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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 919 records · Page 51

Lossy compression of statistical data using quantum annealer

Abstract We present a new lossy compression algorithm for statistical floating-point data through a representation learning with binary variables. The algorithm finds a set of basis vectors and their binary coefficients that precisely reconstruct the original data. The optimization for the basis vectors is performed classically, while binary coefficients are retrieved through both simulated and quantum annealing for comparison. A bias correction procedure is also presented to estimate and eliminate the error and bias introduced from the inexact reconstruction of the lossy compression for statistical data analyses. The compression algorithm is demonstrated on two different datasets of lattice quantum chromodynamics simulations. The results obtained using simulated annealing show 3–3.5 times better compression performance than the algorithm based on neural-network autoencoder. Calculations using quantum annealing also show promising results, but performance is limited by the integrated control error of the quantum processing unit, which yields large uncertainties in the biases and coupling parameters. Hardware comparison is further studied between the previous generation D-Wave 2000Q and the current D-Wave Advantage system. Our study shows that the Advantage system is more likely to obtain low-energy solutions for the problems than the 2000Q.

97 MATHEMATICS AND COMPUTING↗

Data-based filtered dissipation rate modelling for multi-modal turbulent combustion: evaluating a priori model generalizability

Manifold-based models offer a computationally efficient alternative to directly transporting the thermochemical state in computational simulations of turbulent reacting flows, projecting the high-dimensional thermochemical state-space onto a low-dimensional manifold. Recent efforts have yielded a manifold-based model applicable to multi-modal combustion, enabling reconstruction of the thermochemical state from solutions to two-dimensional manifold equations in mixture fraction and generalized progress variable that are parameterised by three scalar dissipation rates. In coarse-grained simulations such as Large Eddy Simulation (LES), closure of the multi-modal manifold equations and subfilter variances/covariance requires closure of three filtered scalar dissipation rates. Here, the present work adopts a data-based approach, providing closure for the three filtered scalar dissipation rates via deep neural networks (DNNs). High-fidelity datasets corresponding to an autoigniting n-dodecane jet flame and a bluff body swirl-stabilized confined lifted spray flame of two aviation fuels (Jet-A and C1) with different ignition propensities are leveraged to generate training data that spans a diverse range of thermodynamic conditions and combustion modes, including low- and high-temperature ignition regimes in addition to premixed and nonpremixed behaviour. A final DNN model is trained to enforce inherent physical constraints by learning nonlinear functional transformations of the three filtered scalar dissipation rates. The generalizability of this constrained DNN model is demonstrated a priori via conditional statistics evaluated on the lifted spray flame with C1–a configuration that had not been included in the training data. Excellent DNN agreement with conditional DNS statistics is observed, and integrated gradients are computed to identify the most sensitive input variables. The similarity of the marginal PDFs of the most informative input variables and outputs across configurations are quantified via the Wasserstein metric, demonstrating that data-based models may successfully generalize to unseen parametric conditions so long as the most informative input variables share similar distributions across training and testing datasets.

Data-based modelling↗

Low Power, Radiation Resilient Synchronous Edge Processing for Remote Monitoring

Next-generation space remote sensing systems may be equipped with imaging arrays that sense data at a rate that outstrips the processing capability of any computing hardware that can operate within a satellite’s power budget. This project developed novel convolutional and recurrent neural networks to detect and estimate point-like events amid clutter, and investigated their efficient and accurate implementation on analog in-memory computing systems that are 10-1000× more energy-efficient than digital processors. This project leveraged two memory devices at different levels of technological maturity: a large-scale analog computing prototype using commercial SONOS charge-trap memory, and electrochemical memory (ECRAM) with intrinsic radiation hardness. We experimentally demonstrated end-to-end analog processing of our neural networks on SONOS and characterized the radiation response of both SONOS and ECRAM. We advanced the state-of-the-art in ECRAM precision and reliability, and developed co-design methods to enable accurate long-term operation of SONOS analog accelerators in space radiation environments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Real-Time Sea State Estimation for Wave Energy Converter Control via Machine Learning

Wave energy converters (WECs) harness the untapped power of ocean waves to generate renewable energy, offering a promising solution to sustainable energy. An optimal WEC control strategy is essential to maximize power capture that dynamically adjusts system parameters in response to rapidly changing sea states. This study presents a novel control approach that leverages neural networks to estimate sea states from onboard WEC measurements such as position, velocity, and force. Using a point absorber WEC device as a test platform, our proposed approach estimates sea states in real-time and subsequently adjusts PID controller gains to maximize energy extraction. Simulation results across diverse sea conditions demonstrate that our strategy eliminates the need for external wave monitoring equipment while maintaining power capture efficiency. The results show that our neural network-based control technique can improve power capture by 25.6% while significantly reducing system complexity. This approach offers a practical alternative for WEC deployments where direct wave measurements are either infeasible or cost prohibitive.

PIDcontrol↗

Applying Space Technology to Enhance Control of an Artificial Arm

At the present time, myoelectric prostheses perform only one function of the hand: open and close with the thumb, index and middle finger coming together to grasp various shaped objects. To better understand the limitations of the current single-function prostheses and the needs of the individuals who use them, The Institute for Rehabilitation and Research (TIRR), sponsored by the National Institutes of Health (August 1992 - November 1994), surveyed approximately 2500 individuals with upper limb loss. When asked to identify specific features of their current electric prosthesis that needed improvement, the survey respondents overwhelmingly identified the lack of wrist and finger movement as well as poor control capability. Simply building a mechanism with individual finger and wrist motion is not enough. Individuals with upper limb loss tend to reject prostheses that require continuous visual monitoring and concentration to control. Robotics researchers at NASA's Johnson Space Center (JSC) and Rice University have made substantial progress in myoelectric teleoperation. A myoelectric teleoperation system translates signals generated by an able-bodied robot operator's muscles during hand motions into commands that drive a robot's hand through identical motions. Farry's early work in myoelectric teleoperation used variations over time in the myoelectric spectrum as inputs to neural networks to discriminate grasp types and thumb motions. The resulting schemes yielded up to 93% correct classification on thumb motions. More recently, Fernandez achieved 100% correct non-realtime classification of thumb abduction, extension, and flexion on the same myoelectric data. Fernandez used genetic programming to develop functions that discriminate between thumb motions using myoelectric signal parameters. Genetic programming (GP) is an evolutionary programming method where the computer can modify the discriminating functions' form to improve its performance, not just adjust numerical coefficients or weights. Although the function development may require much computational time and many training cases, the resulting discrimination functions can run in realtime on modest computers. These results suggest that myoelectric signals might be a feasible teleoperation medium, allowing an operator to use his or her own hand and arm as a master to intuitively control an anthropomorphic robot in a remote location such as outer space.

Atkins, Diane↗

Multitask graph neural networks for elastoplastic response prediction in dual-phase polycrystals

Microstructure-sensitive prediction of elastoplastic response remains a recurring bottleneck in multiscale damage and fatigue modeling, where large ensembles of statistically distinct polycrystals are required to quantify variability and extreme-value behavior. In this work, we develop a multitask graph neural network (GNN) surrogate that maps dual-phase ferrite–martensite polycrystal microstructures to Statistical Volume Element (SVE)-level elastoplastic Quantities of Interest (QoIs). Each SVE is represented as a grain-adjacency graph, with node features encoding phase, geometry, and crystallographic orientation, and edge features encoding relative misorientation. A message-passing graph convolution generates node embeddings, which are pooled into a graph representation and passed to a multitask regression head that jointly predicts 10 scalar QoIs and vector-valued stress–strain responses in orthogonal loading directions across multiple martensite volume fractions and SVE sizes. Results show high accuracy for scalar QoIs and strong agreement for full stress–strain trajectories, with population envelopes reproducing both median behavior and finite-SVE variability across compositions and partition scales. A unified model trained on pooled volume-fraction data preserves most within-regime accuracy relative to regime-specific models while also capturing the broader cross-regime variation reflected in the pooled test set. Distributional comparisons further demonstrate that the surrogate preserves heterogeneity under SVE partitioning, enabling statistically consistent block-wise random-field construction for mesoscale analyses. Overall, the proposed grain-graph surrogate provides a practical pathway to accelerate ensemble-based studies of SVE-level constitutive variability in dual-phase polycrystals.

Crystal plasticity↗

Reliable and Efficient Machine Learning (Final Technical Report)

Modern scientific experiments generate massive amounts of data at a pace much faster than humans can manually analyze. While machine learning has revolutionized commercial data analysis (such as recommending movies or recognizing faces), applying these tools to complex scientific discovery is challenging because scientific answers must be precise, interpretable, and adhere to physical laws. The research under this project aims to develop new mathematical tools and computer algorithms specifically designed for scientific applications. Major progress has been made in automatically cleaning and deconstructing messy experimental data, analyzing the visual information of physical phenomena, determining the underlying physical variables, and providing rig orous mathematical analysis of interesting algorithms and concepts widely used in machine learning. This project addressed the critical gap between our ability to generate massive scientific data and our ability to extract interpretable information from it. We established mathematical foundations for Scientific Machine Learning (SciML) aimed at effective data analytics and automated discovery. Our work focused on three core objectives: (1) developing reliable feature extraction methods for dynamic high-dimensional data, (2) establishing mathematical foundations for discovering dynamics via neural networks, and (3) creating rigorous optimization techniques for these models. Key outcomes come from two fronts. On the practical side, they include the development of algorithms that significantly enhance the extraction of signals from field data, as well as the capability to handle situations that exhibit smooth variations or physical stretching due to temperature changes. They also include the creation of an automated framework for discovering fundamental state variables from raw experimental data, demonstrating the ability to identify intrinsic physical dimensions without prior knowledge of the governing laws. On the theoretical front, the research results in theoretical advances in Optimal Transport, a widely used notion in SciML, specifically regarding functions with fixed-size nodal sets, provide sharp bounds relevant to uncertainty quantification. Meanwhile, the outcomes also include the establishment of convergence theories for nonlocal gradient descent methods, enabling robust optimization with noisy data in high-dimensional settings commonly encountered in scientific modeling. The project also helps creating opportunities to train the next generation of researchers, equipping them with the necessary technical skills for today’s workplace and preparing them for future advances.

97 MATHEMATICS AND COMPUTING↗

Optimization and Prediction of Spectral Response of Metasurfaces Using Artificial Intelligence

Hot-electron generation has been a topic of intense research for decades for numerous applications ranging from photodetection and photochemistry to biosensing. Recently, the technique of hot-electron generation using non-radiative decay of surface plasmons excited by metallic nanoantennas, or meta-atoms, in a metasurface has attracted attention. These metasurfaces can be designed with thicknesses on the order of the hot-electron diffusion length. The plasmonic resonances of these ultrathin metasurfaces can be tailored by changing the shape and size of the meta-atoms. One of the fundamental mechanisms leading to generation of hot-electrons in such systems is optical absorption, therefore, optimization of absorption is a key step in enhancing the performance of any metasurface based hot-electron device. Here we utilized an artificial intelligence-based approach, the genetic algorithm, to optimize absorption spectra of plasmonic metasurfaces. Using genetic algorithm optimization strategies, we designed a polarization insensitive plasmonic metasurface with 90% absorption at 1550 nm that does not require an optically thick ground plane. We fabricated and optically characterized the metasurface and our experimental results agree with simulations. Finally, we present a convolutional neural network that can predict the absorption spectra of metasurfaces never seen by the network, thereby eliminating the need for computationally expensive simulations. Our results suggest a new direction for optimizing hot-electron based photodetectors and sensors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Machine learning for nonintrusive model order reduction of the parametric inviscid transonic flow past an airfoil

Fluid flow in the transonic regime finds relevance in aerospace engineering, particularly in the design of commercial air transportation vehicles. Computational fluid dynamics models of transonic flow for aerospace applications are computationally expensive to solve because of the high degrees of freedom as well as the coupled nature of the conservation laws. While these issues pose a bottleneck for the use of such models in aerospace design, computational costs can be significantly minimized by constructing special, structure-preserving surrogate models called reduced-order models. In this work, we propose a machine learning method to construct reduced-order models via deep neural networks and we demonstrate its ability to preserve accuracy with a significantly lower computational cost. In addition, our machine learning methodology is physics-informed and constrained through the utilization of an interpretable encoding by way of proper orthogonal decomposition. Application to the inviscid transonic flow past the RAE2822 airfoil under varying freestream Mach numbers and angles of attack, as well as airfoil shape parameters with a deforming mesh, shows that the proposed approach adapts to high-dimensional parameter variation well. Notably, the proposed framework precludes the knowledge of numerical operators utilized in the data generation phase, thereby demonstrating its potential utility in the fast exploration of design space for diverse engineering applications. Comparison against a projection-based nonintrusive model order reduction method demonstrates that the proposed approach produces comparable accuracy and yet is orders of magnitude computationally cheap to evaluate, despite being agnostic to the physics of the problem.

97 MATHEMATICS AND COMPUTING↗

Reduced-order modeling for efficient cross section library development in high-temperature gas reactor pebble-bed depletion analysis

Accurate modeling of running-in and equilibrium conditions in pebble-bed reactors (PBRs) requires precise microscopic multigroup neutron cross sections. In Griffin, deterministic neutronics calculations rely on multivariate interpolation over large cross section libraries, resulting in significant memory usage and performance bottlenecks. This work, together with a companion paper on Griffin integration, explores reduced-order models (ROMs) to replace interpolation with lightweight surrogates. Several ROM techniques are benchmarked, with deep neural networks (DNNs) demonstrating superior memory efficiency, scalability, and predictive accuracy. A total of 295 DNNs were trained to build a comprehensive isotope library, integrated into Griffin through a custom LibTorch interface for depletion analysis. Initial results demonstrate that DNN-based ROMs drastically reduce memory demands while preserving accuracy, enabling finer tabulations and additional state variables without overhead. In conclusion, the framework also supports online cross section generation and real-time DNN updates through transfer learning, improving fidelity by capturing self-shielding and evolving nuclide compositions during burnup.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Creation and testing of an artificial neural network based carbonate detector for Mars rovers

We have developed an artificial neural network (ANN) based carbonate detector capable of running on current and future rover hardware. The detector can identify calcite in visible/NIR (350-2500 nm) spectra of both laboratory specimens covered by ferric dust and rocks in Mars analogue field environments. The ANN was trained using the Backpropagation algorithm with sigmoid activation neurons. For the training dataset, we chose nine carbonate and eight non-carbonate representative mineral spectra from the USGS spectral library. Using these spectra as seeds, we generated 10,000 variants with up to 2% Gaussian noise in each reflectance measurement. We cross-validated several ANN architectures, training on 9,900 spectra and testing on the remaining 100. The best performing ANN correctly detected, with perfect accuracy, the presence (or absence) of carbonate in spectral data taken on field samples from the Mojave desert and clean, pure marbles from CT. Sensitivity experiments with JSC Mars-1 simulant dust suggest the carbonate detector would perform well in aeolian Martian environments.

neural networks↗

A hybrid numerical and machine learning framework for evaluating the performance of a 780 cm 2 aqueous organic redox flow battery

Aqueous organic redox flow battery (AORFB) is a promising cost-competitive technology for large-scale energy storage. Among existing work, the dihydroxyphenazine (DHP)-based AORFB has demonstrated high energy density and low capacity degradation in 10 cm2 cells during lab tests. However, its commercial-scale performance in more complex environments remains unknown, posing a barrier for commercialization. To address this gap, this work presents a comprehensive performance evaluation of a 780 cm 2 DHP-based AORFB by combining physics-based numerical model, machine learning (ML)-based surrogate models, and ML-derived sensitivity quantification. Specifically, we first select 12 key battery parameters that include 10 physicochemical quantities and 2 operation quantities, then select 6 performance metrics that include energy efficiency (EE), discharging capacity, charging energy, and power losses due to concentration, activation, and ohmic over-potentials. With such selection, 12800 combinations of the 12 parameters are subsequently generated using the Latin Hypercube Sampling method. These combinations, together with 38 pre-defined State of Charge, are then integrated to a validated AORFB model developed in COMSOL to compute the performance metrics. With both input parameters and performance metrics, 60 deep neural network (DNN) surrogate models are then trained to approximate the relationship between the 10 physicochemical quantities and 6 performance metrics at each flow rate and current density. Sensitivity scores are then calculated based on the DNN models. Two additional sensitivity analysis tools, i.e., MARS, and SHAP, are also used to cross-validate the sensitivity scores from the DNN. The results demonstrate that 1) the standard potential ranks the first in controlling EE and charging energy, 2) the membrane conductivity is most critical for power loss and EE, and 3) specific area and reaction rate control activation power loss.

25 ENERGY STORAGE↗

Computational scanning tunneling microscope image database

We introduce the systematic database of scanning tunneling microscope (STM) images obtained using density functional theory (DFT) for two-dimensional (2D) materials, calculated using the Tersoff-Hamann method. It currently contains data for 716 exfoliable 2D materials. Examples of the five possible Bravais lattice types for 2D materials and their Fourier-transforms are discussed. All the computational STM images generated in this work are made available on the JARVIS-STM website ( https://jarvis.nist.gov/jarvisstm ). We find excellent qualitative agreement between the computational and experimental STM images for selected materials. As a first example application of this database, we train a convolution neural network model to identify the Bravais lattice from the STM images. We believe the model can aid high-throughput experimental data analysis. These computational STM images can directly aid the identification of phases, analyzing defects and lattice-distortions in experimental STM images, as well as be incorporated in the autonomous experiment workflows.

47 OTHER INSTRUMENTATION↗

Encoding Frequency Constraints in Preventive Unit Commitment Using Deep Learning With Region-of-Interest Active Sampling

With the increasing penetration of renewable energy, frequency response and its security are of significant concerns for reliable power system operations. Frequency-constrained unit commitment (FCUC) is proposed to address this challenge. Despite existing efforts in modeling frequency characteristics in unit commitment (UC), current strategies can only handle oversimplified low-order frequency response models and do not consider wide-range operating conditions. This paper presents a generic data-driven framework for FCUC under high renewable penetration. Here, deep neural networks (DNNs) are trained to predict the frequency response using real data or high-fidelity simulation data. Next, the DNN is reformulated as a set of mixed-integer linear constraints to be incorporated into the ordinary UC formulation. In the data generation phase, all possible power injections are considered, and a region-of-interest active sampling is proposed to include power injection samples with frequency nadirs closer to the UFLC threshold, which enhances the accuracy of frequency constraints in FCUC. The proposed FCUC is investigated on the IEEE 39-bus system. Then, a full-order dynamic model simulation using PSS/E verifies the effectiveness of FCUC in frequency-secure generator commitments.

42 ENGINEERING↗

Evaluating large scale aqueous organic redox flow battery performance with a hybrid numerical and machine learning framework

Aqueous organic redox flow battery (AORFB) is a promising cost-competitive technology for large-scale energy storage. Among existing work, the dihydroxyphenazine (DHP)-based AORFB has demonstrated high energy density and low-capacity degradation in 10 cm$^2$ cells during lab tests. However, its commercial-scale performance in more complex environments remains unknown, posing a barrier to commercialization. To address this gap, this work presents a comprehensive performance evaluation of a 780 cm$^2$ DHP-based AORFB by combining a physics-based numerical model, machine learning (ML)-based surrogate models, and ML-derived sensitivity quantification. Specifically, we first select 12 key battery parameters that include 10 physicochemical and 2 operation quantities, then select 6 performance metrics that include energy efficiency (EE), discharging capacity, charging energy, and power losses due to concentration, activation, and ohmic over-potentials. With such selection, 12800 combinations of the 12 parameters are subsequently generated using the Latin Hypercube Sampling method. Such combinations, together with 38 pre-defined State of Charge, are then integrated to a validated AORFB model developed in COMSOL to compute the performance metrics. With both input parameters and performance metrics, 60 deep neural network (DNN) surrogate models are then trained to approximate the relationship between the 10 physicochemical quantities and 6 performance metrics at each flow rate and current density. Sensitivity scores are then calculated based on the DNN models. Two additional sensitivity analysis tools, i.e., MARS, and SHAP, are also used to cross-validate the sensitivity scores from the DNN. The results demonstrate that 1) the standard potential ranks first in controlling EE and charging energy, 2) the membrane conductivity is most critical for power loss and EE, and 3) specific area and reaction rate control activation power loss.

25 ENERGY STORAGE↗

Physics-Informed Neural Network (PINN) Prediction of Mixed Mass-Heat-Crystallization Limited Methane Hydrate Formation and Dissociation in Micro-Confinement

The creation and use of Physics-Informed Neural Networks (PINNs) for simulating the dynamics of methane hydrate formation and dissociation will be presented. The PINN framework's main benefit is its capacity to impose physical consistency with only a partial comprehension of the governing equations. This makes the algorithm especially useful for systems with little experimental evidence or a lack of theoretical knowledge. A strong basis for forecasting methane hydrate behavior over the verified operating ranges of 30.0-80.9 bar pressure and 1.0-4.0 K sub-cooling conditions is provided by the combination of conductive heat transfer equations and mixed mass-transfer–crystallization kinetics. PINNs were more accurate at predicting the mixed mass-heat-crystallization limited kinetics than conventional Artificial Neural Networks (ANNs), demonstrating remarkable predictive accuracy for methane hydrate production over the ANN model. The efficiency of incorporating physical limitations from first principles into machine learning frameworks for methane hydrate crystallizations is reinforced by these findings. For hydrate-related applications in energy generation, carbon sequestration, and climate modelling, our study establishes PINNs as a computational tool that is both scalable and efficient. The proven capacity to close the gap between conventional physics-based simulations and solely data-driven models creates new opportunities for expedited hydrate research and practical applications.

Hartman, Ryan L [NYU Tandon School of Engineering]↗

Temporal Interpolation of Geostationary Satellite Imagery with Task Specific Optical Flow

Applications of satellite data in areas such as weather tracking and modeling, ecosystem monitoring, wildfire detection, and land-cover change are heavily dependent on the trade-offs to spatial, spectral and temporal resolutions of observations. In weather tracking, high-frequency temporal observations are critical and used to improve forecasts, study severe events, and extract atmospheric motion, among others. However, while the current generation of geostationary satellites have hemispheric coverage at 10-15 minute intervals, higher temporal frequency observations are ideal for studying mesoscale severe weather events. In this work, we apply a task specific optical flow approach to temporal up-sampling using deep convolutional neural networks. We apply this technique to 16-bands of GOES-R/Advanced Baseline Imager mesoscale dataset to temporally enhance full disk hemispheric snapshots of different spatial resolutions from 15 minutes to 1 minute. Experiments show the effectiveness of task specific optical flow and multi-scale blocks for interpolating high-frequency severe weather events relative to bilinear and global optical flow baselines. Lastly, we demonstrate strong performance in capturing variability during convective precipitation events.

Optical flow, temporal interpolation, geostationar↗

Atmospheric Infrared Sounder Version 7 Near-Real-Time Product and Imagery Released by NASA GES DISC

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) has been the home of data processing, archive, and distribution services for data from the Atmospheric Infrared Sounder (AIRS) mission since its launch in 2002. The GES DISC provides service to both AIRS routine and Near Real-Time (NRT) products. The AIRS NRT products are an important element in the Land, Atmosphere Near real-time Capability for EOS (LANCE). In collaboration with AIRS Project, the GES DISC has just released products from the Version 7 algorithm. The new version algorithm provides significant improvements over the previous version. The most substantial advances are: improved consistency between day and night water vapor; improved total column ozone and temperature; improved infrared-only (IR-only) retrievals, especially in high latitude regions; an improved Stochastic Cloud Clearing Neural Network used as a first guess at the initial value in the iterative retrieval process; and removal of ambiguity in surface classification in the IR-only retrieval algorithm. In addition, the GES DISC produces AIRS NRT imagery. The AIRS NRT imagery are generated by mosaicking and mapping the available AIRS 6-minute retrieval granules to a global projection. The images are constantly refreshed when new granules are produced. The AIRS NRT Viewer and LANCE Worldview provide visualization services to online users for AIRS NRT imagery. The data products used to generate this imagery include atmospheric temperature, humidity, precipitation, cloud, Dust Score, CO, and SO2. In this presentation, we will demonstrate visualization of the AIRS NRT imagery from the new Version 7, and demonstrate some improvements over the previous version. Progress on improving the AIRS NRT imagery, a collaboration project with the AIRS Applications Development Team at NASA Jet Propulsion Laboratory (JPL), will also be presented.

Feng Ding↗