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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Application of Wireless Charging at Seaports for Range Extension of Drayage Battery Electric Trucks

Even though heavy-duty battery electric trucks (BETs) have become commercially available, their range limitation still hinders widespread adoption. Drayage has been regarded as a suitable application for early BETs due to typically having limited daily mileage. However, drayage operation can vary widely and some form of range extension may still be needed for BETs operating in this application. Here, in this paper, wireless charging at port terminals is proposed for this purpose. Potential wireless charging zones at port terminals are identified, and efficacy of wireless charging to extend BET range in drayage operation is verified by simulating the activity of 20 BETs from a drayage operator serving the ports of Los Angeles and Long Beach, using a microscopic BET energy consumption model. Furthermore, an optimization problem is formulated for optimal wireless charging zone planning from the port authority's perspective, considering subsets of the identified zones, and charging power options to choose from, for different budget ranges. In this context, zone planning means determining which areas of the port terminals should be selected for installing wireless charging systems, and what level of charging power should be for each selected zone's system. For each budget range, the optimization problem is solved using genetic algorithm to determine an optimal zone plan that provides the maximum amount of energy through wireless charging per unit cost of installation. The results show that wireless charging can aid improving activity completion of the simulated fleet by 5%, and further optimizing the zone plan can achieve similar performance with lower cost.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2015

Redesigning rain gauges network in Johor using geostatistics and simulated annealing

Recently, many rainfall network design techniques have been developed, discussed and compared by many researchers. Present day hydrological studies require higher levels of accuracy from collected data. In numerous basins, the rain gauge stations are located without clear scientific understanding. In this study, an attempt is made to redesign rain gauge network for Johor, Malaysia in order to meet the required level of accuracy preset by rainfall data users. The existing network of 84 rain gauges in Johor is optimized and redesigned into a new locations by using rainfall, humidity, solar radiation, temperature and wind speed data collected during the monsoon season (November - February) of 1975 until 2008. This study used the combination of geostatistics method (variance-reduction method) and simulated annealing as the algorithm of optimization during the redesigned proses. The result shows that the new rain gauge location provides minimum value of estimated variance. This shows that the combination of geostatistics method (variance-reduction method) and simulated annealing is successful in the development of the new optimum rain gauge system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

3D Histopathology—a Lung Tissue Segmentation Workflow for Microfocus X-ray-Computed Tomography Scans

Lung histopathology is currently based on the analysis of 2D sections of tissue samples. The use of microfocus X-ray-computed tomography imaging of unstained soft tissue can provide high-resolution 3D image datasets in the range of 2–10 μm without affecting the current diagnostic workflow. Important details of structural features such as the tubular networks of airways and blood vessels are contained in these datasets but are difficult and time-consuming to identify by manual image segmentation. Providing 3D structures permits a better understanding of tissue functions and structural interrelationships. It also provides a more complete picture of heterogeneous samples. In addition, 3D analysis of tissue structure provides the potential for an entirely new level of quantitative measurements of this structure that have previously been based only on extrapolation from 2D sections. In this paper, a workflow for segmenting such 3D images semi-automatically has been created using and extending the ImageJ open-source software and key steps of the workflow have been integrated into a new ImageJ plug-in called LungJ. Results indicate an improved workflow with a modular organization of steps facilitating the optimization for different sample and scan properties with expert input as required. This allows for incremental and independent optimization of algorithms leading to faster segmentation. Representation of the tubular networks in samples of human lung, building on those segmentations, has been demonstrated using this approach.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

TAMM: Tensor algebra for many-body methods

Tensor algebra operations such as contractions in computational chemistry consume a significant fraction of the computing time on large-scale computing platforms. The widespread use of tensor contractions between large multi-dimensional tensors in describing electronic structure theory has motivated the development of multiple tensor algebra frameworks targeting heterogeneous computing platforms. In this paper, we present Tensor Algebra for Many-body Methods (TAMM), a framework for productive and performance-portable development of scalable computational chemistry methods. TAMM decouples the specification of the computation from the execution of these operations on available high-performance computing systems. With this design choice, the scientific application developers (domain scientists) can focus on the algorithmic requirements using the tensor algebra interface provided by TAMM, whereas high-performance computing developers can direct their attention to various optimizations on the underlying constructs, such as efficient data distribution, optimized scheduling algorithms, and efficient use of intra-node resources (e.g., graphics processing units). The modular structure of TAMM allows it to support different hardware architectures and incorporate new algorithmic advances. We describe the TAMM framework and our approach to the sustainable development of scalable ground- and excited-state electronic structure methods. We present case studies highlighting the ease of use, including the performance and productivity gains compared to other frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Near minimum-time maneuvers of large space structures using parameter optimization

Near minimum-time attitude maneuvers for large, inherently-flexible space structures with finite fuel supplies are investigated. The open loop maneuver is determined with the Sequential Quadratic Programming (SQP) algorithm, which optimizes a bang-off-bang control parameter set for the given maneuver. Torque smoothing is used to prevent discontinuities in the control which would excite the flexible structure. Additional system dynamics such as thruster inefficiency, spring forces and pressure leaks are identified from preliminary experiments on the ASTREX test article.

Carter, M. T.↗
DOE OSTI2022

Learning Optimal Multigrid Smoothers via Neural Networks

Multigrid methods are one of the most efficient techniques for solving large sparse linear systems arising from partial differential equations (PDEs) and graph Laplacians from machine learning applications. One of the key components of multigrid is smoothing, which aims at reducing high-frequency errors on each grid level. However, finding optimal smoothing algorithms is problem-dependent and can impose challenges for many problems. In this paper, we propose an efficient adaptive framework for learning optimized smoothers from operator stencils in the form of convolutional neural networks (CNNs). Here, the CNNs are trained on small-scale problems from a given type of PDEs based on a supervised loss function derived from multigrid convergence theories and can be applied to large-scale problems of the same class of PDEs. Numerical results on anisotropic rotated Laplacian problems and variable coefficient diffusion problems demonstrate improved convergence rates and solution time compared with classical hand-crafted relaxation methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Harnessing Quantum Information Science for Enhancing Sensors in Harsh Fossil Energy Environments

The main goals of this project are to utilize real-time quantum dynamics simulations and quantum optimal control algorithms to (1) harness near-surface nitrogen vacancy (NV) centers to detect chemical analytes in harsh fossil energy environments, and (2) design optimally constructed electromagnetic fields for initializing these near-surface NV center spins for efficient sensor performance and detectivity.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1999

Energetic Neutral Atom Imaging at Low Altitudes from the Swedish Microsatellite Astrid: Extraction of the Equatorial Ion Distribution

Energetic neutral atom (ENA) images obtained by the ENA imager on- board the Astrid satellite in the polar cap at 1000 km during a moderate magnetic storm (Dst greater than or equal to 80 nT) on 8 February 1995 are simulated using a parameterized model of the equatorial ion distribution and a six-component Chamberlain exo-sphere with parameters from the MSISE-90 model. By changing the ion parameters until a matching ENA image is obtained one can extract the equatorial ion distribution. Four consecutive images from different view points several of minutes apart are simulated assuming H(+) and O(+), respectively, as parent ions. The optimal set of parameters is extracted by minimizing the chi(exp 2) difference between simulated and observed ENA image using Powell's minimization algorithm. The optimal equatorial model ion distribution consists of O(+) peaked in around dusk. The lower intensity of fluxes obtained from vantage points closer to the pole is an effect of the loss cone of the parent ion distribution being empty.

Brandt, Pontus C:son↗
NASA NTRSDate not supplied

Efficient Global Optimization with Gradient Finish for Design Under Uncertainty

The Efficient Global Optimization (EGO) algorithm is extended to include a gradient-descent-based finish upon reaching a threshold value of the expected improvement function. Emphasis is placed on efficient evaluation of local gradients using Kriging models during the gradient-based finish to enable application to design under uncertainty (DUU) problems. The modified algorithm is applied to both the well-known Rosenbrock function and a more challenging hypersonic inlet design under uncertainty problem. Results demonstrate improvement in locating the global optimum compared to the classical implementation of EGO, as well as a reduced number of true function evaluations compared to pure gradient-based algorithms. For the Rosenbrock function, a global optimum is returned using an average of 12% fewer function calls than a gradient-based optimizer with comparable tolerances. For the design under uncertainty problem, a global optimum is found using an average of 75% fewer function calls than a gradient-based optimizer. Global Pareto fronts of multiobjective DUU problems are obtained at little additional cost after a single optimization is complete.

Optimization↗
DOE OSTI2015

Quantum logic gates from time-dependent global magnetic field in a system with constant exchange

We propose a method that implements a universal set of one- and two-quantum-bit gates for quantum computation in a system of coupled electron pairs with constant non-diagonal exchange interaction. In our proposal, suppression of the exchange interaction is performed by the continual repetition of single-spin rotations. A small g-factor difference between the electrons allows for addressing qubits and avoiding strong magnetic field pulses. Numerical experiments were performed to show that, to implement the one- and two-qubit operations, it is sufficient to change the strength of the magnetic field by a few Gauss. This introduces one and then the other electron in a resonance. To determine the evolution of the two-qubit system, we use the algorithms of optimal control theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-F-19A-09: Propagation of Organ at Risk Contours for High Dose Rate Brachytherapy Planning for Cervical Cancer: A Deformable Image Registration Comparison

Purpose: To compare the performance of two deformable image registration (DIR) algorithms for contour propagation and to evaluate the accuracy of DIR for use with high dose rate (HDR) brachytherapy planning for cervical cancer. Methods: Five patients undergoing HDR ring and tandem brachytherapy were included in this retrospective study. All patients underwent CT simulation and replanning prior to each fraction (3–5 fractions total). CT-to-CT DIR was performed using two commercially available software platforms: SmartAdapt, Varian Medical Systems (Demons) and Velocity AI, Velocity Medical Solutions (B-spline). Fraction 1 contours were deformed and propagated to each subsequent image set and compared to contours manually drawn by an expert clinician. Dice similarity coefficients (DSC), defined as, DSC(A,B)=2(AandB)/(A+B) were calculated to quantify spatial overlap between manual (A) and deformed (B) contours. Additionally, clinician-assigned visual scores were used to describe and compare the performance of each DIR method and ultimately evaluate which was more clinically acceptable. Scoring was based on a 1–5 scale—with 1 meaning, “clinically acceptable with no contour changes” and 5 meaning, “clinically unacceptable”. Results: Statistically significant differences were not observed between the two DIR algorithms. The average DSC for the bladder, rectum and rectosigmoid were 0.82±0.08, 0.67±0.13 and 0.48±0.18, respectively. The poorest contour agreement was observed for the rectosigmoid due to limited soft tissue contrast and drastic anatomical changes, i.e., organ shape/filling. Two clinicians gave nearly equivalent average scores of 2.75±0.91 for SmartAdapt and 2.75±0.94 for Velocity AI—indicating that for a majority of the cases, more than one of the three contours evaluated required major modifications. Conclusion: Limitations of both DIR algorithms resulted in inaccuracies in contour propagation in the pelvic region, thus hampering the clinical utility of this technology. Further work is required to optimize these algorithms and take advantage of the potential of DIR for HDR brachytherapy planning.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-C-BRA-03: An Automated and Quick Contour Errordetection for Auto Segmentation in Online Adaptive Radiotherapy

Purpose: To develop a tool that can quickly and automatically assess contour quality generated from auto segmentation during online adaptive replanning. Methods: Due to the strict time requirement of online replanning and lack of ‘ground truth’ contours in daily images, our method starts with assessing image registration accuracy focusing on the surface of the organ in question. Several metrics tightly related to registration accuracy including Jacobian maps, contours shell deformation, and voxel-based root mean square (RMS) analysis were computed. To identify correct contours, additional metrics and an adaptive decision tree are introduced. To approve in principle, tests were performed with CT sets, planned and daily CTs acquired using a CT-on-rails during routine CT-guided RT delivery for 20 prostate cancer patients. The contours generated on daily CTs using an auto-segmentation tool (ADMIRE, Elekta, MIM) based on deformable image registration of the planning CT and daily CT were tested. Results: The deformed contours of 20 patients with total of 60 structures were manually checked as baselines. The incorrect rate of total contours is 49%. To evaluate the quality of local deformation, the Jacobian determinant (1.047±0.045) on contours has been analyzed. In an analysis of rectum contour shell deformed, the higher rate (0.41) of error contours detection was obtained compared to 0.32 with manual check. All automated detections took less than 5 seconds. Conclusion: The proposed method can effectively detect contour errors in micro and macro scope by evaluating multiple deformable registration metrics in a parallel computing process. Future work will focus on improving practicability and optimizing calculation algorithms and metric selection.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1985

Time optimal robotic manipulator motions and work places for point to point tasks

High productivity requires that manipulators perform complex tasks quickly. Recently, optimal control algorithms have been developed which enable manipulators to move quickly, but only for simple motions. A method is presented here which combines simple time optimal motions in an optimal manner to yield the minimum time motions for an important class of complex manipulator tasks composed of point to point moves, such as assembly, electronic component insertion and spot welding. This method can also be used to design manipulator actions and work places so that tasks can be completd in minimum time. The method has been implemented in a CAD software package. Examples are presented which show the methods effectiveness.

Dubowsky, S.↗
NASA NTRSDate not supplied

Supervisory On-line Optimal Control of an Electric Power Microgrid Design for Lunar Habitation

The following article describes an optimal control algorithm for the operation and study of an electric microgrid designed to power a lunar habitat. A photovoltaic (PV) generator powers the habitat and the presence of predictable lunar eclipses necessitates a system to prioritize and control loads within the microgrid. The algorithm consists of a reduced order model (ROM) that describes the microgrid, a discretization of the equations that result from the ROM, and an optimization formulation that controls the microgrid’s behavior. In order to validate this approach, the paper presents results from simulation based on lunar eclipse information and a schedule of intended loads.

Joseph Young↗
DOE OSTI2012

Exploring the All-to-All Collective Optimization Space with ConnectX CORE-Direct

The all-to-all collective communication operation is used by many scientific applications, and is one of the most time consuming and challenging collective operation to optimize. The algorithms for all-to-all operations typically fall into two classes, logarithmic and linear scaling algorithms, with Bruck's algorithm, a logarithmic scaling algorithm, used in many small-data all-to-all implementations. The recent addition of InfiniBand CORE-Direct support for network management of collective communications offers new opportunities for optimizing all-to-all operation as well as supporting truly asynchronous implementations of these operations. This paper presents several new enhancements to the Bruck small-data algorithm that leverage CORE-Direct and other InfiniBand network capabilities to produce efficient implementations of this collective operation. These include RDMA, SR-RNR, and SR-RTR algorithms. In addition, nonblocking implementations of these collective operations are also presented. Benchmark results show that the RDMA algorithm, which uses CORE-Direct capabilities to offload collective communication management to the Host Channel Adapter (HCA), hardware gather support for sending non-continuous data, and low-latency RDMA semantics, performs the best. For a 64 processes and 128 byte-per-process all-to-all, the RDMA algorithm performs 27% better than Bruck's algorithm implementation in Open MPI and 136% better than the SR-RTR algorithm. In addition, the nonblocking versions of these algorithms have the same performance characteristics as the blocking algorithms. Finally, measurements of computation/communication overlap capacity show that all offloaded algorithms achieve about 98% overlap for large data all-to-all, whereas implementations using host-based progress achieve only about 9.5% overlap.

Venkata, Manjunath Gorentla↗
DOE OSTI2019

A VSM-Based DER Dispatch MINLP for Volt-VAR Control in Unbalanced Power Distribution Systems

This paper presents an optimal dispatch algorithm to coordinate customer-owned controllable loads and smart solar inverters with utility-owned voltage regulators and capacitors to meet voltage control objectives. The optimization problem is formulated as a mixed-integer nonlinear programming (MINLP) problem. A voltage sensitivity matrix (VSM) is used to linearize the effect of control actions on the voltage at customer nodes when solving the MINLP. The VSM is recalculated at each time step to improve the computational accuracy. Both discrete switching actions of the capacitor and VRs and the continuous adjustment of real and reactive power from load and smart inverters are considered in the MINLP volt-var problem formulation. The objective function minimizes the cost of all control actions and the magnitude of voltage fluctuations from the previous time period. Constraints ensure that the voltage at each node is maintained within ANSI limits and the feeder power factor is controlled within the desired range. The algorithm is tested using an actual 3-phase unbalanced distribution feeder model. Simulation results demonstrate that the proposed algorithm is computationally feasible on real circuits and improves voltage control while minimizing operational costs.

McEntee, Catie↗
DOE OSTI2017

Optimizing Performance of Combustion Chemistry Solvers on Intel's Many Integrated Core (MIC) Architectures

This work investigates novel algorithm designs and optimization techniques for restructuring chemistry integrators in zero and multidimensional combustion solvers, which can then be effectively used on the emerging generation of Intel's Many Integrated Core/Xeon Phi processors. These processors offer increased computing performance via large number of lightweight cores at relatively lower clock speeds compared to traditional processors (e.g. Intel Sandybridge/Ivybridge) used in current supercomputers. This style of processor can be productively used for chemistry integrators that form a costly part of computational combustion codes, in spite of their relatively lower clock speeds. Performance commensurate with traditional processors is achieved here through the combination of careful memory layout, exposing multiple levels of fine grain parallelism and through extensive use of vendor supported libraries (Cilk Plus and Math Kernel Libraries). Important optimization techniques for efficient memory usage and vectorization have been identified and quantified. These optimizations resulted in a factor of ~ 3 speed-up using Intel 2013 compiler and ~ 1.5 using Intel 2017 compiler for large chemical mechanisms compared to the unoptimized version on the Intel Xeon Phi. The strategies, especially with respect to memory usage and vectorization, should also be beneficial for general purpose computational fluid dynamics codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Machine learning of molecular properties: Locality and active learning

In recent years, the machine learning techniques have shown great potent1ial in various problems from a multitude of disciplines, including materials design and drug discovery. The high computational speed on the one hand and the accuracy comparable to that of density functional theory on another hand make machine learning algorithms efficient for high-throughput screening through chemical and configurational space. However, the machine learning algorithms available in the literature require large training datasets to reach the chemical accuracy and also show large errors for the so-called outliers—the out-of-sample molecules, not well-represented in the training set. In the present paper, we propose a new machine learning algorithm for predicting molecular properties that addresses these two issues: it is based on a local model of interatomic interactions providing high accuracy when trained on relatively small training sets and an active learning algorithm of optimally choosing the training set that significantly reduces the errors for the outliers. We compare our model to the other state-of-the-art algorithms from the literature on the widely used benchmark tests.

Gubaev, Konstantin (ORCID:0000000326128515)↗