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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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DOE OSTI2024

Simulation of open quantum systems via low-depth convex unitary evolutions

Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because they typically require ancilla qubits and extensive controlled sequences. In this work, we propose a hybrid quantum-classical approach for simulating a class of open system dynamics called random-unitary channels. These channels naturally decompose into a series of convex unitary evolutions, which can then be efficiently sampled and run as independent circuits. The method does not require deep ancilla frameworks and thus can be implemented with lower noise costs. We implement simulations of open quantum systems up to dozens of qubits and with large channel ranks. Published by the American Physical Society 2024

Peetz, Joseph (ORCID:0000000274458028)↗

DOE OSTI2025

Modeling MTS pyrolysis and SiC deposition kinetics using principal component analysis and neural networks

Accurate chemical kinetics modeling is crucial for improving the efficiency of chemical processing and synthesis of ceramic matrix composites. Detailed kinetic models are computationally expensive due to the large number of transported chemical species, while the simplified physics-based models, such as single-step global mechanisms, are efficient but often overlook key chemical intermediates and pathways. Recent deep learning approaches promise accurate and cost-effective models. Yet, they require additional closures for the transported nonlinear latent variables, complicating integration with existing solvers. In this work, we develop a hybrid linear—nonlinear reduced model for silicon carbide deposition from methyltrichlorosilane precursor by combining principal component analysis (PCA) and autoencoder (AE) neural network (NN) approaches. PCA is used to identify a smaller set of linear transport variables, enabling direct reuse of conventional transport solvers. NNs then reconstruct the full chemical state from these reduced variables. We demonstrate the method on a chemical vapor deposition reactor—comprising a gas-phase pyrolysis plug flow reactor and a heterogeneous surface reactor—over a wide range of temperatures, pressures, and residence times. Our PCA–AE model achieves high accuracy with only five transported scalars, achieving an eightfold cost reduction compared to detailed mechanisms, in both a priori (using data from the test set only) and a posteriori (coupled with a differential equation solver). In conclusion, notable errors arise primarily near training domain boundaries and for long residence times, indicating the need for domain shift indicators and better long-horizon predictions in future reduced chemistry model development.

autoencoder neural networks↗

DOE OSTI2023

Simultaneous Brillouin and piezoelectric coupling to a high-frequency bulk acoustic resonator

Bulk acoustic resonators support robust, long-lived mechanical modes, capable of coupling to various quantum systems. In separate works, such devices have achieved strong coupling to both superconducting qubits, via piezoelectricity, and optical cavities, via Brillouin interactions. In this work, we present a hybrid microwave–optical platform capable of coupling to bulk acoustic waves through cavity-enhanced piezoelectric and photoelastic interactions. The modular, tunable system achieves fully resonant and well-mode-matched interactions among a 3D microwave cavity, a high-frequency bulk acoustic resonator, and a Fabry–Perot cavity. We realize this piezo–Brillouin interaction in x-cut quartz, demonstrating the potential for strong optomechanical interactions and high cooperativity using optical cavity enhancement. We further show how this device functions as a bidirectional electro–opto–mechanical transducer, with transduction efficiency exceeding 10 − <#comment/> 8 , and a feasible path towards unity conversion efficiency. The high optical sensitivity and ability to apply a large resonant microwave field in this system also offers a tool for probing anomalous electromechanical couplings, which we demonstrate by investigating (nominally centrosymmetric) C a F 2 and revealing a parasitic piezoelectricity of 83 am/V. Such studies are an important topic for emerging quantum technologies, and highlight the versatility of this hybrid platform.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

LANL Activities on Mechanistic Approach to Analyzing and Improving Unconventional Hydrocarbon Production

Hydrocarbon production from shale reservoirs is inherently inefficient and challenging since these are low permeability plays. In addition, there is a limited understanding of the fundamentals and the controlling mechanisms, further complicating how to optimize these plays. Herein, we summarize our experimental and computational efforts fully and partially supported by the fundamental shale portfolio to reveal unconventional shale fundamentals and devise development strategies to enhance extraction efficiency with a minimal environmental footprint. Integrating these fundamentals with machine learning, we outline a pathway to improve the predictive power of our models, which enhances the forecast quality of production, thereby improving the economics of operations in unconventional reservoirs. For instance, we have developed science informed workflows and platforms for optimizing pressure-drawdown at a site, which allow operators to make reservoir-management decisions that optimize recovery in consideration of future production. Recently, our work relies on the hybridization of physics-based prediction and machine learning, whereby accurate synthetic data (combined with available site data) can enable the application of machine learning methods for rapid forecasting and optimization. Consequently, the workflow and platform are readily extendable to operations at other sites, plays, and basins.

04 OIL SHALES AND TAR SANDS↗

DOE OSTI2025

Case Study: Seattle Waterfront Networked Microgrid Evaluation - Case Study for Port Electrification Handbook

Many ports and waterfronts are evaluating alternative electrification efforts, including electrification of passenger and vehicle ferries. In Seattle, the Washington State Department of Transportation, in conjunction with Seattle City Light (the local utility) and the Port of Seattle, are working to deploy a hybrid electric ferry and provide charging at Seattle’s Colman dock. As part of this ferry electrification effort, Seattle City Light is considering including a large battery energy storage system (BESS) to help “buffer” the ferry charging. The “buffer” provides energy arbitrage and spreads out the large amount of power needed to recharge the ferry to times when the ferry is out of the dock – rather than one very large peak for 15 minutes, the battery storage allows it to be a smaller power value over a longer duration. This initial BESS concept served as the jumping off point to explore an expanded microgrid concept via a notional test system that incorporates additional distributed energy resources (DER) and infrastructure upgrades to the local distribution infrastructure at the Seattle Waterfront and neighboring Port of Seattle properties. This case study examined the potential for secondary use of the BESS within a networked microgrid during the scenario of a large-scale power outage, such as a natural disaster.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Using mechanistic models and machine learning to design single-color multiplexed nascent chain tracking experiments

mRNA translation is the ubiquitous cellular process of reading messenger-RNA strands into functional proteins. Over the past decade, large strides in microscopy techniques have allowed observation of mRNA translation at a single-molecule resolution for self-consistent time-series measurements in live cells. Dubbed Nascent chain tracking (NCT), these methods have explored many temporal dynamics in mRNA translation uncaptured by other experimental methods such as ribosomal profiling, smFISH, pSILAC, BONCAT, or FUNCAT-PLA. However, NCT is currently restricted to the observation of one or two mRNA species at a time due to limits in the number of resolvable fluorescent tags. In this work, we propose a hybrid computational pipeline, where detailed mechanistic simulations produce realistic NCT videos, and machine learning is used to assess potential experimental designs for their ability to resolve multiple mRNA species using a single fluorescent color for all species. Our simulation results show that with careful application this hybrid design strategy could in principle be used to extend the number of mRNA species that could be watched simultaneously within the same cell. We present a simulated example NCT experiment with seven different mRNA species within the same simulated cell and use our ML labeling to identify these spots with 90% accuracy using only two distinct fluorescent tags. We conclude that the proposed extension to the NCT color palette should allow experimentalists to access a plethora of new experimental design possibilities, especially for cell Signaling applications requiring simultaneous study of multiple mRNAs.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1989

Mission scheduling

How a neural network can work, compared to a hybrid system based on an operations research and artificial intelligence approach, is investigated through a mission scheduling problem. The characteristic features of each system are discussed.

Gaspin, Christine↗

NASA NTRS1990

Issues and directions in IR detector readout electronics

An introduction to the major issues encountered in the readout of imaging detector arrays in the infrared are presented. These include circuit issues such as multiplexing, buffering, and noise, as well as materials issues. Future directions in infrared readout electronics will also be discussed. These include on-chip signal processing and advanced hybridization schemes. Finally, recent work at Columbia on 2DEG-charge coupled devices for IR detector multiplexing are described.

Fossum, Eric R.↗

NASA NTRS1992

Recognition of partially occluded threat objects using the annealed Hopefield network

Recognition of partially occluded objects has been an important issue to airport security because occlusion causes significant problems in identifying and locating objects during baggage inspection. The neural network approach is suitable for the problems in the sense that the inherent parallelism of neural networks pursues many hypotheses in parallel resulting in high computation rates. Moreover, they provide a greater degree of robustness or fault tolerance than conventional computers. The annealed Hopfield network which is derived from the mean field annealing (MFA) has been developed to find global solutions of a nonlinear system. In the study, it has been proven that the system temperature of MFA is equivalent to the gain of the sigmoid function of a Hopfield network. In our early work, we developed the hybrid Hopfield network (HHN) for fast and reliable matching. However, HHN doesn't guarantee global solutions and yields false matching under heavily occluded conditions because HHN is dependent on initial states by its nature. In this paper, we present the annealed Hopfield network (AHN) for occluded object matching problems. In AHN, the mean field theory is applied to the hybird Hopfield network in order to improve computational complexity of the annealed Hopfield network and provide reliable matching under heavily occluded conditions. AHN is slower than HHN. However, AHN provides near global solutions without initial restrictions and provides less false matching than HHN. In conclusion, a new algorithm based upon a neural network approach was developed to demonstrate the feasibility of the automated inspection of threat objects from x-ray images. The robustness of the algorithm is proved by identifying occluded target objects with large tolerance of their features.

Kim, Jung H.↗

NASA NTRS1995

Methods for prismatic/tetrahedral grid generation and adaptation

The present work involves generation of hybrid prismatic/tetrahedral grids for complex 3-D geometries including multi-body domains. The prisms cover the region close to each body's surface, while tetrahedra are created elsewhere. Two developments are presented for hybrid grid generation around complex 3-D geometries. The first is a new octree/advancing front type of method for generation of the tetrahedra of the hybrid mesh. The main feature of the present advancing front tetrahedra generator that is different from previous such methods is that it does not require the creation of a background mesh by the user for the determination of the grid-spacing and stretching parameters. These are determined via an automatically generated octree. The second development is a method for treating the narrow gaps in between different bodies in a multiply-connected domain. This method is applied to a two-element wing case. A High Speed Civil Transport (HSCT) type of aircraft geometry is considered. The generated hybrid grid required only 170 K tetrahedra instead of an estimated two million had a tetrahedral mesh been used in the prisms region as well. A solution adaptive scheme for viscous computations on hybrid grids is also presented. A hybrid grid adaptation scheme that employs both h-refinement and redistribution strategies is developed to provide optimum meshes for viscous flow computations. Grid refinement is a dual adaptation scheme that couples 3-D, isotropic division of tetrahedra and 2-D, directional division of prisms.

Kallinderis, Y.↗

NASA NTRS2015

Prototype Imaging Spectrograph for Coronagraphic Exoplanet Studies (PISCES) for WFIRST/AFTA

Prototype Imaging Spectrograph for Coronagraphic Exoplanet Studies (PISCES) is a prototype lenslet array based integral field spectrometer (IFS) designed for high contrast imaging of extrasolar planets. PISCES will be used to advance the technology readiness of the high contrast IFS baselined on the Wide-Field InfraRed Survey TelescopeAstrophysics Focused Telescope Assets (WFIRSTAFTA) coronagraph instrument. PISCES will be integrated into the high contrast imaging testbed (HCIT) at the Jet Propulsion Laboratory and will work with both the Hybrid Lyot Coronagraph (HLC) and the Shaped Pupil Coronagraph (SPC). We will present the PISCES optical design, including the similarities and differences of lenslet based IFSs to normal spectrometers, the trade-off between a refractive design and reflective design, as well as the compatibility to upgrade from the current 1k x 1k detector array to 4k x 4k detector array. The optical analysis, alignment plan, and mechanical design of the instrument will be discussed.

Integral Field Spectrometer↗

NASA NTRS2015

Prototype Imaging Spectrograph for Coronagraphic Exoplanet Studies (PISCES) for WFIRST/AFTA

Prototype Imaging Spectrograph for Coronagraphic Exoplanet Studies (PISCES) is a lenslet array based integral field spectrometer (IFS) designed for high contrast imaging of extrasolar planets. PISCES will be used to advance the technology readiness of the high contrast IFS baselined on the Wide-Field InfraRed Survey Telescope/Astrophysics Focused Telescope Assets (WFIRST/AFTA) coronagraph instrument. PISCES will be integrated into the high contrast imaging testbed (HCIT) at the Jet Propulsion Laboratory and will work with both the Hybrid Lyot Coronagraph (HLC) and the Shaped Pupil Coronagraph (SPC) cofigurations. We discuss why the lenslet array based IFS is selected for PISCES. We present the PISCES optical design, including the similarities and differences of lenslet based IFSs to normal spectrometers, the trade-off between a refractive design and reflective design, as well as the specific function of our pinhole mask on the back surface of the lenslet array to further suppress star light introduced speckles. The optical analysis, alignment plan, and mechanical design of the instrument will be discussed.

Integral field spectrometer↗

NASA NTRS2015

Prototype Imaging Spectrograph for Coronagraphic Exoplanet Studies (PISCES) for WFIRST-AFTA

Prototype Imaging Spectrograph for Coronagraphic Exoplanet Studies (PISCES) is a lenslet array based integral field spectrometer (IFS) designed for high contrast imaging of extrasolar planets. PISCES will be used to advance the technology readiness of the high contrast IFS baselined on the Wide-Field InfraRed Survey Telescope/Astrophysics Focused Telescope Assets (WFIRST-AFTA) coronagraph instrument. PISCES will be integrated into the high contrast imaging testbed (HCIT) at the Jet Propulsion Laboratory (JPL) and will work with both the Hybrid Lyot Coronagraph (HLC) and the Shaped Pupil Coronagraph (SPC) configurations. We discuss why the lenslet array based IFS was selected for PISCES. We present the PISCES optical design, including the similarities and differences of lenslet based IFSs to normal spectrometers, the trade-off between a refractive design and reflective design, as well as the specific function of our pinhole mask on the back surface of the lenslet array to reduce the diffraction from the edge of the lenslets. The optical analysis, alignment plan, and mechanical design of the instrument will be discussed.

Wide-Field InfraRed Survey Telescope Astrophysics ↗

NASA NTRS2017

Development and Applications of the FV3 GEOS-5 Adjoint Modeling System

GMAO has developed a highly sophisticated adjoint modeling system based on the most recent version of the finite volume cubed sphere (FV3) dynamical core. This provides a mechanism for investigating sensitivity to initial conditions and examining observation impacts. It also allows for the computation of singular vectors and for the implementation of hybrid 4DVAR. In this work we will present the scientific assessment of the new adjoint system and show results from a number of research application of the adjoint system.

Holdaway, Daniel↗

DOE OSTI2020

Process Development of the Vaporizing Foil Actuator Welding Technique

The industrial focus on continuous improvement for products is leading design engineers to consider multi-material design concepts more frequently. The design concepts use the advantages of each material while simultaneously minimizing the drawbacks. It also allows for the overall weight of the products to be reduced. Some traditional joining methods, though, struggle to join dissimilar material combinations. A technique known as vaporizing foil actuator welding, which was developed around ten years ago, is a solid-state joining method that has the potential to overcome the barriers to dissimilar material joining. The biggest drawbacks of vaporizing foil actuator welding are that it is still exclusively used in laboratory settings and early in the technology development process. As such, there is not enough confidence in the process for it to be transitioned to manufacturing environments yet. This work begins by analyzing the current state of the technology and identifying a roadmap to achieve a transition to manufacturing. The analysis found that increased confidence in the technology requires sample to sample repeatability to be improved. Beyond that, the process also needs to be fully automated before it can be considered as a viable technique for mass production. In order to further develop the technique, a fully automated work cell was constructed. By removing the human element from the process, this cell helped identify iii the aspects which contribute to process variability. The positioning of the vaporizing foil actuator was identified as the most important factor in process stability. A small set of samples were made in the automated cell with the addition of one component epoxy adhesive around the perimeter of the weld. These samples showed improved process repeatability compared with the samples made without adhesive. This indicates that small amounts of adhesive may be critical in using the process in industrial settings. Additionally, work was performed with manual positioning and adhesive dispensing. This work found that a hybrid joint behaves like traditional weld bonding, where the addition of adhesive makes the joint stronger than if either of the two joining methods were used on their own. To realize this performance with vaporizing foil actuator welding, though, the adhesive needs to be protected from burning during the rapid compression of air during the impact process.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

An Active Model Split for Hybrid RANS/LES of Compressible Flows

Hybrid RANS/LES models have consistently shown superior accuracy over RANS in predictions of massively separated flows. However, these models have experienced difficulties with modeled stress depletion, smooth-wall separated flow, and shock-separated flows. The Active Model Split (AMS) hybridization was created to address some of the fundamental shortcomings of traditional hybrid RANS/LES models. While previous work considered incompressible flows, this paper demonstrates how the AMS framework can be extended to address compressible flows. AMS-based hybrid models for the turbulent heat flux and turbulent transport terms in the total energy equation are presented. This compressible hybrid RANS/LES framework is demonstrated on a subsonic channel, a supersonic channel, and a transonic shock-boundary layer interaction. Record includes video of presentation, to view download the mp4 video attached run time of 10 mins 18 secs.

hybrid RANS/LES↗

DOE OSTI2020

Advanced Modular Sub-Atmospheric Hybrid Heat Engine (Phase 1 Final Report)

The Phase 1 Final Report describes the results of the work completed during the “Advanced Modular Sub-Atmospheric Hybrid Heat Engine” project. The objectives of Phase 1 work were to develop a conceptual design of the turbine-based modular hybrid heat engine (MHHE), including thermodynamic cycle analysis, define the nominal engine component boundary conditions, identify technology gaps, and develop a detailed test plan to address these gaps through bench scale testing in a potential subsequent Phase 2 project. To achieve the project objective, the following activities were performed in Phase 1 work: (1) Market analysis and primary fuel selection, (2) Conceptual design and integrated layout development, (3) Design support and key components characterization, (4) Planning to move technology to pre-commercial demonstration.

42 ENGINEERING↗

DOE OSTI2022

Stabilized photoemission from organic molecules in zero-dimensional hybrid Zn and Cd halides

This work explores the utilization of a photoactive organic cation for the preparation of R 2 MCl 4 (M = Zn, Cd; R = (E)-4-styrylpyridinium, C 13 H 12 N + ). Here, the zero-dimensional crystal structures of R 2 MCl 4 contain isolated tetrahedral anions [MCl 4 ] 2– separated by the organic cations R + , leading to flat bands around the optical band gap. In R 2 MCl 4 , the inorganic band gaps are sufficiently large to accommodate the organic molecular levels within, and therefore, the optical properties of R 2 MCl 4 are determined by the organic cation. Our combined optical spectroscopy and density functional theory (DFT) studies confirm the attribution of the bright green photoluminescence demonstrated by R 2 MCl 4 to the organic molecular emission. Importantly, the incorporation of the photoemissive organic cation R + into the hybrid framework in R 2 MCl 4 leads to a nearly two-fold enhancement of the light emission efficiency with the measured photoluminescence quantum yield (PLQY) values of 6.04%, 10.40% and 11.21% for RCl, R 2 ZnCl 4 and R 2 CdCl 4 , respectively. In addition, the crystal structure of the hybrid R 2 MCl 4 ensures a stabilized PL emission, preventing the occurrence of the harmful organic photodimerization, which is a notorious problem for this class of organic emitters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗