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Combustion energy frontier research center (CEFRC) final report (August 1, 2009 – July 31, 2016)

The Combustion Energy Frontier Research Center (CEFRC) was established to tackle the single overarching grand challenge of energy sustainability, energy security and global warming: to develop a “validated, predictive, multi-scale, combustion modeling capability to optimize the design and operation of evolving fuels in advanced engines for transportation applications,” as identified in the DOE report on “Basic Energy Needs for Clean and Efficient Combustion of 21st Century Transportation Fuels”. The challenge is particularly daunting since energy conversion efficiencies and exhaust emissions are governed by coupled chemical and transport processes at multiple length scales ranging from electron excitation to molecular rearrangements to nanoscale particulate formation to turbulent fuel/air mixing. To tackle this challenge, the CEFRC assembled a world-class team of 15 principal investigators, with the objectives to: 1) develop and test theoretical models to predict elementary reaction rates, molecule thermalization rates, chemical bond dissociation energies, and nonequilibrium transport properties using quantum chemistry calculations that account for strong electron correlation and multiple electronic potential energy surfaces; 2) develop automated kinetic mechanism generation, reduction, and error control methods for predicting alternative fuel including biofuel oxidation, fuel droplet decomposition, and NOx and particulate formation; 3) validate and improve the predictions of these models by measuring ignition delay times, species profiles, flame structures, burning limits, turbulence-kinetic coupling, and NOx and soot emissions at high-pressures and near-limit conditions, by using advanced experimental diagnostic techniques including multiple laser techniques, molecular beam sampling and synchrotron photoionization, and by conducting the measurements in high-pressure shock tubes, jet-stirred and flow reactors, flame bombs, counterflow flames, and advanced-design rapid compression ignition instruments; and 4) develop a suite of validated petascale high-fidelity simulation and modeling capabilities to understand and predict chemistry-turbulence-radiation coupling for new fuels in new regimes, including the high pressure, low-temperature combustion in advanced engine and turbine designs, and 5) establish a knowledge highway between researchers and engineers in academia, national laboratories, and industry to facilitate the dissemination and exchange of knowledge on national and international levels, and enrich the talent pool and capabilities of the next generation of combustion scientists and engineers. The technical activities of the CEFRC were conducted through three Disciplinary Working Groups – Chemistry Theory, Experiment and Mechanism, and Reacting Flows, which coordinated the Center’s research on the development of combustion chemistry of Foundation Fuels (C0–C4 hydrocarbons), Alcohols, and Biodiesel through three corresponding Mechanism Thrust Groups. Such a two-dimensional coordinated and tightly interwoven research structure has been proven to be highly effective in assuring the interplay between the developments of the fundamentals of combustion science and the utilization of the various categories of fuels. The Center has accomplished the above goals over the five year period (August 1, 2009 – July 31, 2014) with appropriated funding, followed by two additional no-cost-extension (NCE) years. The research results are documented in 230 journal publications, with six legacy review papers on the study of combustion chemistry using shock tubes, flow reactors, rapid compression machines, and flames, on uncertainty quantification, and on theoretical reaction dynamics and chemical modeling of combustion. A robust outreach program complemented these PI-led research activities, consisting of: 1) a roving post-doc program comprised of a corps of Center-appointed, co- or multi-sponsored post-doctoral fellows with rotating assignments to conduct seed projects initiated by at least two PIs, in residence with these sponsoring PIs, to rapidly pursue new and high-risk, high-payoff interdisciplinary ideas; 2) an annual summer school on combustion heavily attended (~200) by senior graduate students and practicing researchers covering advanced topics on chemical kinetics, fluid mechanics, turbulent combustion, engine combustion, new technologies, etc.; 3) a robust open web-site providing Center and community information as well as the lecture videos and notes of the summer school; and 4) widely distributed biannual newsletters.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Post-fire soil emissions of nitric oxide (NO) and nitrous oxide (N 2 O) across global ecosystems: a review

Wildfires may increase soil emissions of trace nitrogen (N) gases like nitric oxide (NO) and nitrous oxide (N 2 O) by changing soil physicochemical conditions and altering microbial processes like nitrification and denitrification. When 34 studies were synthesized, we found a significant increase in both NO and N 2 O emissions up to 1 year post-fire across studies spanning ecosystems globally. However, when fluxes were separated by ecosystem type, we found that individual ecosystem types responded uniquely to fire. Forest soils tended to emit more N 2 O after fire, but there was no significant effect on NO. Shrubland soils showed significant increases in both NO and N 2 O emissions after fires; often with extremely large but short-lived NO pulses occurring immediately after fire. Grassland NO emissions increased after fire, but the size of this effect was small relative to shrublands. N 2 O emissions from burned grasslands were highly variable with no significant effect. To better understand the variation in responses to fire across global ecosystems, more consistent measurements of variables recognized as important controls on soil fluxes of NO and N 2 O (e.g., N cycling rates, soil water content, pH, and substrate availability) are needed across studies. We also suggest that fire-specific elements like burn severity, microbial community succession, and the presence of char be considered by future studies. Our synthesis suggests that fires can exacerbate ecosystem N loss long after they burn, increasing soil emissions of NO and N 2 O with implications for ecosystem N loss, climate, and regional air quality as wildfires increase globally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Projections of wildfire risk and activities under 1.5 °C and 2.0 °C global warming scenarios

Wildfires are important ecosystem processes that have a significant impact on terrestrial vegetation, environment, and climate. This study investigates how future wildfire risk and activities could change under 1.5 °C and 2.0 °C warming scenarios relative to pre-industrial levels using a modified McArthur Forest Fire Danger Index (FFDIn) and the CLM4.5-BGC land surface model. Sixteen Earth System Models (ESMs) from CMIP5 and CMIP6 were employed to supply the variables of climate change under low, middle, and high greenhouse emission scenarios in the 1.5 °C and 2.0 °C scenarios. The ensemble means from the FFDIn and results from the CLM4.5-BGC with multiple forcings show that the dry areas in the southwestern US, Brazilian Highlands, and Arabian islands are projected to face higher wildfire risk with larger burned areas and more carbon emissions under a warmer climate. The Congo Basin and part of the Amazon could have a lower wildfire risk with smaller burned areas and less carbon emissions. The absolute changes in the projected FFDIn are small, although large increases are observed in boreal areas, particularly in the winter and spring. Burned area and carbon emissions are projected to increase in general in the boreal area but decrease in northeastern Asia. Compared to the 1.5 °C scenario, the wildfire risk and burned area levels are projected to increase under the 2.0 °C scenario except in the western Amazon. However, fire carbon emissions are projected to decrease more in tropical areas under the 2.0 °C scenario. The different change directions in eastern North America and eastern China produced by the FFDIn and CLM4.5-BGC suggest the potential effect of non-meteorological elements on fire activities.

1.5 °C and 2.0 °C warming↗

Wildfire management decisions outweigh mechanical treatment as the keystone to forest landscape adaptation

Modern land management faces unprecedented uncertainty regarding future climates, novel disturbance regimes, and unanticipated ecological feedbacks. Mitigating this uncertainty requires a cohesive landscape management strategy that utilizes multiple methods to optimize benefits while hedging risks amidst uncertain futures. We used a process-based landscape simulation model (LANDIS-II) to forecast forest management, growth, climate effects, and future wildfire dynamics, and we distilled results using a decision support tool allowing us to examine tradeoffs between alternative management strategies. We developed plausible future management scenarios based on factorial combinations of restoration-oriented thinning prescriptions, prescribed fire, and wildland fire use. Results were assessed continuously for a 100-year simulation period, which provided a unique assessment of tradeoffs and benefits among seven primary topics representing social, ecological, and economic aspects of resilience. Projected climatic changes had a substantial impact on modeled wildfire activity. In the Wildfire Only scenario (no treatments, but including active wildfire and climate change), we observed an upwards inflection point in area burned around mid-century (2060) that had detrimental impacts on total landscape carbon storage. While simulated mechanical treatments (~ 3% area per year) reduced the incidence of high-severity fire, it did not eliminate this inflection completely. Scenarios involving wildland fire use resulted in greater reductions in high-severity fire and a more linear trend in cumulative area burned. Mechanical treatments were beneficial for subtopics under the economic topic given their positive financial return on investment, while wildland fire use scenarios were better for ecological subtopics, primarily due to a greater reduction in high-severity fire. Benefits among the social subtopics were mixed, reflecting the inevitability of tradeoffs in landscapes that we rely on for diverse and countervailing ecosystem services. This study provides evidence that optimal future scenarios will involve a mix of active and passive management strategies, allowing different management tactics to coexist within and among ownerships classes. Our results also emphasize the importance of wildfire management decisions as central to building more robust and resilient future landscapes.

54 ENVIRONMENTAL SCIENCES↗

Techno-economic Analysis of the Cryogenic Flux Capacitor Compared to Other forms of Hydrogen Production and Storage

The Cryogenic Flux Capacitor (CFC) is a cold, dense energy storage core that is being studied in the cryo-compressed, about 300 bar and 80K, region of gaseous hydrogen (GH2) storage and liquid hydrogen (LH2) region near the normal boiling point. The hydrogens storage is improved by physically bonding the molecules within the nanoscale pores of the aerogel composite blanket material. The process of bonding or debonding is governed by principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (~1,000 m2/g) allows its storage performance to easily exceed capacities of high-pressure GH2 storage for an equivalent volume. With the integrated aerogel, subscale tests have shown that storage is increased by about 49% over a simple tank filled with GH2 at the same operating temperature and pressure. For LH2 conditions, the CFC is shown to operate at equivalent densities. For the techno-economic analysis (TEA), the source of hydrogen is compared between onsite steam methane reforming (SMR) and onsite solar photovoltaic (PV) panels providing power to electrolyzers to produce GH2. The TEA compares pure hydrogen burning in a combined cycle gas turbine (CCGT) to hydrogen fuel cells with an overall net power output of 650 MW. The SMR system uses natural gas as an input and includes a carbon capture and storage (CCS) system. The levelized cost of electricity is developed based on the capital cost and operating cost of the systems. Sensitivities are discussed around the cost of natural gas, ranging from 1.93 USD per MMBTU to 6.75 USD per MMBTU, and carbon dioxide disposal, ranging from 7 USD per tonne to 10 USD per tonne. For comparison to the conventional CCGT baseline, a baseload scenario is adopted with 85% capacity factor. The results of the study show that onsite hydrogen generation from SMR is about 1 to 3 USD per kg over the life of the plant and the PV hydrogen production produces at 4 to 5 USD per kg. The cost of storage for CFC is compared to other systems, including high-pressure GH2 and atmospheric LH2. The system is shown to provide the lowest costs for all these options at the grid scale, due to its higher capacity than high-pressure GH2 and ability to operate at 80K, receiving refrigeration from liquid nitrogen systems reducing capital and operating costs when compared LH2 storage systems. SMR is competitive with CCGT at the gas prices, both of which have lower LCOE than the PV system. When accounting for variability in gas prices, the PV and electrolyzer system is less sensitive to these changes and provides the lowest LCOE across the whole range.

08 HYDROGEN↗

Using CESM-RESFire to understand climate–fire–ecosystem interactions and the implications for decadal climate variability

Large wildfires exert strong disturbance on regional and global climate systems and ecosystems by perturbing radiative forcing as well as the carbon and water balance between the atmosphere and land surface, while short- and long-term variations in fire weather, terrestrial ecosystems, and human activity modulate fire intensity and reshape fire regimes. The complex climate–fire–ecosystem interactions were not fully integrated in previous climate model studies, and the resulting effects on the projections of future climate change are not well understood. Here we use the fully interactive REgion-Specific ecosystem feedback Fire model (RESFire) that was developed in the Community Earth System Model (CESM) to investigate these interactions and their impacts on climate systems and fire activity. We designed two sets of decadal simulations using CESM-RESFire for present-day (2001–2010) and future (2051–2060) scenarios, respectively, and conducted a series of sensitivity experiments to assess the effects of individual feedback pathways among climate, fire, and ecosystems. Our implementation of RESFire, which includes online land–atmosphere coupling of fire emissions and fire-induced land cover change (LCC), reproduces the observed aerosol optical depth (AOD) from space-based Moderate Resolution Imaging Spectroradiometer (MODIS) satellite products and ground-based AErosol RObotic NETwork (AERONET) data; it agrees well with carbon budget benchmarks from previous studies. We estimate the global averaged net radiative effect of both fire aerosols and fire-induced LCC at –0.59±0.52 W m –2 , which is dominated by fire aerosol–cloud interactions (–0.82±0.19 W m –2 ), in the present-day scenario under climatological conditions of the 2000s. The fire-related net cooling effect increases by ~170 % to –1.60±0.27 W m –2 in the 2050s under the conditions of the Representative Concentration Pathway 4.5 (RCP4.5) scenario. Such considerably enhanced radiative effect is attributed to the largely increased global burned area (+19 %) and fire carbon emissions (+100 %) from the 2000s to the 2050s driven by climate change. The net ecosystem exchange (NEE) of carbon between the land and atmosphere components in the simulations increases by 33 % accordingly, implying that biomass burning is an increasing carbon source at short-term timescales in the future. High-latitude regions with prevalent peatlands would be more vulnerable to increased fire threats due to climate change, and the increase in fire aerosols could counter the projected decrease in anthropogenic aerosols due to air pollution control policies in many regions. We also evaluate two distinct feedback mechanisms that are associated with fire aerosols and fire-induced LCC, respectively. On a global scale, the first mechanism imposes positive feedbacks to fire activity through enhanced droughts with suppressed precipitation by fire aerosol–cloud interactions, while the second one manifests as negative feedbacks due to reduced fuel loads by fire consumption and post-fire tree mortality and recovery processes. These two feedback pathways with opposite effects compete at regional to global scales and increase the complexity of climate–fire–ecosystem interactions and their climatic impacts.

54 ENVIRONMENTAL SCIENCES↗

Past obliquity oscillations of Mars - The role of the Tharsis uplift

The paper deals with possible ancient variations of the obliquity of Mars. Consideration of data on internal differentiation, Tharsis uplift and crustal phenomena, mantle convection, and eigenfrequencies and mean motion suggest that (1) differentiation with core formation decreased the primeval spin precession constant (alpha) by 4-5%, driving it through resonance with the j = 2 orbital term; (2) a combination of geophysical processes caused alpha to drift back and forth through resonance with the j = 2 orbital term during part of Mars' history; (3) this situation was turned off by the Tharsis uplift, which drove alpha away from j = 2 resonance and possibly through the j = 26 resonance. The consequences of such events for the planet's obliquity are analyzed. Various types of motions are calculated, demonstrating the sensitivity of the obliquity to passage through resonance with such minor orbital terms.

Ward, W. R.↗

Pair production rates in mildly relativistic, magnetized plasmas

Electron-positron pairs may be produced by either one or two photons in the presence of a strong magnetic field. In magnetized plasmas with temperatures kT approximately sq mc, both of these processes may be important and could be competitive. The rates of one-photon and two-photon pair production by photons with Maxwellian, thermal bremsstrahlung, thermal synchrotron and power law spectra are calculated as a function of temperature or power law index and field strength. This allows a comparison of the two rates and a determination of the conditions under which each process may be a significant source of pairs in astrophysical plasmas. It is found that for photon densities n(gamma) or = 10 to the 25th power/cu cm and magnetic field strengths B or = 10 to the 12th power G, one-photon pair production dominates at kT approximately sq mc for a Maxwellian, at kT approximately 2 sq mc for a thermal bremsstrahlung spectrum, at all temperatures for a thermal synchrotron spectrum, and for power law spectra with indices s approximately 4.

Burns, M. L.↗

Pair production rates in mildly relativistic magnetized plasmas

Electron-positron pairs may be produced by either one or two photons in the presence of a strong magnetic field. In magnetized plasmas with temperatures kT approximately sq mc, both of these processes may be important and could be competitive. The rates of one-photon and two-photon pair production by photons with Maxwellian, thermal bremsstrahlung, thermal synchrotron and power law spectra are calculated as a function of temperature or power law index and field strength. This allows a comparison of the two rates and a determination of the conditions under which each process may be a significant source of pairs in astrophysical plasmas. It is found that for photon densities n(gamma) or = 10 to the 25th power/cu cm and magnetic field strengths B or = 10 to the 12th power G, one-photon pair production dominates at kT approximately sq mc for a Maxwellian, at kT approximately 2 sq mc for a thermal bremsstrahlung spectrum, at all temperatures for a thermal synchrotron spectrum, and for power law spectra with indices s approximately 4.

Burns, M. L.↗

Airborne Measurements of NO, NO2, and NO(y) as Related to NASA's Pacific Exploratory Mission

The Tropospheric Trace Gas and Airborne Measurements Group's (TTGAMG) efforts on NASA GTE (Global Tropospheric Experiment) PEM (Pacific Exploratory Mission) West A & B field campaign primarily involved the acquisition of NO, NO2 and NO(y) measurements, as well as the subsequent analysis and interpretation of the data base obtained during the PEM West field campaign. These investigations focused on the distribution of trace gases, sources and sinks of ozone, ozone producing precursors with a heavy emphasize on ozone's photochemical state, and the partitioning of the molecules within the NO(y) family over the north western Pacific Ocean. The two components of PEM West were focused on observing air masses as they reached the Asian Continent (PEM West A) or as the air mass departed the Asian Continent (PEM West B). NO(x) concentrations play a pivotal role in controlling the photochemical lifetime of ozone in these environments, and understanding the NO(x) species partitioning is paramount. The transport of NO(x) into the regions, in the form of longer lived NO(y) family members, was examined in relation to the comparison of natural occurring sources of NO(x) (i.e., lightning and stratosphere/troposphere exchange) to those produced as a result of anthropogenic activity (i.e., biomass burning and aircraft emissions). The TTGAMG's measurements of NOx and NO(y), in conjunction with other investigators' measurements of PAN (H. B. Singh's group) and HNO3 (R. W. Talbot's group), have been used to assess the total reactive odd nitrogen levels over the study regions, the partitioning of the reactive odd nitrogen species in their various forms, and the usefulness of the NO, measurement and its measurement technique. The TTGAMG's primary PEM West objectives were the characterization of the factors controlling the distribution and fate of reactive odd nitrogen compounds over the western Pacific Ocean and an analysis of the concentration of various trace gases in the troposphere as the air mass aged by both dynamical mixing and photochemical processes in the troposphere.

Sandholm, Scott↗

Operational Improvements From the In-Trail Procedure in the North Atlantic Organized Track System

This paper explains the computerized batch processing experiment examining the operational impacts of the introduction of Automatic Dependent Surveillance-Broadcast (ADS-B) equipment and the In-Trail Procedure (ITP) to the North Atlantic Organized Track System (NATOTS). This experiment was conducted using the Traffic Manager (TMX), a desktop simulation capable of simulating airspace environments and aircraft operations. ADS-B equipment can enable the use of new ground and airborne procedures, such as the ITP. The ITP is among the first of these new procedures, which will make use of improved situation awareness in the local surrounding airspace of ADS-B equipped aircraft to enable more efficient oceanic flight level changes. The data collected were analyzed with respect to multiple operationally relevant parameters including fuel burn, request approval rates, and the distribution of fuel savings. This experiment showed that through the use of ADS-B or ADS-B and the ITP that operational improvements and benefits could be achieved.

Chartrand, Ryan C.↗

Excessive Subsidence of the Southeast Atlantic Biomass Burning Aerosol Plume in the NASA Goddard Earth Observing System (GEOS) Model

Global models struggle to accurately represent the meteorological environment over the Southeast Atlantic Ocean, as evidenced by the poor representation of persistent marine stratocumulus decks off the west coast of southern Africa. This complex regime also experiences significant seasonal biomass burning aerosol plumes that are transported from southern Africa over the Atlantic Ocean, which gradually descend via large scale subsidence and interact radiatively and microphysically with the cloudy environment of the region. In comparisons to space borne lidar and aircraft observations we find that the NASA Goddard Earth Observing System (GEOS) model’s MERRA-2 aerosol and meteorology reanalysis shows that the aerosol plume descends too rapidly due to exaggerated large-scale downward vertical motion. This complicates the evaluation of aerosol properties utilizing aircraft observations collected throughout the ORACLES campaign as well as the model’s representation of the heating rate profiles due to the aerosol itself and its radiative interaction with the semi-permanent cloud deck typically located lower in altitude than the smoke. Two types of modeling experiments using GEOS will be presented to diagnose deficiencies in the model related to the excessive subsidence. Ensembles of free-running model simulations with and without radiatively active biomass burning aerosol will be used to quantify the impact of smoke on the atmospheric circulation. It will be demonstrated that heating within the aerosol layer results in self lofting through a reduction of the subsidence but did not alter the vertical placement or speed of the African Easterly jet. The amount of aerosol absorption required to eliminate the bias in the height of the aerosol plume through self-lofting will then be quantified. Finally, a second type of modeling experiment will be discussed in which the meteorology is constrained to observations. This will allow for biases in the height of the aerosol plume due to the general circulation model to be distinguished from biases that may be induced through the data assimilation process.

Allison Collow↗

Relating microstructure, temperature, and chemistry to explosive ignition and shock sensitivity

An analysis is put forth that relates explosive properties including microstructure, temperature, and chemistry to explosive ignition and sensitivity. Unlike approaches that focus only on elucidating mesoscopic mechanisms important to ignition, the present analysis seeks a methodology directly applicable to continuum explosive burn models. Because the Scaled Uniform Reactive Front (SURF) burn model has a microstructural basis, it is chosen as the starting point of the present analysis. To build upon the SURF framework, a literal translation is performed of the high-level conceptual notions for which SURF is based, to concrete ignition–combustion parameters, a statistical description of the microstructure, and other thermo-chemical data acquired by non-shock experiments. The analysis requires a void volume fraction distribution acquired from ultra-small angle neutron scattering (USANS). The shock response of PBX 9502 is used to illustrate the theory. While the analysis requires calibration to a shock experiment (the pop plot, for example), the results are a self-consistent set of realistic physical quantities that contribute to the shock initiation process including, initial temperature, chemical kinetics, a statistical description of the microstructure, and the hot spot size, spacing, and temperature. The utility of having a mesoscale based theory is that once the critical hot spot temperature, as a function of shock pressure, is known for a given explosive and initial porosity distribution, the entire set of meso- and macro-scale results, including the pop plot can be calculated for any other porosity. Thus, one can understand changes in sensitivity at different densities (void size distributions), relying only on the assumption that the hot spot temperature curve would not differ significantly if the morphology of the hots spots were similar. Another important utility of the present analysis is to address the question of the role of initial temperature on the observed shock sensitivity of PBX 9502 and other explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Zinc aluminate (ZnAl 2 O 4 ) refractory aggregates: Dilatometric sintering studies and thermal expansion coefficient

ZnAl 2 O 4 has recently been reported to enhance thermomechanical properties and slag corrosion resistance of refractory castables. The pore generation and deleterious expansion during in situ ZnAl 2 O 4 formation can limit their amount in a refractory composition. A comprehensive dilatometric study is presented, identifying the optimum raw materials and processing conditions. Preformed ZnAl 2 O 4 refractory aggregates were synthesized from industrial ZnO and reactive Al 2 O 3 by two-stage firing at 1050 °C and 1700 °C resulting in 0% open porosity. The ZnAl 2 O 4 powder calcined at 1050 °C is also a good refractory matrix material as it has better sinterability than preformed refractory-grade MgAl 2 O 4 and calcined alumina. The thermal expansion coefficient of ZnAl 2 O 4 aggregate in the range of 70–1600 °C was found to be 10.7 × 10 –6 K –1 , which is similar to tabular Al 2 O 3 (10.3 × 10 –6 K –1 ) and MgAl 2 O 4 (10.3 × 10 –6 K –1 ), but lower than dead burned MgO (16.4 × 10 –6 K –1 ), creating the possibility of developing thermal shock resistant refractories by utilizing this mismatch.

36 MATERIALS SCIENCE↗

Simulated performance of biomass gasification based combined power and refrigeration plant for community scale application

Thermal performance analysis and sizing of a biomass gasification based combined power and refrigeration plant (CPR) is reported in this study. The plant is capable of producing 100 kWe of electrical output while simultaneously producing a refrigeration effect, varying from 28-68 ton of refrigeration (TR). The topping gas turbine cycle is an indirectly heated all-air cycle. A combustor heat exchanger duplex (CHX) unit burns producer gas and transfer heat to air. This arrangement avoids complex gas cleaning requirements for the biomass-derived producer gas. The exhaust air of the topping GT is utilized to run a bottoming ammonia absorption refrigeration (AAR) cycle via a heat recovery steam generator (HRSG), steam produced in the HRSG supplying heat to the generator of the refrigeration cycle. Effects of major operating parameters like topping cycle pressure ratio (r{sub p}) and turbine inlet temperature (TIT) on the energetic performance of the plant are studied. Energetic performance of the plant is evaluated via energy efficiency, required biomass consumption and fuel energy savings ratio (FESR). The FESR calculation method is significant for indicating the savings in fuel of a combined power and process heat plant instead of separate plants for power and process heat. The study reveals that, topping cycle attains maximum power efficiency of 30%in pressure ratio range of 8-10. Up to a certain value of pressure ratio the required air flow rate through the GT unit decreases with increase in pressure ratio and then increases with further increase in pressure ratio. The capacity of refrigeration of the AAR unit initially decreases up to a certain value of topping GT cycle pressure ratio and then increases with further increase in pressure ratio. The FESR is found to be maximized at a pressure ratio of 9 (when TIT=1100°C), the maximum value being 53%. The FESR is higher for higher TIT. The heat exchanger sizing is also influenced by the topping cycle pressure ratio and GT-TIT.

09 BIOMASS FUELS↗

Comparison of machine learning systems trained to detect Alfvén eigenmodes using the CO 2 interferometer on DIII-D

Abstract A Machine-Learning (ML) based detection scheme that automatically detects Alfvén Eigenmodes (AE) in a labelled DIII-D database is presented here. Controlling AEs is important for the success of planned burning plasma devices such as ITER, since resonant fast ions can drive AEs unstable and degrade the performance of the plasma or damage the first walls of the machine vessel. Artificial Intelligence could be useful for real-time detection and control of AEs in steady-state plasma scenarios by implementing ML-based models into control algorithms that drive actuators for mitigation of AE impacts. Thus, the objective is to compare differences in performance between using two different recurrent neural network systems (Reservoir Computing Network and Long Short Term Memory Network) and two different representations of the C O 2 phase data (simple and crosspower spectrograms). All C O 2 interferometer chords are used to train both models, but only one is processed during each training step. The results from the model and data comparison show higher performance for the RCN model (True Positive Rate = 90% and False Positive Rate = 14%), and that using simple magnitude spectrograms is sufficient to detect AEs. Also, the vertical C O 2 interferometer chord passing near the center is better for ML-based detection of AEs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ammonia Generation over TWC for Passive SCR NOX Control for Lean Gasoline Engines

A commercial three-way catalyst (TWC) was evaluated for ammonia (NH3) generation on a 2.0-liter BMW lean burn gasoline direct injection engine as a component in a passive ammonia selective catalytic reduction (SCR) system. The passive NH3 SCR system is a potential low cost approach for controlling nitrogen oxides (NOX) emissions from lean burn gasoline engines. In this system, NH3 is generated over a close-coupled TWC during periodic slightly rich engine operation and subsequently stored on an underfloor SCR catalyst. Upon switching to lean, NOX passes through the TWC and is reduced by the stored NH3 on the SCR catalyst. NH3 generation was evaluated at different air-fuel equivalence ratios at multiple engine speed and load conditions. Near complete conversion of NOX to NH3 was achieved at =0.96 for nearly all conditions studied. At the =0.96 condition, HC emissions were relatively minimal, but CO emissions were significant. Operation at AFRs richer than =0.96 did not provide more NH3 yield and led to higher HC and CO emissions. Results of the reductant conversion and consumption processes were used to calculate a representative fuel consumption of the engine operating with an ideal passive SCR system. The results show a 1-7% fuel economy benefit at various steady-state engine speed and load points relative to a stoichiometric engine operation.

Prikhodko, Vitaly Y↗

A Machine Learning Approach to Improve Air Traffic Management Initiatives

Collaborating closely with commercial air carriers and related organizations, the Federal Aviation Administration(FAA) regulates air traffic and ensures the safety and efficiency of air operations. Air traffic controllers make strategic decisions, such as delaying, rerouting, or canceling flights, partly based on guidance provided by the FAA’s Air TrafficControl System Command Center (ATCSCC). The guidance includes, among other things, control measures known asTraffic Management Initiatives (TMIs) designed to enhance safety and improve operational efficiency. TMIs play a crucial role in managing the demand and capacity within the U.S. National Airspace System (NAS). Two major TMIs that are routinely used (primarily to mitigate the adverse effects of bad weather) are Ground Delay Programs (GDPs) andGround Stops (GSs). In a GDP, flights destined for airports facing thunderstorm activity experience delays at their origin airports. This proactive approach minimizes the risk of routing aircraft through hazardous weather conditions and also replaces (fuel burning) airborne delays with ground delays. In a GS, a temporary restriction is imposed on the departure or arrival of aircraft at a specific airport or within a designated airspace. Although other TMIs (e.g., miles-in-trail) are also implemented as part of (air) traffic flow management in the NAS, the focus of this work is on GDPs and GSs. Since TMIs, by design, lead to flight delays or cancellations, it is crucial to put in place the right set of parameters(e.g., scope and duration of the GDP). For example, when the end time of a GDP extends beyond what is necessary, it imposes unnecessary delays on departing flights. This situation could occur as a result of inaccurate prediction of the(required) duration of the GDP based on the weather forecast. On the other hand, if a GDP ends prematurely before the underlying capacity constraints are resolved at the destination airport, it may result in airborne holding. The delicate balance lies in matching the termination of the GDP precisely with the resolution of capacity constraints, avoiding both the imposition of unnecessary ground delays and the need for airborne holding due to premature program termination.Failing to specify the right parameters for TMIs also leads to flight delays, creating a significant obstacle in managing the increasing traffic volumes causing increased work load for the controllers. To address this issue, we propose the integration of Machine Learning (ML) models in the traffic flow management(TFM) pipeline. In current operations, decisions are made by human experts based on extensive training, historical patterns, available traffic and weather data. Since we have an abundance of data from past events that tell us the likely impact of various TMIs, by ingesting historical data, properly trained ML models can offer valuable insights and aid human decision-making. With the FAA increasingly exploring advanced analytics, ML emerges as a focal point for enhancing TFM within the National Airspace System (NAS). As a first step, this study aims to provide traffic controllers with decision-making support for the issuance and adjustment of TMIs. Data analytics and machine learning have been previously employed to address some of the challenges associated with TMIs. Numerous studies have concentrated on various facets of TMI issuance, exploring factors influencing TMI parameters, including arrival rate, airport capacity, and delay prediction. For example, using weather forecasts, several statistical methods were used to produce probabilistic capacity profiles which in conjunction with deterministic models provided insights into the GDP planning process [1–4]. The downside of using deterministic models is that they rely on fixed inputs and predetermined rules, which lack the ability to account for the inherent uncertainty and variability present in real-world scenarios. In a separate series of studies, researchers aimed to predict the occurrences of GDPs and GSs. The majority of these studies utilized various supervised learning methods, including Decision Trees, Naive Bayes, Support VectorMachines, and Random Forests to analyze the influence of weather conditions and arrival demand on TMI incidents[5–8]. However, these studies primarily focused on predicting the incidence of TMIs without explicitly addressing the scope of TMIs, including their duration and their geographical coverage. Furthermore, the emphasis of these studies was largely on GDPs, given their higher frequency and longer duration when compared to GSs. A limited number of studies focused on predicting the parameters of TMIs, specifically addressing their duration and extent. In one such study focusing on optimizing the TMI parameters at San Francisco International Airport (SFO),the authors utilized a probabilistic forecast of fog [9]. They simulated various capacity scenarios based on the (fog)burn-off forecasts, selecting GDP parameters that minimized airborne and overall ground delays. However, this approach exclusively emphasizes stratus (fog) burn-off as the primary determinant of GDP and GS, neglecting other influential factors like severe weather events, runway closures, lower capacity than traffic demand, and other important variables. Given the complexity of predicting the TMI and determining its scope, we seek a more holistic approach. We aim to consider all significant factors that could impact TMIs and their parameters. What sets this research apart is the fusion of all data sources relevant to the issuance and adjustment of TMIs and it represents the first comprehensive attempt to optimize TMIs in this manner. Since this comprehensive solution involves various aspects, we break down the problem into smaller components and input all parameters into a unified model called the “TMI Adjuster”. Figure 1 shows the overall framework and the list of datasets used in each model. The objective of the TMI Adjuster module is to deliver reliable, consistent and expedited recommendations for the progression, adjustment, and termination of TMIs. The ML solution entails developing a pipeline capable of predicting the necessity of a TMI (e.g., GS or GDP) along with its various parameters. For example, in the case of a GS, this includes the scope of the GS either in terms of distance from the destination airport or based on pre-defined airspace sectors. Here, scope refers to those regions and departing airports that are subject to the GS. In this paper, we concentrate on the issuance of GSs in the three major airports in the New York area — LaGuardia(LGA), John F. Kennedy International (JFK), and Newark Liberty International (EWR). We fuse traffic, weather and other relevant aviation data from years 2017 to 2019 to train and validate the ML models. In particular, we use the following datasets: •Terminal Aerodrome Forecast (TAF): meteorological forecasts specific to each airport, issued four times a day, covering predefined time periods. •TMI data: includes all GSs and GDPs along with their respective parameters. •Aviation System Performance Metrics (ASPM): includes traffic related data such as aircraft delays, arrival, and departure rates. •Notices to Airmen (NOTAMs): utilized to extract runway closure data and manage interdependencies between terminals in close proximity. •Flight cancellation data •Airspace Flow Programs (AFP): includes information on flight airborne holdings caused by TMIs. The data preprocessing entails transforming ASPM, TMI, AFP, NOTAMs, and weather data into an hourly format and consolidating all datasets by merging them based on date and time as the primary key. The TMI Adjuster framework comprises two parallel models: one dedicated to GS and a second model focused on GDP. As previously mentioned, our specific focus is on the GS model as a multi-classification problem. In this framework, each data point of the GS model input summarizes ten hours of data. Specifically, the data loader for the GS model generates the input and output of the model as follows: at a given time step, the input includes the actual traffic, weather, and TMI data from the two-hour window before the time step, alongside the weather forecast and scheduled traffic for the next 8 hours starting from the time step. Based on this information, the output of the GS model for each time interval consists of three dimensions. The first dimension represents a binary decision on whether there should be a GS in place for the next hour or not. The second dimension is related to the scope of the GS in the United States, and the third dimension is related to the scope of the GS in Canada (i.e., to determine if the GS impacts airports in Canada).One of the challenges with TMI modeling is the sparsity of TMI events, particularly regarding its scope. To address this challenge in the scope of the GS model output, we implement grouping. The GS scope for the US region is defined based on a list of centers that should be included when the GS is in place. With 20 centers in the US, we utilized historical data to group them into 4 categories. In particular, we summarized our historical data in a graph format where nodes represent centers, and link weights are defined based on the co-occurrence of centers in the scope parameter ofTMIs. By identified strongly connected components in this graph, we were able to partition the centers into four groups. We consider two model structures for the GS Model. Firstly, a hierarchical classification model [10], where the human decision-making for a GS is of hierarchical nature. The decision-maker first decides whether there is a need fora GS, and if the answer is yes, determines the scope. A hierarchical classification model organizes the problem into a class hierarchy, typically a tree or a Directed Acyclic Graph (DAG) structure, and considers the dependency of the decision in the previous step to the next component [10]. Here, we employ the local classifier per level approach, which involves training one multi-class classifier for each level of the class hierarchy. The second structure is the independent structure. In this setting, as the name suggests, we do not consider the dependency of the decisions in the different dimensions of the output of the model. Instead, for each dimension, we train a multi-class classifier independently. Table 1 summarizes GS model statistics for training, validation and testing. The table documents the effect of limiting data to the time steps when there was actually a TMI in place or when a TMI had just terminated. This resulted in a more balanced distribution of the GS class(GS positive class)versus “No GS”(GS negative class), which might help the training process. While JFK and LGA follow very similar distributions, with 40% and 42% GS positive class respectively, EWR has proportionally fewer GS incidents at 28%. Our subsequent phase involves evaluating the performance of both hierarchical structure and independent structure using different state-of-the-art multi-class classifier models such as Random Forest, Decision Trees, K-nearest Neighbors, and Logistic Regression and forecast the duration and scope of the GSs.

Farzan Masrour Shalmani↗