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At least 343 records · Page 19

Differentiable modeling and optimization of non-aqueous Li-based battery electrolyte solutions using geometric deep learning

Electrolytes play a critical role in designing next-generation battery systems, by allowing efficient ion transfer, preventing charge transfer, and stabilizing electrode-electrolyte interfaces. In this work, we develop a differentiable geometric deep learning (GDL) model for chemical mixtures, DiffMix, which is applied in guiding robotic experimentation and optimization towards fast charging battery electrolytes. In particular, we extend mixture thermodynamic and transport laws by creating GDL-learnable physical coefficients. We evaluate our model with mixture thermodynamics and ion transport properties, where we show improved prediction accuracy and model robustness of Diff-Mix than its purely data-driven variants. Furthermore, with a robotic experimentation setup, Clio, we improve ionic conductivity of electrolytes by over 18.8% within 10 experimental steps, via differentiable optimization built on DiffMix gradients. By combining GDL, mixture physics laws, and robotic experimentation, DiffMix expands the predictive modeling methods for chemical mixtures and enables efficient optimization in large chemical spaces.

25 - ENERGY STORAGE↗

Artificial intelligence time series forecasting for feed-forward laser stabilization

Laser plasma accelerators, typically operating at 1–10 Hz repetition rates, have the ability to produce high-quality electron beams in compact, all-optical-driven configurations, with the electron beams uniquely suited for a wide variety of accelerator-based applications. However, fluctuations and drifts in the laser delivery to the meter-scaled and below plasma target (the electron beam source) will translate into electron beam source variations that can limit their utility for demanding applications like light sources or linear colliders. Commercially available active feedback laser stabilization systems are intrinsically bandwidth limited due to their integration with multi-inch corrective mirror mounts which minimizes their effectiveness. In this manuscript, we present a Neural Network time series forecaster that can predict laser position fluctuations of the laser delivery to the final target well ahead of a future laser shot. The Root-Mean-Square-Error (RMSE) of the prediction accuracy was < 2 μ m for a 1 / e 2 beam radius of 34 μ m . Our feed-forward approach serves as a first-step in circumventing the bandwidth limitations imposed by the currently available stabilization systems since it allows for mirrors to be moved into position ahead of time to offset the predicted future position drift. This will help advance laser plasma accelerator research by providing greater robustness and stability needed for its applications.

Berger, Curtis↗

The Theory and Practice of Estimating the Accuracy of Dynamic Flight-Determined Coefficients

Means of assessing the accuracy of maximum likelihood parameter estimates obtained from dynamic flight data are discussed. The most commonly used analytical predictors of accuracy are derived and compared from both statistical and simplified geometrics standpoints. The accuracy predictions are evaluated with real and simulated data, with an emphasis on practical considerations, such as modeling error. Improved computations of the Cramer-Rao bound to correct large discrepancies due to colored noise and modeling error are presented. The corrected Cramer-Rao bound is shown to be the best available analytical predictor of accuracy, and several practical examples of the use of the Cramer-Rao bound are given. Engineering judgement, aided by such analytical tools, is the final arbiter of accuracy estimation.

Maine, R. E.↗

Measurement of Charged Particle Interactions in Spacecraft and Planetary Habitat Shielding Materials

The Microgravity Materials Program, through its 98-HEDS-04 Research Announcement, has called for research to support 'enhanced human radiation protection through the development of light weight soft goods with high radiation protection characteristics.' Given the nature of the particle flux from the Galactic Cosmic Radiation (GCR), and the many constraints on the depth and type of shielding in spacecraft and planetary habitats, it is clear that the health risks these particles present to astronauts in deep space cannot be entirely eliminated. It is the objective of this project to develop a highly accurate model of GCR transport so that NASA can develop and validate the properties of protective shielding materials with the best available information. The validity of the GCR transport model depends in large part on having accurate and precise input data in the form of the charge-changing and fragment production cross sections for the heavy ions of greatest biological significance. The accuracy of the transport model can be evaluated and enhanced by employing the following a three-step strategy: (1) New cross section data will be made available to the NASA-Langley scientists responsible for the transport codes, and will be used as inputs to the codes; (2) The codes will be used to predict additional cross sections and/or details of the radiation field behind realistic shielding arrangements, where the materials and configurations may be quite complex. Mock-ups of the shielding configurations suitable for use in accelerator experiments will obtained by the NASA-Langley co-investigators; and (3) The transport model predictions will be tested in accelerator-based experiments. The time scale for one pass through these steps is well-suited to a four-year schedule. Over a longer term, these steps may be repeated, leading to still further refinements of the transport code, new predictions, and an additional round of measurements, until the desired predictive accuracy is achieved. The focus of this work is primarily on the first of these steps, the determination of fragmentation cross sections, which will be the main task in years one and two. The detailed strategy for carrying out the remainder of the program is more difficult to specify, as it depends on unpredictable factors such as the extent to which the transport model must be modified, schedules for accelerator time, target fabrication, etc.

Zeitlin, C.↗

Research Relative to High Spatial Resolution Passive Microwave Sounding Systems

Methods to obtain high resolution passive microwave weather observations, and understanding of their probable impact on numerical weather prediction accuracy were investigated. The development of synthetic aperture concepts for geosynchronous passive microwave sounders were studied. The effects of clouds, precipitation, surface phenomena, and atmospheric thermal fine structure on a scale of several kilometers were examined. High resolution passive microwave sounders (e.g., AMSU) with an increased number of channels will produce initialization data for numerical weather prediction (NWP) models with both increased spatial resolution and coverage. The development of statistical models for error growth in high resolution primitive equation NWP models which permit the consequences of various observing system alternatives, including sensors and assimilation times and procedures is discussed. A high resolution three dimensional primitive equation NWP model to determine parameters in an error growth model similar to that formulated by Lorenz, but with more degrees of freedom is utilized.

Staelin, D. H.↗

Template Matching Approach to Signal Prediction

A new approach to signal prediction and prognostic assessment of spacecraft health resolves an inherent difficulty in fusing sensor data with simulated data. This technique builds upon previous work that demonstrated the importance of physics-based transient models to accurate prediction of signal dynamics and system performance. While models can greatly improve predictive accuracy, they are difficult to apply in general because of variations in model type, accuracy, or intended purpose. However, virtually any flight project will have at least some modeling capability at its disposal, whether a full-blown simulation, partial physics models, dynamic look-up tables, a brassboard analogue system, or simple hand-driven calculation by a team of experts. Many models can be used to develop a predict, or an estimate of the next day s or next cycle s behavior, which is typically used for planning purposes. The fidelity of a predict varies from one project to another, depending on the complexity of the simulation (i.e. linearized or full differential equations) and the level of detail in anticipated system operation, but typically any predict cannot be adapted to changing conditions or adjusted spacecraft command execution. Applying a predict blindly, without adapting the predict to current conditions, produces mixed results at best, primarily due to mismatches between assumed execution of spacecraft activities and actual times of execution. This results in the predict becoming useless during periods of complicated behavior, exactly when the predict would be most valuable. Each spacecraft operation tends to show up as a transient in the data, and if the transients are misaligned, using the predict can actually harm forecasting performance. To address this problem, the approach here expresses the predict in terms of a baseline function superposed with one or more transient functions. These transients serve as signal templates, which can be relocated in time and space against the signal background. One then has the ability to reconstruct a signal regardless of the precise timing of the transients. During operation, one applies the actual start times of spacecraft activities as they occur, and produces a reconstructed, accurate predict in real-time. This general approach is valid under two important conditions. First, the transients themselves must be time-invariant. Second, the transients must be reasonably consistent with respect to different operating points. Both of these assumptions are generally valid, but in the case of a complicated system with numerous types of overlapping transients, this approach may not be effective. Fortunately, there tend to be few transients in spacecraft telemetry of sensor quantities or low-level health and status information because these signals rarely reflect multiple different types of operation. Furthermore, if the predict is at least reasonably close to actual operation, the shift either in time, or in the operating point when the transient occurs - is likely to be small. The proposed approach considers three ways to recognize a transient. The first and most reliable is to use a different signal that identifies operating mode - often the transient will be correlated to a change in operating mode, and this change can usually be detected positively from discrete signals in spacecraft telemetry. If there is no useful mode signal, the second option is to identify the transient template by hand, and detect the onset of the transient using a curve-fitting approach. Finally, if one elects not to choose by hand, there is an option for automatic selection. This technique has been applied to sensor data from several JPL missions and industrial applications, demonstrating an improvement in accurate prediction of future behavior and early detection of system problems. This technique is applicable to practically any time-varying, quantitative sensor measurement.

Mackey, Ryan↗

Predicting the evolution of biomass bulk density through feedstock preprocessing: Discrete element modeling, regression analysis, and pilot-scale validation

Bulk density is an important material property of biomass feedstocks, influencing handling, storage, transport costs, and conversion efficiency. In this study, predictive regression models for loose and tapped bulk densities of Alamo and Cave-in-Rock switchgrass are developed using a comprehensive dataset generated via calibrated bonded-sphere discrete element method (DEM) simulations. Here, a key contribution of this study is the use of a DEM-based approach, which correlates density with moisture content and particle size distribution parameters and enables analysis across a continuous particle size range, overcoming limitations of purely experimental data. For comparison, regression models are also developed using only experimental data from pilot-scale runs at the Biomass Feedstock National User Facility at Idaho National Laboratory. Validation against pilot-scale data showed reasonable prediction accuracy for both model types, particularly for smaller particle sizes (post-secondary grinding). While the experimental model showed slightly better performance matching the validation data in some cases, the DEM-based model benefits from a much larger dataset, reduced predictor multicollinearity, and continuous parameter coverage, highlighting the utility of validated simulation models for developing robust predictive tools for biomass preprocessing applications.

09 - BIOMASS FUELS↗

Comparison of Taxi Time Prediction Performance Using Different Taxi Speed Decision Trees

In the STBO modeler and tactical surface scheduler for ATD-2 project, taxi speed decision trees are used to calculate the unimpeded taxi times of flights taxiing on the airport surface. The initial taxi speed values in these decision trees did not show good prediction accuracy of taxi times. Using the more recent, reliable surveillance data, new taxi speed values in ramp area and movement area were computed. Before integrating these values into the STBO system, we performed test runs using live data from Charlotte airport, with different taxi speed settings: 1) initial taxi speed values and 2) new ones. Taxi time prediction performance was evaluated by comparing various metrics. The results show that the new taxi speed decision trees can calculate the unimpeded taxi-out times more accurately.

taxi time prediction↗

Machine learning-based microstructure prediction during laser sintering of alumina

Abstract Predicting material’s microstructure under new processing conditions is essential in advanced manufacturing and materials science. This is because the material’s microstructure hugely influences the material’s properties. We demonstrate an elegant machine learning algorithm that faithfully predicts the microstructure under new conditions, without the need of knowing the governing laws. We name this algorithm, RCWGAN-GP, which is regression-based conditional generative adversarial networks with Wasserstein loss function and gradient penalty. This algorithm was trained with experimental SEM micrographs from laser-sintered alumina under various laser powers. The RCWGAN-GP realistically regenerates the SEM micrographs under the trained laser powers. Impressively, it also faithfully predicts the alumina’s microstructure under unexplored laser powers. The predicted microstructure features, including the morphology of the sintered particles and the pores, match the experimental SEM micrographs very well. We further quantitatively examined the prediction accuracy of the RCWGAN-GP. We trained the algorithm with computer-created micrograph datasets of secondary-phase growth governed by the well-known Johnson–Mehl–Avrami (JMA) equation. The RCWGAN-GP accurately regenerates the micrographs at the trained time series, in terms of the grains’ shapes, sizes, and spatial distributions. More importantly, the predicted secondary phase fraction accurately follows the JMA curve.

08 HYDROGEN↗

Test and Simulation of a Fokker F28 Crash Landing

Test and Simulation of a Fokker F28 Crash Landing – Jacob B. Putnam 1, Justin D. Littell 1, Karen E. Jackson 2; 1 NASA Langley Research Center, Hampton, VA, 2 National Institute of Aerospace, Hampton, VA. In June of 2019, the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) conducted a full-scale crash test of a Fokker F28 MK1000 aircraft. Aircraft crash-worthiness is typically evaluated through component level tests (i.e. vertical drops of fuselage subsections or isolated seat tests). Finite Element Models (FEMs) are also used to bridge the gap between component testing and full-scale crash prediction. The full-scale crash test performed in conjunction with previous subsection testing of a Fokker F28 fuselage provided the opportunity to evaluate differences in crash-worthiness predictions between full- and sub-scale testing and to quantify the predictive capability of FEMs in the aerospace crash environment. In this study vehicle crash-worthiness was quantified through anthropometric test devices (ATDs) included in both the full-scale crash test as well as fuselage section drop tests previously performed at NASA LaRC. A FEM of the Fokker F28 aircraft was developed and simulated within the tested environment. Vehicle and ATD response predictions were compared between test and simulation. The International Organization for Standardization ISO/TR 16250 curve comparison methodology was used to provide a quantitative assessment of predictive accuracy for both the vehicle and ATD FEMs. Determination of aircraft crash-worthiness made between the three evaluations methodologies (full-vehicle crash test, component test, and FEM simulation) were then compared. Structural differences as well as the more complex loading environment achieved within the full-vehicle test resulted in increased injury risk compared to that predicted within the component level tests. The FEM simulations were found to produce a more realistic prediction of injury risk within the full-vehicle crash environment than the component level testing. Limitations of both component testing and FEM simulation within aerospace crash environment were identified.

impact testing↗

Contribution of Doppler and interferometric tracking during the Magellan approach to Venus

On May 4, 1989, the Magellan spacecraft began its 463 day and 1.3 billion km earth to Venus interplanetary cruise. Magellan's Venus approach trajectory required prediction accuracy of 6.1 seconds in arrival time and 126 km in the position of closest approach to achieve a desired Venus orbit. Data collection from Magellan's SAR required an elliptical orbit with an inclination between 84 deg and 86 deg to the Venus equator, a period between 3.1 and 3.3 hours, a periapsis altitude within 275 km and 325 km and a latitude of periapsis between 0 deg and 10 deg North. Predictions of Magellan's arrival time and closest approach to Venus were derived from cruise trajectories determined exclusively from coherent two-way Doppler using both S-band (2.3 GHz) uplink/downlink and X-band (8.4 GHz) uplink/downlink and X-band spacecraft-quasar interferometric delay data. Analysis of data reduction strategies employing various data arc lengths and data combinations shows that interferometric tracking data, used in conjunction with Doppler, improved trajectory solution accuracy and robustness.

Graat, E. J.↗

Traffic safety analysis and model updating for freeways using Bayesian method

Freeway crash prediction models are the basic of traffic safety research, yet crash occurrence and the influencing factors change over time. In order to make sure the implemented safety models fit the current traffic environment, this study conducts a comparative analysis of 2017 and 2020 datasets collected from freeways in Suzhou, China. Herein, considering the spatial correlation among analysis units and the hierarchical data structure, a Bayesian conditional autoregressive negative binomial (CAR-NB) model and a Bayesian hierarchical CAR-NB (HCAR-NB) model were used to explore the safety influencing factors, and a traditional NB model was developed for further comparison. To update the HCAR-NB model from 2017 to 2020, Bayesian inference with informative priors was used to improve its goodness of fit and efficiency. Preliminary results showed that 1) the HCAR-NB model outperformed the NB model and CAR-NB model in prediction accuracy, and 2) the number of crashes was significantly correlated with average speed, speed variance, road segment length, number of lanes, and presence of ramps. The potential for safety improvement (PSI) method was applied to the modeling results to identify hotspots for the two years. The results confirmed that the hotspots spatiotemporally shifted among the freeways. The proposed crash prediction model and updating method are expected to assist implementation of informed countermeasures for freeway safety improvement.

97 MATHEMATICS AND COMPUTING↗

Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression

We introduce a novel machine learning strategy, kernel addition Gaussian process regression (KA-GPR), in molecular-orbital-based machine learning (MOB-ML) to learn the total correlation energies of general electronic structure theories for closed- and open-shell systems by introducing a machine learning strategy. The learning efficiency of MOB-ML(KA-GPR) is the same as the original MOB-ML method for the smallest criegee molecule, which is a closed-shell molecule with multi-reference characters. In addition, the prediction accuracies of different small free radicals could reach the chemical accuracy of 1 kcal/mol by training on one example structure. Accurate potential energy surfaces for the H10 chain (closed-shell) and water OH bond dissociation (open-shell) could also be generated by MOB-ML(KA-GPR). To explore the breadth of chemical systems that KA-GPR can describe, we further apply MOB-ML to accurately predict the large benchmark datasets for closed- (QM9, QM7b-T, and GDB-13-T) and open-shell (QMSpin) molecules.

Chemistry↗

Orbit determination support for Hiten's aerobraking in the Earth's atmosphere

Two passes of the ISAS (Japan's Institute of Space and Astronautical Science) Hiten spacecraft through the Earth's atmosphere, at perigee altitudes of 125 km and 120 km, during Mar. 1991 marked the first aerobraking technology demonstrations for an object in cis-lunar orbit traveling at near Earth escape velocity. Prediction and control of perigee altitude to better than 1 km was desired to assure spacecraft survival. Covariance analysis provided confidence that prediction accuracy better than 200 m for support of final trim maneuver design was achievable with NASA DSN (Deep Space Network) tracking support. ISAS used orbit determination results in their decisions to cancel final trim maneuvers. Post flight reconstructions, marking the first combined use of DSN and ISAS tracking data, yielded perigee altitude solutions which agree with the near real time mission operations support predictions to better than 50 m.

Efron, L.↗

Resolution requirements for a soil moisture imaging radar

Image simulation techniques were employed to establish the relationship between spatial resolution and the accuracy of soil moisture estimated by an imaging radar. A spaceborne synthetic aperture radar at an orbital altitude of 600 km, operating at 4.5 GHz with HH polarization configuration and covering a ground swath width of 143 km corresponding to an angle of incidence range extending between 7-22 degrees relative to the vertical, provided the images simulated by a 17.7 km x 19.3 km test site. The role of resolution was evaluated by simulating various sets of images with resolutions ranging from 20 m x 20 m to 1 km x 1 km. Each simulated image was subjected to a soil moisture prediction algorithm whose input is limited to the image intensity level. Results show that the 1 km x 1 km resolution provides the best prediction accuracy for most soil moisture distributions except for drought-like conditions for which the 100 m x 100 m resolution is found to be preferred. In general it was found that the soil moisture of about 90% of the pixels is predicted with an error of + or - 20% of field capacity or less.

Dobson, C.↗

Modeling Key Predictors of Airport Runway Configurations Using Learning Algorithms

Advanced traffic flow management automation will need accurate predictions of airport runway configurations. Terminal area weather and traffic demand are generally considered to be the most significant factors in predicting runway configuration. Weather information is forecasted across multiple features, including wind direction, wind speed, gusts, cloud ceilings, visibility, temperature, and precipitation, among many others. We use machine learning techniques on historical weather and runway data to determine weather features that correlate well with runway configurations. We analyze the predictive capability of weather features using different learning models trained on data from four major U.S. airports: Atlanta (ATL), Washington – Dulles (IAD), New York – Kennedy (JFK), and San Francisco (SFO). Wind direction alone is strongly correlated with runway configurations above all other examined factors, as expected. This correlation is the most significant component of the ~80% prediction accuracy in selecting between the two most frequently used runway configurations. However, individual airports show variations on how well the runway configuration decisions correlate with wind direction. While wind direction was identified as the most significant indicator of configuration decisions in ATL, IAD, and JFK, it did not emerge as such at SFO. Traffic demand was not found to be a strong factor in predicting runway configurations at any of the airports analyzed. In rare instances, when high demand cannot be accommodated within the current configuration, temporary changes are likely to be attributable to demand. However, these occurrences are so limited in number that their overall effect is not sufficient to consider traffic demand as a major indicator of runway configuration at the airports analyzed.

Bilimoria, Karl D.↗

Concept of Operations for Management by Trajectory

This document describes Management by Trajectory (MBT), a concept for future air traffic management (ATM) in which every flight operates in accordance with a four-dimensional trajectory (4DT) that is negotiated between the airspace user and the Federal Aviation Administration (FAA) to respect the airspace user's goals while complying with National Airspace System (NAS) constraints. In the present-day NAS, the ATM system attempts to predict the trajectory for each flight based on the approved flight plan and scheduled or controlled departure time. However, once the aircraft starts to move, controllers tactically manage the aircraft to implement traffic management restrictions, separate otherwise conflicting aircraft, and address arising NAS constraints. Tactical controller actions are not directly communicated to the automation systems or other stakeholders. Furthermore, the initial trajectory prediction does not anticipate these disruptions or how they will impact the flight. Consequently, and compounded by gaps in required data and models, trajectory predictions are less accurate than possible, which affects Traffic Flow Management (TFM) performance. A cornerstone of the MBT concept is that all air vehicles have, at all times, an assigned 4DT from their current state to their destination. These assigned trajectories consist of trajectory constraints and descriptions. Pilots and air traffic controllers, with the aid of automation, operate the aircraft to comply with the assigned trajectory, unless first negotiating a revision. Equipped aircraft have substantial responsibility for complying with the assigned trajectory without controller intervention. To maximize the operational flexibility available to the airspace user, the assigned trajectory only imposes trajectory constraints as required to achieve the ATM goals of NAS constraint compliance and aircraft separation. Trajectory descriptions are added to the assigned trajectory to ensure sufficient predictability. To further improve trajectory prediction accuracy, airspace users supplement the assigned trajectory by broadcasting intent information and updating it as necessary. Air vehicle intent is a more detailed description of the airspace user's plan for how the flight will fly the assigned trajectory. Air vehicle intent can change freely, without negotiation, as long as it remains in compliance with the assigned trajectory. Aircraft assigned trajectories, air vehicle intent, and predicted trajectories are shared, creating a common view among stakeholders. A NAS Constraint Service gathers and publishes information about all known NAS constraints, enabling airspace users to be informed participants in trajectory negotiation. Trajectory constraints in the assigned trajectory are mapped to NAS constraints to facilitate identifying which aircraft are affected when NAS constraints change. To support efficient trajectory negotiation, all aircraft provide current information about air vehicle capabilities. Assigned trajectories are constructed to satisfy all known NAS constraints, improving trajectory stability and predictability. Uncertainty and disruptions are handled by modifying the assigned trajectory as far in advance as possible. By proactively negotiating changes to the assigned trajectory, rather than relying on controller-selected tactical actions such as vectors to resolve traffic conflicts or implement miles-in-trail restrictions, MBT keeps aircraft on closed trajectories that are fully known to all stakeholders. Since reactive air traffic control actions cannot be predicted in advance, the downstream trajectory cannot be accurately predicted until they happen. Reliable trajectory predictions allow the system to identify needed modifications to trajectories further in advance, where they can be negotiated and communicated as amendments (i.e., additional or altered trajectory constraints) to the assigned trajectory. Decision Support Tools (DSTs) aid controllers in rapidly defining and communicating closed trajectories to the aircraft and support all stakeholders in trajectory negotiation. Anticipated MBT benefit mechanisms include more accurate trajectory predictions, improved ATM performance and robustness to off-nominal conditions, increased flexibility and operational efficiency, reduced impediments to emerging classes of airspace users accessing NAS resources, reduced environmental impacts, and enhanced safety.

ConOps↗

Development of the Surface Management System Integrated with CTAS Arrival Tools

The Surface Management System (SMS) developed by NASA Ames Research Center in coordination with the Federal Aviation Administration (FAA) is a decision support tool to help tower traffic coordinators and Ground/Local controllers in managing and controlling airport surface traffic in order to increase capacity, efficiency, and flexibility. SMS provides common situation awareness to personnel at various air traffic control facilities such as airport traffic control towers (ATCT s), airline ramp towers, Terminal Radar Approach Control (TRACON), and Air Route Traffic Control Center (ARTCC). SMS also provides a traffic management tool to assist ATCT traffic management coordinators (TMCs) in making decisions such as airport configuration and runway load balancing. The Build 1 of the SMS tool was installed and successfully tested at Memphis International Airport (MEM) and received high acceptance scores from ATCT controllers and coordinators, as well as airline ramp controllers. NASA Ames Research Center continues to develop SMS under NASA s Strategic Airspace Usage (SAU) project in order to improve its prediction accuracy and robustness under various modeling uncertainties. This paper reports the recent development effort performed by the NASA Ames Research Center: 1) integration of Center TRACON Automation System (CTAS) capability with SMS and 2) an alternative approach to obtain airline gate information through a publicly available website. The preliminary analysis results performed on the air/surface traffic data at the DFW airport have shown significant improvement in predicting airport arrival demand and IN time at the gate. This paper concludes with recommendations for future research and development.

Jung, Yoon C.↗