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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Demonstration and Validation of Additively Manufactured Intensified Device for Enhanced Carbon Capture

In FY 2018 and 2019, ORNL personnel designed, prototyped, characterized, and tested the enhancement of amine-based carbon capture using additively manufactured intensified devices, i.e., devices combining multiple thermodynamic and kinetic processes into one unit operation. State of the art scrubbing technology often employs inter-stage cooling which requires multiple stages of single-purpose unit operations, leading to larger equipment size, higher capital cost, and sometimes less than optimal operating conditions for each piece of equipment. It was proposed that integrating multiple thermodynamic and kinetic operations into one unit could mitigate or negate these drawbacks. Heat and mass transfer studies demonstrated that an additively manufactured intensified device could significantly improve capture efficiency at bench scale. This project is a continuation of FEAA130 and aims at (1) demonstration and validation of enhanced CO 2 capture with 3D printed intensified devices (i.e., mass exchanger packing with internal cooling channels), for low-aqueous-solvent (LAS) based capture at the ORNL-constructed laboratory-scale (4.5-feet tall) column, namely Column A, with built-in cooling and (2) computational scoping on the conceptual design of a flexible and modular larger column, namely Column B, at ORNL for further demonstration of enhanced capture for aqueous solvent. To execute this multi-faceted project scope, an integrated project team from ORNL’s Manufacturing Science Division is tasked with applying capabilities in computational fluid dynamics (CFD), additive manufacturing, and absorber-scale demonstration/validation experiments.

42 ENGINEERING↗

DOE OSTI2021

Silicon-Based Anodes for Long-Cycle-Life Lithium-ion Batteries

CVD process has been studied and optimized to achieve 2x scale up of porous Si anode materials with a clean process. The roles of CVD temperature, duration, C 2 H 2 gas pressure, and carrier gas have been optimized. It is found that LHCE (LHCE-1 and LHCE-4) can lead to more than 50% increase in the cycling stability of Si||NMC622 cells. LHCE-4 can also lead to smaller impedance increase and longer calendar life when tested in single layer pouch cells. These results are very helpful in the understanding of the Si based anode and further development of Si based Li ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2026

Multi-Scale Modeling and Prototype Development for Electrochemical CO2 Reduction (CRADA Final Report)

In this CRADA project, Lawrence Livermore National Laboratory, Stanford University, SLAC National Laboratory, and TotalEnergies collaboratively executed a multidisciplinary investigation of electrochemical reduction of CO2 to produce sustainable fuels and chemicals. Overall, the project led to an increased understanding of the fundamental processes involved in CO2 electrolysis, from the atomistic scale to the full electrolyzer device scale, ultimately leading to design guidelines for CO2 electrolyzers that will help in their future commercialization. As the model systems, Ag- and Cu-based catalysts were investigated in various forms depending on the electrochemical platform that was utilized to study the activity, selectivity, and durability towards electrochemical CO2 reduction. By employing experimental, theoretical, and computational techniques, the project team experimentally validated multi-physics models, evaluated the experimental levers that lead to increased electrolyzer reaction selectivity and energy efficiency, and used computational optimization to design higher performance electrodes. The learnings of this project were extensively documented in publicly available peer-reviewed journal publications and conference presentations, which serve as a foundation for further work to build from.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Advances in 3D Gel Printing for Enzyme Immobilization

Incorporating enzymes with three-dimensional (3D) printing is an exciting new field of convergence research that holds infinite potential for creating highly customizable components with diverse and efficient biocatalytic properties. Enzymes, nature’s nanoscale protein-based catalysts, perform crucial functions in biological systems and play increasingly important roles in modern chemical processing methods, cascade reactions, and sensor technologies. Immobilizing enzymes on solid carriers facilitates their recovery and reuse, improves stability and longevity, broadens applicability, and reduces overall processing and chemical conversion costs. Three-dimensional printing offers extraordinary flexibility for creating high-resolution complex structures that enable completely new reactor designs with versatile sub-micron functional features in macroscale objects. Immobilizing enzymes on or in 3D printed structures makes it possible to precisely control their spatial location for the optimal catalytic reaction. Combining the rapid advances in these two technologies is leading to completely new levels of control and precision in fabricating immobilized enzyme catalysts. The goal of this review is to promote further research by providing a critical discussion of 3D printed enzyme immobilization methods encompassing both post-printing immobilization and immobilization by physical entrapment during 3D printing. Especially, 3D printed gel matrix techniques offer mild single-step entrapment mechanisms that produce ideal environments for enzymes with high retention of catalytic function and unparalleled fabrication control. Examples from the literature, comparisons of the benefits and challenges of different combinations of the two technologies, novel approaches employed to enhance printed hydrogel physical properties, and an outlook on future directions are included to provide inspiration and insights for pursuing work in this promising field.

3D printing↗

NASA NTRS1980

Development of a vortex-lift-design method and application to a slender maneuver-wing configuration

A method has been developed to optimize the mean camber surface of a cranked slender wing having leading-edge vortex flow at transonic-maneuver conditions using the suction analogy. This type of flow was assumed because it was anticipated that the slenderness of the wing would preclude attached flow at the required lift coefficient. A constraint was imposed in that the camber deflections were to be restricted by a realistic structural-box requirement. The resulting application yielded mean-camber shapes which produced effective suction levels equivalent to 77 percent of the full-planar leading-edge value at the design lift coefficient.

Lamar, J. E.↗

NASA NTRS1984

Structural synthesis: Precursor and catalyst

More than twenty five years have elapsed since it was recognized that a rather general class of structural design optimization tasks could be properly posed as an inequality constrained minimization problem. It is suggested that, independent of primary discipline area, it will be useful to think about: (1) posing design problems in terms of an objective function and inequality constraints; (2) generating design oriented approximate analysis methods (giving special attention to behavior sensitivity analysis); (3) distinguishing between decisions that lead to an analysis model and those that lead to a design model; (4) finding ways to generate a sequence of approximate design optimization problems that capture the essential characteristics of the primary problem, while still having an explicit algebraic form that is matched to one or more of the established optimization algorithms; (5) examining the potential of optimum design sensitivity analysis to facilitate quantitative trade-off studies as well as participation in multilevel design activities. It should be kept in mind that multilevel methods are inherently well suited to a parallel mode of operation in computer terms or to a division of labor between task groups in organizational terms. Based on structural experience with multilevel methods general guidelines are suggested.

Schmit, L. A.↗

NASA NTRS1989

Computational complexities and storage requirements of some Riccati equation solvers

The linear optimal control problem of an nth-order time-invariant dynamic system with a quadratic performance functional is usually solved by the Hamilton-Jacobi approach. This leads to the solution of the differential matrix Riccati equation with a terminal condition. The bulk of the computation for the optimal control problem is related to the solution of this equation. There are various algorithms in the literature for solving the matrix Riccati equation. However, computational complexities and storage requirements as a function of numbers of state variables, control variables, and sensors are not available for all these algorithms. In this work, the computational complexities and storage requirements for some of these algorithms are given. These expressions show the immensity of the computational requirements of the algorithms in solving the Riccati equation for large-order systems such as the control of highly flexible space structures. The expressions are also needed to compute the speedup and efficiency of any implementation of these algorithms on concurrent machines.

Utku, Senol↗

NASA NTRS1992

Data storage and retrieval system abstract

The STX mass storage system design is intended for environments requiring high speed access to large volumes of data (terabyte and greater). Prior to commitment to a product design plan, STX conducted an exhaustive study of the commercially available off-the-shelf hardware and software. STX also conducted research into the area of emerging technologies in networks and storage media so that the design could easily accommodate new interfaces and peripherals as they came on the market. All the selected system elements were brought together in a demo suite sponsored jointly by STX and ALLIANT where the system elements were evaluated based on actual operation using a client-server mirror image configuration. Testing was conducted to assess the various component overheads and results were compared against vendor data claims. The resultant system, while adequate to meet our capacity requirements, fell short of transfer speed expectations. A product team lead by STX was assembled and chartered with solving the bottleneck issues. Optimization efforts yielded a 60 percent improvement in throughput performance. The ALLIANT computer platform provided the I/O flexibility needed to accommodate a multitude of peripheral interfaces including the following: up to twelve 25MB/s VME I/O channels; up to five HiPPI I/O full duplex channels; IPI-s, SCSI, SMD, and RAID disk array support; standard networking software support for TCP/IP, NFS, and FTP; open architecture based on standard RISC processors; and V.4/POSIX-based operating system (Concentrix). All components including the software are modular in design and can be reconfigured as needs and system uses change. Users can begin with a small system and add modules as needed in the field. Most add-ons can be accomplished seamlessly without revision, recompilation or re-linking of software.

Matheson, Barbara↗

NASA NTRS1993

Application of controller partitioning optimization procedure to integrated flight/propulsion control design for a STOVL aircraft

A parameter optimization framework has earlier been developed to solve the problem of partitioning a centralized controller into a decentralized, hierarchical structure suitable for integrated flight/propulsion control implementation. This paper presents results from the application of the controller partitioning optimization procedure to IFPC design for a Short Take-Off and Vertical Landing (STOVL) aircraft in transition flight. The controller partitioning problem and the parameter optimization algorithm are briefly described. Insight is provided into choosing various 'user' selected parameters in the optimization cost function such that the resulting optimized subcontrollers will meet the characteristics of the centralized controller that are crucial to achieving the desired closed-loop performance and robustness, while maintaining the desired subcontroller structure constraints that are crucial for IFPC implementation. The optimization procedure is shown to improve upon the initial partitioned subcontrollers and lead to performance comparable to that achieved with the centralized controller. This application also provides insight into the issues that should be addressed at the centralized control design level in order to obtain implementable partitioned subcontrollers.

Garg, Sanjay↗

NASA NTRS1993

Application of controller partitioning optimization procedure to integrated flight/propulsion control design for a STOVL aircraft

Garg, Sanjay↗

NASA NTRS1991

Tactual interfaces: The human perceiver

Increasingly complex human-machine interactions, such as in teleoperation or in virtual environments, have necessitated the optimal use of the human tactual channel for information transfer. This need leads to a demand for a basic understanding of how the human tactual system works, so that the tactual interface between the human and the machine can receive the command signals from the human, as well as display the information to the human, in a manner that appears natural to the human. The tactual information consists of two components: (1) contact information which specifies the nature of direct contact with the object; and (2) kinesthetic information which refers to the position and motion of the limbs. This paper is mostly concerned with contact information.

Srinivasan, M. A.↗

NASA NTRS2002

Transonic Wing Shape Optimization Using a Genetic Algorithm

A method for aerodynamic shape optimization based on a genetic algorithm approach is demonstrated. The algorithm is coupled with a transonic full potential flow solver and is used to optimize the flow about transonic wings including multi-objective solutions that lead to the generation of pareto fronts. The results indicate that the genetic algorithm is easy to implement, flexible in application and extremely reliable.

Holst, Terry L.↗

NASA NTRS2014

Aeroacoustics of Space Vehicles

While for airplanes the subject of aeroacoustics is associated with community noise, for space vehicles it is associated with vibro-acoustics and structural dynamics. Surface pressure fluctuations encountered during launch and travel through lower part of the atmosphere create intense vibro-acoustics environment for the payload, electronics, navigational equipment, and a large number of subsystems. All of these components have to be designed and tested for flight-certification. This presentation will cover all three major sources encountered in manned and unmanned space vehicles: launch acoustics, ascent acoustics and abort acoustics. Launch pads employ elaborate acoustic suppression systems to mitigate the ignition pressure waves and rocket plume generated noise during the early part of the liftoff. Recently we have used large microphone arrays to identify the noise sources during liftoff and found that the standard model by Eldred and Jones (NASA SP-8072) to be grossly inadequate. As the vehicle speeds up and reaches transonic speed in relatively denser part of the atmosphere, various shock waves and flow separation events create unsteady pressure fluctuations that can lead to high vibration environment, and occasional coupling with the structural modes, which may lead to buffet. Examples of wind tunnel tests and computational simulations to optimize the outer mold line to quantify and reduce the surface pressure fluctuations will be presented. Finally, a manned space vehicle needs to be designed for crew safety during malfunctioning of the primary rocket vehicle. This brings the subject of acoustic environment during abort. For NASAs Multi-Purpose Crew Vehicle (MPCV), abort will be performed by lighting rocket motors atop the crew module. The severe aeroacoustics environments during various abort scenarios were measured for the first time by using hot helium to simulate rocket plumes in the Ames unitary plan wind tunnels. Various considerations used for the helium simulation and the final confirmation from a flight test will be presented.

launch vehicle↗

NASA NTRS2018

Impact of Gaps in the NASA-ISRO SAR Mission Swath

The NASA-ISRO Synthetic Aperture Radar (NISAR) mission will carry L-band and S-band SAR instruments, each with a 240 km swath width. The L-band instrument has the capability to map the entire Earth’s land and ice covered surfaces from both ascending and descending orbit positions, continuously in an exact 12 day repeating cycle, given temporally dense (better than 6-day on average) sampling of Earth over the life of the mission. To achieve this swath coverage without loss of resolution or polarimetric capability, NISAR uses a reflector-feed based antenna system with scan-on-receive (“SweepSAR”) capability. One of the characteristics of SweepSAR is that the pulse repetition interval of the radar is shorter than the echo receive window for the 240 km swath. Therefore, transmit events occur during the receive window and the receivers must be blanked periodically, creating gaps in the coverage. For fixed pulse rate operations, these gaps are persistent strips of blanked ranges. NISAR is being designed to allow variation of the pulse rate in order to spread out these gaps throughout the synthetic aperture, but processing these variably-acquired data is more challenging and can lead to compromises in image quality. At the highest level NISAR places requirements on science measurements rather than image quality, so there is often a debate among science and engineering team members as to whether to operate with fixed pulse rates – leading to range strips consistently blank from cycle to cycle but with optimal image quality – or to vary the pulse rate, fill in the gaps, and live with degraded image quality. NISAR’s performance team has shown that science requirements can be met with the gaps. However, scientists are eager for maximum and coverage within a swath. A companion paper (Villano et al.) describes image quality for NISAR using a variable PRF approach, but does not go further to science requirements. This paper explores the issues when gaps are present in the swath due to fixed PRF operations.

Veeramachaneni, Chandini↗

NASA NTRS2021

Distributed Aperture Radar Tomographic Sensors (darts) to Map Surface Topography and Vegetation Structure

Distributed Aperture Radar Tomographic Sensors (DARTS)is a mission concept being studied at the NASA Jet PropulsionLaboratory in collaboration with the California Institute ofTechnology to enable global and repeated imaging of surfacetopography and three-dimensional vegetation structure usingsingle-pass tomographic SAR technique. The observing systemconsists of a distributed formation of multiple small syntheticaperture radar platforms deployed in space with variabledistances to achieve look angle diversity and sensitivityto the vertical distribution of vegetation components. Ourgoal is to identify the optimal system configuration startingfrom documented community needs and mature the criticaltechnologies that lead to a viable implementation of DARTS.Here, we provide an overview of DARTS and describe ourapproach for designing and demonstrating single-pass SARtomographic systems as part of an on-going funded NASA Instrument Incubator Program effort.

Chung, Soon-Jo↗

DOE OSTI2023

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗

DOE OSTI2023

Promoting propane dehydrogenation over PtFe bimetallic catalysts by optimizing the state of Fe species

Optimizing the structure of Pt-based bimetallic catalysts is of utmost importance toward improving the propane dehydrogenation performance. It is challenging to precisely synthesize uniform PtFe alloy nanoparticles without excess unalloyed Fe species on the support as these Fe species lead to low propylene selectivity, coke deposition, and poor stability. Herein, we report an effective strategy to optimize the structure of PtFe bimetallic catalysts with minimal coke and high turnover frequency (8.2 s -1 ). For the optimized catalyst, 1Pt3Fe@S-1, most Fe species is in the framework of the zeolite S-1, which significantly suppresses the formation of coke. In addition, the extra-framework Fe and Pt species encapsulated in the channel of zeolite form uniform PtFe alloy nanoparticles, which significantly improves the C 3 H 6 selectivity, catalytic stability, and recycling performance. In conclusion, these findings provide insights into the structure-performance relationship of PtFe bimetallic catalysts and shall be beneficial to future design and optimization of similar catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Bayes_Opt-SWMM: A Gaussian process-based Bayesian optimization tool for real-time flood modeling with SWMM

Real-time flood model plays a pivotal role in averting urban flood damage, particularly when there is minimal lead time for preparatory measures. However, urban flood modeling in real-time often contends with inherent uncertainties arising from input data uncertainty and parameter ambiguities. Here this study introduces a real-time calibration (RTC) tool called Bayes_Opt-SWMM, specifically tailored for real-time urban flood modeling and uncertainty optimization. This tool leverages the Gaussian process-based Bayesian optimization algorithm and interfaces seamlessly with the Stormwater Management Model (SWMM). It integrates real-time model forcing data and flood monitoring collected through sensors and gauges which are strategically placed within critical locations of urban drainage systems. Our approach hinges on the Surrogate Model based Uncertainty Optimization (SMUO) concept, providing an avenue for enhancing real-time flood modeling. Bayes_Opt-SWMM runs the optimization process using a surrogate model called Gaussian Process emulator with two inference methods: (1) the Gaussian Process (GP) model and (2) Markov Chain Monte Carlo (MCMC) algorithm in GP model (GP_MCMC). Furthermore, three acquisition functions, namely Expected Improvement (EI), Maximum Probability of Improvement (MPI), and Lower Confidence Bound (LCB), facilitate optimal parameter fitting within the surrogate models. The efficiency of GP-based surrogate models in learning SWMM model parameters, leads to an improved uncertainty quantification and accelerated real-time flood modeling in urban areas. Overall, Bayes_Opt-SWMM emerges as a cost-effective and valuable tool for real-time flood modeling and monitoring, with significant potential for managing intelligent storm water systems in urban environments.

54 ENVIRONMENTAL SCIENCES↗