment errors, and the object, using an iterative refinement procedure. We characterize convergence in simulations, and show its application in x-ray and electron nanotomography.

47 OTHER INSTRUMENTATION↗