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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Robust Scheduling of Microgrids Considering Unintentional Islanding Conditions

This paper proposes a robust scheduling model for microgrids considering the stochastic unintentional islanding conditions. The proposed model minimizes the total operating cost of the microgrid by efficiently coordinating the supply of power from local distributed energy resources and the main grid. To capture the prevailing uncertainties in renewable generation and demand as well as unintentional islanding conditions, a two-stage adaptive robust optimization model is formulated to minimize the total operating cost under the worst realization of the modeled uncertainties. The column and constraint generation (C&CG) method is used to solve the problem in an iterative manner. The solution of the proposed scheduling model ensures robust microgrid operation in consideration of all possible realization of renewable generation, demand and unintentional islanding condition. Numerical simulations on a microgrid consisting of a wind turbine, a PV panel, a fuel cell, two micro-turbines, a diesel generator and a battery demonstrate the effectiveness of the proposed approach.

Liu, Guodong↗
DOE OSTI2014

Dimensionality Reduction Library v 0.2

Dimensionality Reduction Library is a C++ library for dimensionality reduction. In the context of this library, dimensionality reduction is considered to consist of 1)estimation of the intrinsic dimensionality using sampled data, 2) Finding maps that reduce the dimensionality of data (forward map) or increase the dimensionality of data (reverse map) and 3) mapping arbitray coordinates to high and low dimensionalities. The library is intended to provide a consistent interface to multiple dimensionality reduction algorithms with an efficient C++ interface that runs efficiently on multicore architectures. A few routines have been optimized with an option for GPU acceleration or distributed computation. Currently the library offers intrinsic dimensionality estimation using point-PCA reconstruction error and/ residual variance. The following dimensionality reduction methods have been implemented: Principal Component Analysis Multidimensional Scaling Locally Linear Embedding IsoMap Autoencoder Neutral Networks An executable is also supplied that can be built to allow for command-line access to the library routines. A description for an application of the library for molecular structure analysis has been published.

BROWN, WILLIAM↗
DOE OSTI2016

Use and engineering of efflux pumps for the export of olefins in microbes

The scope of the project is to investigate efflux pump systems in engineered host microorganisms, such as E. coli, and develop a pump engineered to export a target compound. To initiate the project in coordination with other TOTAL driven projects, the first target compound to be studied was 1-hexene. However, we were investigating other chemicals as Styrene. The main goal of the project was to generate a set of optimized efflux pump systems for microorganisms (E. coli and Streptomyces or other host) engineered to contain biosynthetic pathways to export large titers of target compounds that are toxic (or accumulate and push back biosynthesis) to the host cell. An optimized microbial host will utilize specific and efficient cell wall located pumps to extrude harmful target compounds and enable greater production of these compounds.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Power System Event Classification and Localization Using a Convolutional Neural Network

Detection and timely identification of power system disturbances are essential for situation awareness and reliable electricity grid operation. Because records of actual events in the system are limited, ensemble simulation-based events are needed to provide adequate data for building event-detection models through deep learning; e.g., a convolutional neural network (CNN). An ensemble numerical simulation-based training data set have been generated through dynamic simulations performed on the Polish system with various types of faults in different locations. Such data augmentation is proven to be able to provide adequate data for deep learning. The synchronous generators’ frequency signals are used and encoded into images for developing and evaluating CNN models for classification of fault types and locations. With a time-domain stacked image set as the benchmark, two different time-series encoding approaches, i.e., wavelet decomposition-based frequency-domain stacking and polar coordinate system-based Gramian Angular Field (GAF) stacking, are also adopted to evaluate and compare the CNN model performance and applicability. The various encoding approaches are suitable for different fault types and spatial zonation. With optimized settings of the developed CNN models, the classification and localization accuracies can go beyond 84 and 91%, respectively.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2021

I’ll have the Porter: Interactively Visualizing the Results of Statistical Maneuver Analysis

Mission design and navigation relies on statistical maneuver analysis and Monte Carlo simulations when evaluating candidate mission trajectories. Engineers must analyze large quantities of data to optimize mission safety and propellant margins, but currently rely on static text files and dense PDF slide decks to review simulation results. This approach is time-intensive, non-interactive, and difficult to share or coordinate with other mission designers. To improve this process, we present Porter: a web-based interactive mission analysis tool. This work describes Porter’s user-centered design process, its processing pipeline for importing and processing LAMBIC simulation data, core interactive features, and preliminary user feedback.

Ramaswamy, Basak Alper↗
DOE OSTI2019

Hierarchical Management of Distributed Energy Resources Using Chance-Constrained OPF and Extremum Seeking Control: Preprint

Distributed energy resources (DERs) are becoming an important part of distribution systems because of their economic and environmental benefits. Although their inherent intermittency and volatility introduce uncertainties into the system, they have potential to provide controllability to the system under proper coordination. In this paper, we propose a hierarchical control algorithm for distribution systems with DERs so that they have controllability similar to that of a generator bus. The upper level scheduler solves a chance-constrained optimal power flow (OPF) problem to plan the operation of the DERs based on forecasts, and the lower level distributed DER controllers leverage the extremum seeking approach to deliver the planned power at the feeder head. The proposed algorithm is tested on a modified IEEE 13-node feeder, demonstrating its effectiveness.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

CASL COBRA-TF improvements for PWR DNB analysis

COBRA-TF (CTF) is a thermal hydraulic (T/H) subchannel code using either three-dimensional (3D) Cartesian or subchannel coordinate formulations for two-phase fluid flow and heat transfer solutions. CTF has been improved under the Consortium for Advanced Simulation of Light Water Reactors (CASL) program for Pressurized Water Reactor (PWR) applications, including software optimization, new closure models, pre- and post-processing and parallelization for modeling full reactor core T/H responses under normal operating and accident conditions. As a result of collaboration among CASL partners including the Westinghouse Electric Company, the Oak Ridge National Laboratory (ORNL), and the Sandia National Laboratories, additional modeling improvements were made to CTF specifically for PWR Departure from Nucleate Boiling (DNB) analysis, including a code option to evaluate fuel thermal margin in terms of DNB Ratio (DNBR) and an axial shape factor to account for effect of non-uniform axial power distribution on DNB. Multiple DNB correlations are now linked with CTF for different applications, including the Westinghouse proprietary WRB-1 correlation for fuel designs containing mixing vane grid spacers. The improved CTF code with the WRB-1 correlation (CTF/WRB-1) was validated using the DNB data from the PWR Subchannel Bundle Tests (PSBT). In addition to the comparison with the test data, the CTF/WRB-1 DNBR results and the associated local fluid conditions were compared to the results of the Westinghouse T/H design code, VIPRE-W, which is an enhanced version of the VIPRE-01 code originally developed by the Electric Power Research Institute (EPRI). The comparisons showed that CTF/WRB-1 DNBR predictions are in good agreement with the VIPRE-W results within the applicable range of the DNB correlation. A model sensitivity study was performed to confirm that the CTF void drift model had an insignificant effect on DNBR under the steam line break (SLB) low pressure condition. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1992

Multi-disciplinary optimization of aeroservoelastic systems

The purpose of the research project was to continue the development of new methods for efficient aeroservoelastic analysis and optimization. The main targets were as follows: to complete the development of analytical tools for the investigation of flutter with large stiffness changes; to continue the work on efficient continuous gust response and sensitivity derivatives; and to advance the techniques of calculating dynamic loads with control and unsteady aerodynamic effects. An efficient and highly accurate mathematical model for time-domain analysis of flutter during which large structural changes occur was developed in cooperation with Carol D. Wieseman of NASA LaRC. The model was based on the second-year work 'Modal Coordinates for Aeroelastic Analysis with Large Local Structural Variations'. The work on continuous gust response was completed. An abstract of the paper 'Continuous Gust Response and Sensitivity Derivatives Using State-Space Models' was submitted for presentation in the 33rd Israel Annual Conference on Aviation and Astronautics, Feb. 1993. The abstract is given in Appendix A. The work extends the optimization model to deal with continuous gust objectives in a way that facilitates their inclusion in the efficient multi-disciplinary optimization scheme. Currently under development is a work designed to extend the analysis and optimization capabilities to loads and stress considerations. The work is on aircraft dynamic loads in response to impulsive and non-impulsive excitation. The work extends the formulations of the mode-displacement and summation-of-forces methods to include modes with significant local distortions, and load modes. An abstract of the paper,'Structural Dynamic Loads in Response to Impulsive Excitation' is given in appendix B. Another work performed this year under the Grant was 'Size-Reduction Techniques for the Determination of Efficient Aeroservoelastic Models' given in Appendix C.

Karpel, Mardechay↗
DOE OSTI2016

SU-F-P-28: A Method of Maximize the Noncoplanar Beam Orientations and Assure the Beam Delivery Clearance for Stereotactic Body Radiation Therapy (SBRT)

Purpose: Develop a method to maximize the noncoplanar beam orientations and assure the beam delivery clearance for SBRT, therefore, optimize the dose conformality to the target, increase the dose sparing to the critical normal organs and reduce the hot spots in the body. Methods: A SBRT body frame (Elekta, Stockholm, Sweden) was used for patient immobilization and target localization. The SBRT body frame has CT fiducials on its side frames. After patient’s CT scan, the radiation treatment isocenter was defined and its coordinators referring to the body frame was calculated in the radiation treatment planning process. Meanwhile, initial beam orientations were designed based on the patient target and critical organ anatomy. The body frame was put on the linear accelerator couch and positioned to the calculated isocenter. Initially designed beam orientations were manually measured by tuning the body frame position on the couch, the gantry and couch angles. The finalized beam orientations were put into the treatment planning for dosimetric calculations. Results: Without patient presence, an optimal set of beam orientations were designed and validated. The radiation treatment plan was optimized and guaranteed for delivery clearance. Conclusion: The developed method is beneficial and effective in SBRT treatment planning for individual patient. It first allows maximizing the achievable noncoplanar beam orientation space, therefore, optimize the treatment plan for specific patient. It eliminates the risk that a plan needs to be modified due to the gantry and couch collision during patient setup.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Bandwidth extension and conversion efficiency improvements beyond phase matching limitations using cavity-enhanced OPCPA

The conversion efficiency and phase matching bandwidth of ultrafast optical parametric amplification (OPA) are constrained by the dispersion and nonlinear coefficient of the employed crystal as well as pulse shaping effects. In our work we show that an enhancement cavity resonant with the pump seeded at the full repetition rate of the pump laser can automatically reshape the small-signal gain in optical parametric chirped-pulse amplification (OPCPA) to achieve close-to-optimal operation. This new method termed cavity-enhanced OPCPA or C-OPCPA significantly increases both the gain bandwidth and the conversion efficiency, in addition to boosting gain for high-repetition-rate amplification. The goal in C-OPCPA is to arrive at a condition of impedance matching at all temporal coordinates, such that, in the absence of linear losses, all the incident pump power is dissipated in the nonlinear loss element, i.e., converted to signal and idler. The use of a low finesse enhancement cavity resonant with a low average power (<1W) and a high repetition rate (78MHz) pump source is shown to achieve more than 50% conversion efficiency into signal and idler from the coupled pump in an optical parametric process, whereas an equivalent amount of pump power in a single-pass configuration leads to negligible conversion. Additionally, the gain bandwidth is extended by a factor of 3-4 beyond the phase-matching limit. Our empirical observations are corroborated by a numerical analysis of depletion optimizing the single-pass case, which assesses the underlying impedance matching that is responsible for the observed performance improvements.

47 OTHER INSTRUMENTATION↗
NASA NTRS1990

Staggered solution procedures for multibody dynamics simulation

The numerical solution procedure for multibody dynamics (MBD) systems is termed a staggered MBD solution procedure that solves the generalized coordinates in a separate module from that for the constraint force. This requires a reformulation of the constraint conditions so that the constraint forces can also be integrated in time. A major advantage of such a partitioned solution procedure is that additional analysis capabilities such as active controller and design optimization modules can be easily interfaced without embedding them into a monolithic program. After introducing the basic equations of motion for MBD system in the second section, Section 3 briefly reviews some constraint handling techniques and introduces the staggered stabilized technique for the solution of the constraint forces as independent variables. The numerical direct time integration of the equations of motion is described in Section 4. As accurate damping treatment is important for the dynamics of space structures, we have employed the central difference method and the mid-point form of the trapezoidal rule since they engender no numerical damping. This is in contrast to the current practice in dynamic simulations of ground vehicles by employing a set of backward difference formulas. First, the equations of motion are partitioned according to the translational and the rotational coordinates. This sets the stage for an efficient treatment of the rotational motions via the singularity-free Euler parameters. The resulting partitioned equations of motion are then integrated via a two-stage explicit stabilized algorithm for updating both the translational coordinates and angular velocities. Once the angular velocities are obtained, the angular orientations are updated via the mid-point implicit formula employing the Euler parameters. When the two algorithms, namely, the two-stage explicit algorithm for the generalized coordinates and the implicit staggered procedure for the constraint Lagrange multipliers, are brought together in a staggered manner, they constitute a staggered explicit-implicit procedure which is summarized in Section 5. Section 6 presents some example problems and discussions concerning several salient features of the staggered MBD solution procedure are offered in Section 7.

Park, K. C.↗
DOE OSTI2014

Redirection of the spherical expanding shock wave on the interface with plasma

We study a strong spherical expanding shock wave interacting with the finite-gradient interface between neutral cold gas and weakly ionized plasma. We want to see how the interaction with the interface can alter the shock structure compared to the case of its free propagation through the media with the exponentially varying density. From our comparative calculations based on the 2D model, we found substantial difference in the shock structure including strong deformation of the shock front followed with its gradual flattening and the redirection in its propagation. There are a number of factors that can be used to control this phenomenon in order to strengthen or lessen the effect. The calculations can be made on any scale, limited with the requirement for the shock wave to be strong. The study points at the possibility in certain applications to avoid the shock wave with its redirection rather than attenuation. The results can be applicable to optimization of the energy deposition into the supersonic flux, the drag reduction in hypersonic flight, in the detonation theory, and combustion through the control of the ignition conditions, and for environmental improvements through sonic boom reduction. Cartesian coordinates were used in order to visualize the phenomenon.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The role of rotation-vibration coupling in symmetric and asymmetric isotopomers of ozone

A theoretical framework and a computer code (SpectrumSDT) are developed for accurate calculations of coupled rotational–vibrational states in triatomic molecules using hyper-spherical coordinates and taking into account the Coriolis coupling effect. Concise final formulas are derived for the construction of the Hamiltonian matrix using an efficient combination of the variational basis representation and discrete variable representation methods with locally optimized basis sets and grids. First, the new code is tested by comparing its results with those of the APH3D program of Kendrick et al. [Kendrick, Pack, Walker, and Hayes, J. Chem. Phys. 110, 6673 (1999)]. Then, accurate calculations of the rovibrational spectra are carried out for doubly substituted symmetric ( 18 O 16 O 18 O) and asymmetric ( 18 O 18 O 16 O) ozone isotopomers for the total angular momentum up to J = 5. Together with similar data recently reported for the singly substituted symmetric ( 16 O 18 O 16 O) and asymmetric ( 16 O 16 O 18 O) ozone isotopomers, these calculations quantify the role of the Coriolis coupling effect in the large mass-independent isotopic enrichment of ozone, observed in both laboratory experiments and the atmosphere of the Earth. It is found that the Coriolis effect in ozone is relatively small, as evidenced by deviations of its rotational constants from the symmetric-top-rotor behavior, magnitudes of parity splittings (Λ-doubling), and ratios of rovibrational partition functions for asymmetric vs symmetric ozone molecules. It is concluded that all of these characteristics are influenced by the isotopic masses as much as they are influenced by the overall symmetry of the molecule. It is therefore unlikely that the Coriolis coupling effect could be responsible for symmetry-driven mass-independent fractionation of oxygen isotopes in ozone.

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

Crystal structure of pentasodium hydrogen dicitrate from synchrotron X-ray powder diffraction data and DFT comparison

The crystal structure of pentasodium hydrogen dicitrate, Na 5 H(C 6 H 5 O 7 ) 2 , has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Each of the two independent citrate anions is joined into a dimer by very strong centrosymmetric O—H...O hydrogen bonds, with O...O distances of 2.419 and 2.409 Å. Four octahedrally coordinated Na + ions share edges to form open layers parallel to the ab plane. A fifth Na + ion in trigonal–bipyramidal coordination shares faces with NaO 6 octahedra on both sides of these layers.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Scalable and Distributed Algorithm for Managing Residential Demand Response Programs using Alternating Direction Method of Multipliers (ADMM)

For effective engagement of residential demand-side resources and to ensure efficient operation of distribution networks, we must overcome the challenges of controlling and coordinating residential components and devices at scale. To overcome this challenge, we present a distributed and scalable algorithm with a three-level hierarchical information exchange architecture for managing the residential demand response programs. First, a centralized optimization model is formulated to maximize community social welfare. Then, this centralized model is solved in a distributed manner with alternating direction method of multipliers (ADMM) by decomposing the original problem to utility-level and house-level problems. The information exchange between the different layers is limited to the primary residual (i.e., supply-demand mismatch), Lagrangian multipliers, and the total load of each house to protect each customer’s privacy. Simulation studies are performed on the IEEE 33 bus test system with 605 residential customers. The results demonstrate that the proposed approach can save customers’ electricity bills and reduce the peak load at the utility level without much affecting customers’ comfort and privacy. Finally, a quantitative comparison of the distributed and centralized algorithms shows the scalability advantage of the proposed ADMM-based approach, and it gives benchmarking results with achievable value for future research works.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1973

A mesh gradient technique for numerical optimization

A class of successive-improvement optimization methods in which directions of descent are defined in the state space along each trial trajectory are considered. The given problem is first decomposed into two discrete levels by imposing mesh points. Level 1 consists of running optimal subarcs between each successive pair of mesh points. For normal systems, these optimal two-point boundary value problems can be solved by following a routine prescription if the mesh spacing is sufficiently close. A spacing criterion is given. Under appropriate conditions, the criterion value depends only on the coordinates of the mesh points, and its gradient with respect to those coordinates may be defined by interpreting the adjoint variables as partial derivatives of the criterion value function. In level 2, the gradient data is used to generate improvement steps or search directions in the state space which satisfy the boundary values and constraints of the given problem.

Willis, E. A., Jr.↗
DOE OSTI2019

Nonaqueous redox flow battery electrolyte comprising an ionic liquid with a metal cation coordinated to redox-active ligands

Nonaqueous redox flow batteries (RFB) hold the potential for high energy density grid scale storage, though are often limited by the solubility of the redox-active species in their electrolytes. A systematic approach enables an increase the concentration of redox-active species in electrolytes for nonaqueous RFB, starting from a metal-coordination-cation-based ionic liquid. As an example, starting with an ionic liquid consisting of a metal coordination cation (MetIL), ferrocene-containing ligands and iodide anions can be substituted into the original MetIL structure, enabling a nearly 4× increase in capacity compared to original MetIL structure. Application of this strategy to other chemistries, optimizing electrolyte melting point and conductivity could yield >10 M redox-active electrons.

Small, Leo J.↗
DOE OSTI2013

Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: Accelerating with advanced extrapolation of effective solvation forces

We develop efficient handling of solvation forces in the multiscale method of multiple time step molecular dynamics (MTS-MD) of a biomolecule steered by the solvation free energy (effective solvation forces) obtained from the 3D-RISM-KH molecular theory of solvation (three-dimensional reference interaction site model complemented with the Kovalenko-Hirata closure approximation). To reduce the computational expenses, we calculate the effective solvation forces acting on the biomolecule by using advanced solvation force extrapolation (ASFE) at inner time steps while converging the 3D-RISM-KH integral equations only at large outer time steps. The idea of ASFE consists in developing a discrete non-Eckart rotational transformation of atomic coordinates that minimizes the distances between the atomic positions of the biomolecule at different time moments. The effective solvation forces for the biomolecule in a current conformation at an inner time step are then extrapolated in the transformed subspace of those at outer time steps by using a modified least square fit approach applied to a relatively small number of the best force-coordinate pairs. The latter are selected from an extended set collecting the effective solvation forces obtained from 3D-RISM-KH at outer time steps over a broad time interval. The MTS-MD integration with effective solvation forces obtained by converging 3D-RISM-KH at outer time steps and applying ASFE at inner time steps is stabilized by employing the optimized isokinetic Nosé-Hoover chain (OIN) ensemble. Compared to the previous extrapolation schemes used in combination with the Langevin thermostat, the ASFE approach substantially improves the accuracy of evaluation of effective solvation forces and in combination with the OIN thermostat enables a dramatic increase of outer time steps. We demonstrate on a fully flexible model of alanine dipeptide in aqueous solution that the MTS-MD/OIN/ASFE/3D-RISM-KH multiscale method of molecular dynamics steered by effective solvation forces allows huge outer time steps up to tens of picoseconds without affecting the equilibrium and conformational properties, and thus provides a 100- to 500-fold effective speedup in comparison to conventional MD with explicit solvent. With the statistical-mechanical 3D-RISM-KH account for effective solvation forces, the method provides efficient sampling of biomolecular processes with slow and/or rare solvation events such as conformational transitions of hydrated alanine dipeptide with the mean life times ranging from 30 ps up to 10 ns for “flip-flop” conformations, and is particularly beneficial for biomolecular systems with exchange and localization of solvent and ions, ligand binding, and molecular recognition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗