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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Quandary

Quandary numerically simulates and optimizes the time-evolution of open quantum systems. The underlying dynamics are modelled by Lindblad's master equation, a linear ordinary differential equation (ODE) describing quantum systems interacting with the environment. Quandary solves this ODE numerically by applying a time-stepping integration scheme, and utilizes a gradient-based optimization approach to determine optimal control pulses that drive the quantum system to a desired target state. Two optimization objectives are considered: (a) Unitary gate optimization that finds controls to realize a unitary gate transformation, and (b) optimal reset that aims to drive the quantum system to the ground states. Gradient-based optimization schemes utilizing Petsc's Tao optimization package are applied to generate control pulses that minimize the respective measure. To evaluate the gradient of the objective function, the discrete adjoint method is used while leveraging techniques from Algorithmic Differentiation to produce exact and consistent gradients. To mitigate excessive execution run times, the software can be build together with the XBraid software library which provides a parallelization strategy to distribute the time-evolution of the underlying dynamics onto multiple processor.

Petersson, NilsA.↗
DOE OSTI2023

Integration of Ultrawide Bandgap Photoconducting Semiconductor Switches into High-Voltage, High-Current Pulser Systems

In this feasibility study we will evaluate the viability of integrating ultrawide bandgap (UWBG) photoconducting semiconductor switches (PCSS) in high-voltage pulser systems capable of driving low-impedance dynamic loads critical for next-generation accelerator and RF-source applications. The project consisted of developing modelling tools that would inform design of UWBG PCSS packages that could be mounted onto conventional circuit boards. Specifically, we are interested in evaluating the following through simulation software: (1) resistance to electrical breakdown (2) proximity effects due to high-frequency skin effect (3) transient behavior from switching (4) effective transmission of RF signals (5) thermal dynamics of the switch under operation (6) sensitivity to inhomogeneities in optical excitation of the material (7) cross-talk effects from parallel switching structures, and (8) susceptibility of system to damaged components. The project resulted in the development of a special-purpose circuit code that implements photoconductivity physics. This code was used to evaluate objectives 1-6 above, identifying a critical requirement associated with the need for fine control of dopant concentrations in the UWBG material to reach an optimal solution for voltage standoff and laser light responsivity requirements. In addition, we identified that the temperature dependence of the electrical conductivity of this material was typically not well-measured and developed a platform for measuring both the “dark” and “illuminated” conductivity on real physical switches in the lab to better inform our models.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1974

Management of analytical redundancy in digital flight control systems for aircraft

This paper presents a design method for optimal redundancy management for nonlinear systems with application to highly maneuvering aircraft. The approach taken is based on selecting the failure states to be covered by the system design and constructing a cost function that represents the cost of making an incorrect decision. The decision logic which minimizes the cost requires a bank of extended Kalman filters running in parallel. This produces a severe computational requirement. To reduce this requirement, a suboptimal logic is developed based on using a nonlinear single-stage prediction algorithm in the filters with filter gains and decision logic selected using steady-state results obtained from a linearization of the vehicle and sensor dynamics. The design process is then applied to designing a redundancy management system for the F8-C aircraft. Results indicate that the system is superior in failure detection to a system using the same structure but using a linear single-stage prediction algorithm in the filters.

Montgomery, R. C.↗
NASA NTRS1992

Membrane triangles with corner drilling freedoms. II - The ANDES element

This is the second article in a three-part series on the construction of 3-node, 9-dof membrane elements with normal-to-its-plane rotational freedoms (the so-called drilling freedoms) using parametrized variational principles. In this part, one such element is derived within the context of the assumed natural deviatoric strain (ANDES) formulation. The higher-order strains are obtained by constructing three parallel-to-sides pure-bending modes from which natural strains are obtained at the corner points and interpolated over the element. To attain rank sufficiency, an additional higher-order 'torsional' mode, corresponding to equal hierarchical rotations at each corner with all other motions precluded, is incorporated. The resulting formulation has five free parameters. When these parameters are optimized against pure bending by energy balance methods, the resulting element is found to coalesce with the optimal EFF element derived in Part I. Numerical integration as a strain filtering device is found to play a key role in this achievement.

Felippa, Carlos A.↗
NASA NTRS1993

Visual information processing II; Proceedings of the Meeting, Orlando, FL, Apr. 14-16, 1993

Various papers on visual information processing are presented. Individual topics addressed include: aliasing as noise, satellite image processing using a hammering neural network, edge-detetion method using visual perception, adaptive vector median filters, design of a reading test for low-vision image warping, spatial transformation architectures, automatic image-enhancement method, redundancy reduction in image coding, lossless gray-scale image compression by predictive GDF, information efficiency in visual communication, optimizing JPEG quantization matrices for different applications, use of forward error correction to maintain image fidelity, effect of peanoscanning on image compression. Also discussed are: computer vision for autonomous robotics in space, optical processor for zero-crossing edge detection, fractal-based image edge detection, simulation of the neon spreading effect by bandpass filtering, wavelet transform (WT) on parallel SIMD architectures, nonseparable 2D wavelet image representation, adaptive image halftoning based on WT, wavelet analysis of global warming, use of the WT for signal detection, perfect reconstruction two-channel rational filter banks, N-wavelet coding for pattern classification, simulation of image of natural objects, number-theoretic coding for iconic systems.

Huck, Friedrich O.↗
NASA NTRS2013

An All-Solid-State, Room-Temperature, Heterodyne Receiver for Atmospheric Spectroscopy at 1.2 THz

Heterodyne receivers at submillimeter wavelengths have played a major role in astrophysics as well as Earth and planetary remote sensing. All-solid-state heterodyne receivers using both MMIC (monolithic microwave integrated circuit) Schottky-diode-based LO (local oscillator) sources and mixers are uniquely suited for long-term planetary missions or Earth climate monitoring missions as they can operate for decades without the need for any active cryogenic cooling. However, the main concern in using Schottky-diode-based mixers at frequencies beyond 1 THz has been the lack of enough LO power to drive the devices because 1 to 3 mW are required to properly pump Schottky diode mixers. Recent progress in HEMT- (high-electron-mobility- transistor) based power amplifier technology, with output power levels in excess of 1 W recently demonstrated at W-band, as well as advances in MMIC Schottky diode circuit technology, have led to measured output powers up to 1.4 mW at 0.9 THz. Here the first room-temperature tunable, all-planar, Schottky-diode-based receiver is reported that is operating at 1.2 THz over a wide (≈20%) bandwidth. The receiver front-end (see figure) consists of a Schottky-diode-based 540 to 640 GHz multiplied LO chain (featuring a cascade of W-band power amplifiers providing around 120 to 180 mW at W-band), a 200-GHz MMIC frequency doubler, and a 600-GHz MMIC frequency tripler, plus a biasable 1.2-THz MMIC sub-harmonic Schottky-diode mixer. The LO chain has been designed, fabricated, and tested at JPL and provides around 1 to 1.5 mW at 540 o 640 GHz. The sub-harmonic mixer consists of two Schottky diodes on a thin GaAs membrane in an anti-parallel configuration. An integrated metal insulator metal (MIM) capacitor has been included on-chip to allow dc bias for the Schottky diodes. A bias voltage of around 0.5 V/diode is necessary to reduce the LO power required down to the 1 to 1.5 mW available from the LO chain. The epilayer thickness and doping profiles have been specifically optimized to maximize the mixer performance beyond 1 THz. The measured DSB noise temperatures and conversion losses of the receiver are 2,000 to 3,500 K and 12 to 14 dB, respectively, at 120 K, and 4,000 to 6,000 K and 13 to 15 dB, respectively, at 300 K. These results establish the state-of-the-art for all-solid-state, all-planar heterodyne receivers at 1.2 THz operating at either room temperature or using passive cooling only. Since no cryogenic cooling is needed, the receiver is eminently suited to atmospheric heterodyne spectroscopy of the outer planets and their moons.

Siles, Jose V.↗
NASA NTRSDate not supplied

OceanWATERS Lander Robotic Arm Operation

Ocean Worlds Autonomy Testbed for Exploration Research and Simulation (OceanWATERS) is an open-source simulator for developing onboard autonomy software for robotic exploration of ocean worlds, such as Europa, Enceladus, and Titan, built on the Robot Operating System (ROS) and Gazebo simulation environment. Inevitable ground communication delays increase demand for a high degree of autonomy during excavation, collection and transfer of samples to scientific instruments for in-situ analysis. This paper offers a detailed discussion of the robotic arm design and operation for such autonomous surface exploration, taking as reference the Europa Lander mission. The lander arm, which is designed primarily to acquire icy surface and subsurface samples within the arm’s workspace, is a 6-degree-of-freedom manipulator with two end effectors: a sample excavation tool and a trenching end-effector. The robotic arm’s modes and operations can be summarized as follows: stowed arm, intended as the lander arm default configuration characterized by zero-power consumption; un-stowed arm, target arm configuration after its first deployment; selection and deployment of the end-effector to use next; guarded move, to detect ground level at the desired trenching location; drill ice using the grinder; dig trench at a particular location using the scoop; deliver sample to the sample transfer dock; discard redundant samples. The motion planning tool used for the lander arm is MoveIt, a ROS package. MoveIt uses sampling-based planning and collision checking libraries to determine safe paths. The Rapidly Exploring Random Trees* (RRT*) has been chosen as default planning algorithm as it provides optimal plans with an exponential speed and is guaranteed to find a solution, if feasible solutions exist. Furthermore, this work quantifies and discusses the energy requirements for excavating and collecting samples. In OceanWATERS, force feedback from the terrain, which influences the arm dynamics, is modelled using a discrete element method (DEM) simulation. The DEM and Gazebo software run in parallel and communicate through a co-simulation plugin. This paper presents an analysis and comparison of three DEM open source software (YADE, ESyS-Particle, Project Chrono) for implementation in OceanWATERS and motivates the choice of YADE as most suitable candidate.

Damiana Catanoso↗
DOE OSTI2022

Crystal structure of nequinate, C 22 H 23 NO 4

The crystal structure of nequinate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Nequinate crystallizes in the space group P2 1 /c (#14) with a = 18.35662(20), b = 11.68784(6), c = 9.06122(4) Å, β = 99.3314(5)°, V = 1918.352(13) Å 3 , and Z = 4. The crystal structure is dominated by the stacking of the approximately planar molecules. N–H∙∙∙O hydrogen bonds link adjacent molecules into chains parallel to the b-axis. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Crystal structure of butenafine hydrochloride, C 23 H 28 NCl

The crystal structure of butenafine hydrochloride has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Butenafine hydrochloride crystallizes in space group P2 1 (#4) with a = 13.94807(5), b = 9.10722(2), c = 16.46676(6) Å, β = 93.9663(5)°, V = 2086.733(8) Å 3 , and Z = 4. Butenafine hydrochloride occurs as a racemic co-crystal of R and S enantiomers of the cation. The crystal structure is characterized by parallel stacks of aromatic rings along the b-axis. Each cation forms a strong discrete N–H∙∙∙Cl hydrogen bond. The chloride anions also act as acceptors in several C–H∙∙∙Cl hydrogen bonds from methylene, methyl, and aromatic groups. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Sparse Distributed Gigascale Resolution Material Point Method

In this paper, we present a four-layer distributed simulation system and its adaptation to the Material Point Method (MPM). The system is built upon a performance portable C++ programming model targeting major High-Performance-Computing (HPC) platforms. A key ingredient of our system is a hierarchical block-tile-cell sparse grid data structure that is distributable to an arbitrary number of Message Passing Interface (MPI) ranks. We additionally propose strategies for efficient dynamic load balance optimization to maximize the efficiency of MPI tasks. Our simulation pipeline can easily switch among backend programming models, including OpenMP and CUDA, and can be effortlessly dispatched onto supercomputers and the cloud. Finally, we construct benchmark experiments and ablation studies on supercomputers and consumer workstations in a local network to evaluate the scalability and load balancing criteria. We demonstrate massively parallel, highly scalable, and gigascale resolution MPM simulations of up to 1.01 billion particles for less than 323.25 seconds per frame with 8 OpenSSH-connected workstations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

An implicit barotropic mode solver for MPAS-ocean using a modern Fortran solver interface

Here, we demonstrate use of a modern Fortran solver interface to manage solver algorithms for an implicit barotropic mode solver in the Model for Predictions Across Scales-Ocean (MPAS-O). ForTrilinos, a Fortran interface to Trilinos that contains a large collection of solver capabilities written in C++, has been implemented in MPAS-O to provide access to a suite of linear solver options. By virtue of the simplified wrapper and interface generator (SWIG) automation tool that generates modern Fortran interfaces to C++ code, we were able to implement the Fortran solver interface in MPAS-O using a familiar Fortran coding style while minimizing performance degradation. The ForTrilinos solver interface is written within MPAS-O’s time stepping modules as a subroutine in conjunction with MPAS-O code. Applied to an idealized ocean and a high-resolution realistic ocean test case, parallel performance of ForTrilinos solvers is examined. It is found that parallel scalability of the ForTrilinos solvers is highly dependent on the number of global synchronization points per solver iteration in each iterative solver algorithm. ForTrilinos solvers perform best compared to the Fortran hand-crafted (FHC) solver when the amount of work per processor is large enough. However, parallel scalability is better with the FHC solver and so when the work per core is modest FHC outperforms ForTrilinos. The intercomparison between the ForTrilinos and FHC solvers reveals that this performance hit in the ForTrilinos solver mostly comes from the global synchronization process, while suggesting that the matrix-vector multiplication process in the FHC solver needs to be optimized for better performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Stochastic Models, Indices & Optimization Algorithms for Pricing & Hedging Reliability Risks in Modern Power Grids: Data Plan - Princeton

We collected and cleaned the synthetic grid data produced by NREL for the Texas and New York synthetic grids. We developed a high dimensional joint stochastic model for load at the zone level, and solar and wind power productions at the asset level, capturing the spatial and temporal dependencies between all the variables, and demonstrated how such a model could be fitted to historical data. We designed and implemented a simulation engine which can produce Monte Carlo scenarios for the hourly day-ahead values of load, and solar and wind power productions at the spatial and temporal resolutions of the historical data used to fit the model. Finally we developed an open-source Python package which can, from an input grid model, efficiently use forecasts and large numbers of Monte Carlo scenarios to provide unit commitment and economic dispatch for each of these scenarios. The high dimensional stochastic model and the subsequent Monte Carlo simulation engine were implemented in the package PGscen and the corresponding UC and ED optimization programs in the package Vatic.

14 SOLAR ENERGY↗
DOE OSTI2024

Progressive Hedging Decomposition for Solutions of Large-Scale Process Family Design Problems

In previous work, we have introduced a mathematical model for solving a discretized version of the process family design problem. This involves two sets of decision variables. One set selects which unit module designs are included in the process platform out of a candidate set of options; the other set determines which of these unit module designs are assigned to each variant. In this work, we exploit a parallelized Progressive Hedging (PH) algorithm to solve even larger scale design problems. PH is a well-known algorithm traditionally used to solve stochastic programming problems. While our problem is not a two-stage stochastic programming problem, the structure is similar, and it can be directly mapped to the PH approach, which we employ here to solve this deterministic optimization problem. We decompose our problem by process variant. We treat the platform unit module design variables as first-stage and the assignment of unit module designs to variants as second-stage, solving the problem using mpi-sppy. We demonstrate this approach on case studies of CC, water desalination, and refrigeration.

Stinchfield, Georgia↗
NASA NTRS1988

A multistage linear array assignment problem

The implementation of certain algorithms on parallel processing computing architectures can involve partitioning contiguous elements into a fixed number of groups, each of which is to be handled by a single processor. It is desired to find an assignment of elements to processors that minimizes the sum of the maximum workloads experienced at each stage. This problem can be viewed as a multi-objective network optimization problem. Polynomially-bounded algorithms are developed for the case of two stages, whereas the associated decision problem (for an arbitrary number of stages) is shown to be NP-complete. Heuristic procedures are therefore proposed and analyzed for the general problem. Computational experience with one of the exact problems, incorporating certain pruning rules, is presented with one of the exact problems. Empirical results also demonstrate that one of the heuristic procedures is especially effective in practice.

Nicol, David M.↗
NASA NTRS1993

Next generation initiation techniques

Four-dimensional data assimilation strategies can generally be classified as either current or next generation, depending upon whether they are used operationally or not. Current-generation data-assimilation techniques are those that are presently used routinely in operational-forecasting or research applications. They can be classified into the following categories: intermittent assimilation, Newtonian relaxation, and physical initialization. It should be noted that these techniques are the subject of continued research, and their improvement will parallel the development of next generation techniques described by the other speakers. Next generation assimilation techniques are those that are under development but are not yet used operationally. Most of these procedures are derived from control theory or variational methods and primarily represent continuous assimilation approaches, in which the data and model dynamics are 'fitted' to each other in an optimal way. Another 'next generation' category is the initialization of convective-scale models. Intermittent assimilation systems use an objective analysis to combine all observations within a time window that is centered on the analysis time. Continuous first-generation assimilation systems are usually based on the Newtonian-relaxation or 'nudging' techniques. Physical initialization procedures generally involve the use of standard or nonstandard data to force some physical process in the model during an assimilation period. Under the topic of next-generation assimilation techniques, variational approaches are currently being actively developed. Variational approaches seek to minimize a cost or penalty function which measures a model's fit to observations, background fields and other imposed constraints. Alternatively, the Kalman filter technique, which is also under investigation as a data assimilation procedure for numerical weather prediction, can yield acceptable initial conditions for mesoscale models. The third kind of next-generation technique involves strategies to initialize convective scale (non-hydrostatic) models.

Warner, Tom↗
NASA NTRS2015

20-mN Variable Specific Impulse (Isp) Colloid Thruster

Busek Company, Inc., has designed and manufactured an electrospray emitter capable of generating 20 mN in a compact package (7x7x1.7 in). The thruster consists of nine porous-surface emitters operating in parallel from a common propellant supply. Each emitter is capable of supporting over 70,000 electrospray emission sites with the plume from each emitter being accelerated through a single aperture, eliminating the need for individual emission site alignment to an extraction grid. The total number of emission sites during operation is expected to approach 700,000. This Phase II project optimized and characterized the thruster fabricated during the Phase I effort. Additional porous emitters also were fabricated for full-scale testing. Propellant is supplied to the thruster via existing feed-system and microvalve technology previously developed by Busek, under the NASA Space Technology 7's Disturbance Reduction System (ST7-DRS) mission and via follow-on electric propulsion programs. This project investigated methods for extending thruster life beyond the previously demonstrated 450 hours. The life-extending capabilities will be demonstrated on a subscale version of the thruster.

Demmons, Nathaniel↗
DOE OSTI2024

Part-scale microstructure prediction for laser powder bed fusion Ti-6Al-4V using a hybrid mechanistic and machine learning model

Laser powder bed fusion (LPBF) Ti-6Al-4V is widely studied for use in structural applications in aerospace and medical industries, but mechanical anisotropy and microstructural inhomogeneity prohibits its wider adoption. Although successful microstructure prediction models have been developed, a remaining challenge is their limited integration across length/time scales and validation by experimental studies. Here, this work proposes a physics-augmented machine learning surrogate model to unite predictions of LPBF temperature, β phase morphology and texture, and α/α’ formation into a single framework that is calibrated and validated with experiments. First, a phase field (PF) model of the martensitic β→α’ transformation is developed and calibrated using data from in-situ synchrotron cyclic heating/cooling studies quantifying the variation of α phase fraction with time. In parallel, an established finite difference-Monte Carlo (FDMC) model predicts the part-scale temperature profile and β grain formation during solidification. A dataset is developed using LPBF cyclic temperature descriptors from the FDMC model as inputs and corresponding α/α’ phase fraction and width from the PF model as outputs. Five machine learning (ML) regression models are tested and optimized, having mean absolute error in testing ≤ 4 %, and the k-nearest neighbors (KNN) model is selected as the best performing. The KNN model is called at the nodal level during post-processing of the FDMC model to replace and downscale the response of the PF model. The combined agility and accuracy of the hybrid FDMC-ML model enables part-scale microstructure predictions that can be further used for property predictions to accelerate AM process optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2024

District heating utilizing waste heat of a data center: High-temperature heat pumps

Data centers are energy-intensive facilities with substantial low-grade waste heat. High-temperature heat pumps can be critical in boosting the data center’s waste heat for district heating, improving the system-level energy efficiency of data centers, and reducing CO 2 emissions in district heating. This study built thermodynamic models to assess high-temperature heat pumps with six configurations using low global warming potential refrigerants to supply heat up to 120 °C. The heat pump configurations include single-stage or two-stage cycles with advanced components, such as internal heat exchanger, economizer, flash tank, or parallel compressor. The refrigerants include R1234ze(Z), R1233ed(E), R1224yd(Z), R600, and R600a, and R245fa is used as a reference. A case study was carried out to recover the waste heat from the Frontier high-performance computing data center and provide hot water for district heating at the US Department of Energy’s Oak Ridge National Laboratory campus. The optimized performance of high-temperature heat pumps is characterized with various effectiveness of internal heat exchangers, and the operating parameters of economizer or flash tank, as well as their combination. The results show that the configurations of two-stage cycles with internal heat exchanger + flash tank and internal heat exchanger + economizer/parallel-compressor provide the highest coefficient of performance under scenarios of the maximum allowable value and a fixed value (0.3) of the internal heat exchangers’ effectiveness, respectively. R1234ze(Z) and R600a are the most promising refrigerants, considering trade-offs between the coefficient of performance and the volumetric heating capacity. The single-stage cycle with internal heat exchanger + economizer/parallel-compressor using R1234ze(Z) is recommended for utilizing Fronter’s waste heat in district heating. A one mega-watt high-temperature heat pump will reduce 33,100–33,200 metric tons of CO2 emission annually, corresponding to 85.4 %–85.6 % of equivalent CO2 emissions from natural gas boilers. Here, this study provides good guidelines for designing and deploying high-temperature heat pumps to support sustainable data centers and decarbonize district heating in the US.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗