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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 19 records

Next-Cycle Optimal Fuel Control for Cycle-to-Cycle Variability Reduction in EGR-Diluted Combustion

In this simulation study, cycle-to-cycle fuel control was used to reduce CCV by injecting additional fuel in operating conditions with sporadic misfires and partial burns. An optimal control policy was proposed that utilizes 1) a physics-based model that tracks in-cylinder gas composition and 2) a one-step-ahead prediction of the combustion efficiency based on a kernel density estimator. The optimal solution, however, presents a tradeoff between the reduction in combustion CCV and the increase in fuel injection quantity required to stabilize the charge. Such a tradeoff can be ad- just by a single parameter embedded in the cost function.

Maldonado, BryanP. [Oak Ridge National Lab. (ORNL)↗

Predicting Cycle-to-Cycle Variation With Concurrent Cycles in a Gasoline Direct Injected Engine With Large Eddy Simulations

High cycle-to-cycle variation (CCV) is detrimental to engine performance, as it leads to poor combustion and high noise and vibration. In this work, CCV in a gasoline engine is studied using large eddy simulation (LES). The engine chosen as the basis of this work is a single-cylinder gasoline direct injection (GDI) research engine. Two stoichiometric part-load engine operating points (6 BMEP, 2000 RPM) were evaluated: a non-dilute (0% EGR) case and a dilute (18% EGR) case. The experimental data for both operating conditions had 500 cycles. The measured CCV in IMEP was 1.40% for the non-dilute case and 7.78% for the dilute case. To estimate CCV from simulation, perturbed concurrent cycles of engine simulations were compared to consecutively obtained engine cycles. The motivation behind this is that running consecutive cycles to estimate CCV is quite time-consuming. For example, running 100 consecutive cycles requires 2–3 months (on a typical cluster), however, by running concurrently one can potentially run all 100 cycles at the same time and reduce the overall turnaround time for 100 cycles to the time taken for a single cycle (2 days). The goal of this paper is to statistically determine if concurrent cycles, with a perturbation applied to each individual cycle at the start, can be representative of consecutively obtained cycles and accurately estimate CCV. 100 cycles were run for each case to obtain statistically valid results. The concurrent cycles began at different timings before the combustion event, with the motivation to identify the closest time before spark to minimize the run time. Only a single combustion cycle was run for each concurrent case. The calculated standard deviation of peak pressure and coefficient of variance (COV) of indicated mean effective pressure (IMEP) were compared between the consecutive and concurrent methods to quantify CCV. It was found that the concurrent method could be used to predict CCV with either a velocity or numerical perturbation. Here, a large and small velocity perturbation were compared and both produced correct predictions, implying that the type of perturbation is not important to yield a valid realization. Starting the simulation too close to the combustion event, at intake valve close (IVC) or at spark timing, under-predicted the CCV. When concurrent simulations were initiated during or before the intake even, at start of injection (SOI) or earlier, distinct and valid realizations were obtained to accurately predict CCV for both operating points. By simulating CCV with concurrent cycles, the required wall clock time can be reduced from 2–3 months to 1–2 days. Additionally, the required core-hours can be reduced up to 41%, since only a portion of each cycle needs to be simulated.

42 ENGINEERING↗

A novel triple power cycle featuring a gas turbine cycle with supercritical carbon dioxide and organic Rankine cycles: Thermoeconomic analysis and optimization

In this study, a novel triple power cycle is proposed where waste heat from a gas turbine cycle is utilized to drive a supercritical carbon dioxide (s-CO 2 ) recompression cycle and a recuperative organic Rankine cycle (ORC) in sequence. A detailed thermoeconomic model is developed and implemented in MATLAB to evaluate the performance of the proposed cycle under different operating conditions. Optimization using a particle swarm optimization (PSO) algorithm is performed to minimize the levelized cost of electricity (LCOE) and determine the optimum design conditions of the cycle. The optimization results show that for a 100 MW cycle, the overall thermal efficiency and LCOE are 0.521 and $\$52.819$/MWh, respectively. The turbine inlet temperature of the gas turbine and s-CO 2 cycles are found as the most influential parameters on the thermoeconomic performance of the triple cycle. The proposed triple cycle shows an excellent waste energy recovery potential and superiority over a very thermodynamically efficient cycle from the literature, which included a gas turbine topping cycle and a complex cascade s-CO 2 power cycle used a bottoming cycle. As a result, the proposed triple cycle shows up to 0.9% points higher efficiency while it has fewer heat exchangers and turbomachinery than the cycle from the literature.

30 DIRECT ENERGY CONVERSION↗

Next-Cycle Optimal Dilute Combustion Control via Online Learning of Cycle-to-Cycle Variability Using Kernel Density Estimators

Dilute combustion using exhaust gas recirculation (EGR) presents a cost-effective method for increasing the efficiency of spark-ignition (SI) engines. However, the maximum amount of EGR that can be used at a given condition is limited by a rapid increment of cycle-to-cycle variability (CCV). This study describes a methodology to design a model-based stochastic optimal controller to adjust the cycle-to-cycle fuel injection quantity in order to reduce CCV and further extend the dilute limit. Given the complexity and chaotic nature of combustion events, the controller was enhanced with online learning in order to identify the statistical properties of combustion efficiency, which are needed to generate predictions for next-cycle events. This study showed that a kernel density estimator (KDE) can be used to learn the combustion properties in real time and can be incorporated into the feedback policy in order to calculate the optimal control command. Experimental results suggested that the dilute limit can be extended from 18.5% to 21% EGR fraction at an operating condition relevant for highway cruising. Additionally, the proposed controller can achieve a large CCV reduction with less fuel enrichment compared to previous methods, overall contributing to an increase in 0.2% indicated fuel conversion efficiency.

33 ADVANCED PROPULSION SYSTEMS↗

Cycle-to-cycle variability in spark-assisted compression ignition engines near optimal mean combustion phasing

Stoichiometric spark-assisted compression ignition (SACI) combustion with exhaust gas recirculation (EGR) dilution has demonstrated higher part-load thermal efficiencies compared to spark-ignited engines, while maintaining ultra-low tailpipe emissions. However, SACI is often characterized by high cyclic variability in heat release or torque output, which poses a challenge to its implementation in light-duty vehicles. This paper presents an experimental investigation of cyclic variability in stoichiometric SACI combustion under EGR-dilute conditions, while maintaining mean combustion phasing (θ 50 ) near optimal timing for thermal efficiency. The present work focuses on SACI conditions where the flame-based heat release fraction is between approximately 10% and 40% of the overall heat release, and therefore contributes significantly to the combustion process. For the SACI conditions examined, the variability in θ 50 was driven by variability in autoignition timing, which in turn correlated with the start of measurable heat release (θ 02 ). High variability in θ 50 caused unstable work output due to very late combustion with poor or no end-gas autoignition. The use of a high ignition energy dual-coil offset ignition system had negligible impact in reducing θ 50 variability. Analysis of experimental data from close to 1000 operating conditions showed that the magnitude of θ 50 variability correlates with the flame-based heat release fraction ([Formula: see text]), for a large range of intake pressures, spark timings and exhaust gas recirculation levels. For the SACI conditions examined, combustion phasing variability was largely determined by flame-based combustion and particularly the initial flame formation (θ IGN-02 ), and minimally by the end-gas autoignition heat release. The analysis also demonstrated that θ 50 variability is amplified as the contribution of the flame to the overall heat release increases.

Engineering↗

Predicting Cycle-to-cycle Variations in a Spark-ignition Engine using Multi-cycle Large Eddy Simulation

Multi-cycle large eddy simulation (LES) of a spark-ignition engine has been performed to predict cycle-to-cycle variations (CCV). To describe spark-ignited premixed flame propagation, the front propagation formulation (FPF) method is combined with a laminar-to-turbulent flame transition model that describes the non-equilibrium flame development processes during the initial stage of the kernel growth. In the laminar-to-turbulent flame transition model, the effects of turbulence on the variations in the laminar-to-turbulent flame transition time are modeled based on the Kolmogorov energy cascade. 15 consecutive cycle LES of in-cylinder processes in a spark-ignition four-valve single cylinder engine is conducted. The predicted in-cylinder pressure is compared with the experimental measurements. The range of CCV observed in the experiment is reproduced to an acceptable degree. The predicted CCV is found to be closely related to the difference in the turbu- lence field near the spark plug around the time of spark discharging, which is consistent with the previous LES studies. The current results also suggest the importance of capturing the variations of the laminar-to-turbulent flame transition in predicting CCV.

Su, Yunde↗

Predicting Cycle-to-cycle Variations in a Spark-ignition Engine using Multi-cycle Large Eddy Simulation

Multi-cycle large eddy simulation (LES) of a spark-ignition engine has been performed to predict cycle-to-cycle variations (CCV). To describe spark-ignited premixed flame propagation, the front propagation formulation (FPF) method is combined with a laminar-to-turbulent flame transition model that describes the non-equilibrium flame development processes during the initial stage of the kernel growth. In the laminar-to-turbulent flame transition model, the effects of turbulence on the variations in the laminar-to-turbulent flame transition time are modeled based on the Kolmogorov energy cascade. 15 consecutive cycle LES of in-cylinder processes in a spark-ignition four-valve single cylinder engine is conducted. The predicted in-cylinder pressure is compared with the experimental measurements. The range of CCV observed in the experiment is reproduced to an acceptable degree. The predicted CCV is found to be closely related to the difference in the turbulence field near the spark plug around the time of spark discharging, which is consistent with the previous LES studies. The current results also suggest the importance of capturing the variations of the laminar-to-turbulent flame transition in predicting CCV.

Yu, Yunde↗

Understanding the Origin of the Nonpassivating Behavior of Si-Based Anodes during the Initial Cycles

In this contribution, we combined electrochemical cycling and X-ray photoelectron spectroscopy (XPS) to understand the nonpassivating behavior of the solid electrolyte interphase (SEI) on Si anodes during the first cycles. Based on galvanostatic measurements, we show that the irreversible capacity loss is reduced after the first cycle, and it stays almost constant from the second cycle onwards. XPS was used to determine the root causes of the Coulombic inefficiency, showing that the rate of decomposition of the organic solvents strongly decreased after the first cycle, whereas the rate of salt decomposition is almost unchanged between cycles. We determine that the inhibition of the decomposition reaction of the organic solvent is responsible for the lower Coulombic loss during the second electrochemical cycle in comparison to the first, whereas the nonpassivating behavior toward the salt decomposition is one of the main causes of capacity loss upon cycling. Here, we further revisit the role of cracking in contributing to capacity loss. Whereas high volumetric expansion remains an issue plaguing the performance of Si anodes, our chronoamperometry studies reveal that the SEI formed on Si anodes does not passivate even when the electrode is fully expanded, and no additional surface is exposed. Overall, our work establishes the need to address the chemical and electrochemical instability of the SEI on the Si anode in addition to the more notorious issue of cracking.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Report on Fuel Cycle Facility Requirements for Deployment of Demonstration Reactors and Potential Evolutionary Fuel Cycle Scenarios

A series of fuel cycle scenarios studies were performed to inform on fuel cycle capacities and facilities needed for large-scale deployment of the Advanced Reactor Demonstration Program (ARDP) reactors and potential future evolutionary fuel cycle scenarios. The reactor deployment and evolutionary fuel cycle scenarios from the present to 2100 were developed based on the following assumptions: 1) achievement of a net-zero emissions economy in the United States by 2050, which requires a nuclear energy generation capacity of ~250 GWe by 2050, 2) the U.S. economic growth of 1% per year from 2051 to 2100, which results in ~340 GWe of nuclear energy capacity in 2100, and 3) commercial-scale recycling and high burnup fuel technologies are available after 2050. Thus, evolutionary fuel cycles with those advanced nuclear technologies start after 2050. A single once-through fuel cycle scenario was assumed from the present to 2050 to achieve a net-zero emissions economy in the United States, and the following four evolutionary fuel cycle scenarios from 2051 to 2100 were considered, 1) Once through fuel cycle with ARDP reactors (Natrium and Xe-100), 2) Once-through fuel cycle with Breed-and-Burn (B&B) fast reactors, 3) Recycling fuel cycle of used metallic fuel in fast reactors, and 4) Recycle fuel cycle of both used uranium oxide and metallic fuels in fast reactors. The projected front-end and back-end fuel cycle capacity demands are compared with the current domestic and global (if needed) fuel cycle capacities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Effect of Pressure and Thermal Cycling on Long-Term Oxidation in CO 2 and Supercritical CO 2

Concentrating solar power plant designers are interested in supercritical CO 2 (sCO 2 ) for the power block to achieve > 50% electrical efficiency at > 700 °C. The goal of this project was to develop a long-term (> 100 kh) lifetime model for sCO 2 compatibility using 10–15 kh laboratory exposures. Three Ni-based alloys (625, 282 and 740H) and an advanced austenitic stainless steel were evaluated here in long-term exposures at 700–800 °C using 500-h cycles in laboratory air, 0.1 MPa industrial grade (IG) CO 2 and 30 MPa supercritical IG CO 2 and using 10-h cycles in 0.1 MPa IG CO 2 and O 2 . Mass change data and quantification of the oxide scale thickness and depth of internal attack after 1000–10,000 h exposures at 750 °C indicate that these materials are compatible with the sCO 2 environments with modeling used to predict long-term behavior. Comparison of the 0.1 and 30 MPa 500-h cycle results did not show a significant effect of pressure on the reaction, and no significant internal carburization was observed under these conditions, even for the stainless steel, suggesting that chromia scales may be better C diffusion barriers than expected. For the Ni-based alloys, thermal cycling to simulate the solar duty cycle did not result in scale spallation after 15 kh in 10-h cycles or 4 kh in 1-h cycles at 750 °C. However, the stainless steel specimens formed an Fe-rich oxide after ~ 1500-h cumulative exposure time in both 1- and 10-h cycles.

36 MATERIALS SCIENCE↗

Reactivity of Redox Cycled Fe-bearing Subsurface Sediments Towards Hexavalent Chromium Reduction

Structural Fe(II) in clay minerals and natural sediments is known to reduce Cr(VI) to Cr(III), but the effect of redox-cycled Febearing natural sediments on Cr(VI) reduction kinetics is poorly understood. The objective of this study was to understand the kinetics and mechanisms of Cr(VI) reduction by Fe(II) in redox cycled natural sediment. Fe-bearing sediment was collected from the Ringold formation in the 300 area of Hanford, Washington, United States. Fe redox cycling of the sediment was accomplished via four cycles of bioreduction of structural Fe(III) in Hanford sediment and air oxidation of the resulting Fe(II). Bio-produced Fe(II) in Hanford sediment from each redox cycle was utilized to reduce Cr(VI) at three temperatures (10, 20 and 30° C). The initial rate of Cr(VI) reduction generally increased with each redox cycle, which was more pronounced at high temperatures. The amount of Fe(II) oxidized to the amount of Cr(VI) reduced was close to the expected stoichiometric ratio of 3. Aqueous concentrations of Si, Al, and Fe revealed some dissolution of the sediment after reaction with Cr(VI). Xray diffraction (XRD) and scanning electron microscopy (SEM) detected secondary mineral formation. Mössbauer data showed that the oxidation of Fe(II) was coupled with the reduction of Cr(VI) but no Feoxides/ oxyhydroxides formed. Transmission electron microscopy (TEM), electron energy loss spectroscopy (EELS), XANES, and EXAFS were performed for representative reduced Cr solids that formed from reduction of Cr(VI) by sediment-associated Fe(II) at 30oC. TEM revealed that the d-spacing of Cr-reacted montmorillonite at 30° C, a dominant Fe-bearing mineral in Hanford sediment, expanded from 10 Å to 13 Å. This layer expansion was likely due to intercalation of reduced Cr(III) into the interlayer space of the montmorillonite structure. EELS exhibited an L2 absorption peak at 586.0 eV and an L3 absorption peak at 577.0 eV, suggestive of Cr(III) in a hydroxide mineral phase. Similarly, XANES and EXAFS analyses confirmed Cr(VI) reduction to Cr(OH)3 at 30° C and indicated an edge-sharing coordination of the Cr(III) octahedra to 2-3 other Cr or metal ions. This study has important implications for understanding the reactivity of clay-rich sediment towards Cr(VI) reduction at contaminated sites and the stability of the reduced Cr(III).

Bishop, Michael E.↗

Voltage cycling as a dynamic operation mode for high temperature electrolysis solid oxide cells

Solid Oxide Electrolysis Cells (SOECs) have emerged as a promising technology for the efficient production of H2 via high-temperature electrolysis. However, power input from dynamic energy sources remains a significant challenge for their long-term stability. It is important to analyze the tolerance of cells under dynamic operation conditions. This study focuses on evaluating the impact of voltage cycling on the performance and durability of electrode-supported SOECs. We explore the operational limits and degradation mechanisms of SOECs subjected to various voltage conditions and find that the cells have high tolerance for dynamic voltage. Voltage cycling between 1.3 V and 1.5 V for 9000 cycles does not damage the cell. Conversely, cycling to higher voltages (≥1.7 V) results in accelerated degradation. Advanced characterization is used to screen for various degradation modes post operation. Within the oxygen electrode, XRD and STEM EDS find compositional and phase evolution in all voltage cycled samples including increased decomposition of the air electrode resulting in cation migration. Microstructural analysis of the fuel electrode from nano-CT data shows minimal change throughout the sample set and no evidence of Ni migration, indicating the fuel electrode is stable and not impacted by cycling to higher voltages within the timeframe studied.

Zhu, Zhikuan↗

Performance and Economic Evaluation of sCO2 Bottoming Cycles for Natural Gas Combined Cycle Plants with Capture

Natural gas combined cycles (NGCCs) with carbon capture are expected to play a significant role in decarbonization of the power generation sector. NGCC plants generally use triple pressure reheat steam Rankine power cycles for the bottoming cycle. Some studies in the literature have investigated the application of recompression and cascade style supercritical CO2 (sCO2) cycles for NGCC bottoming cycle applications but these studies have focused on power plants without carbon capture. However, NGCC plants fitted with post-combustion solvent-based CO2 capture systems will require a significant amount of steam for solvent regeneration and this can have a major impact on the optimal sCO2 bottoming cycle design. This study investigates the performance and economic potential of sCO2 bottoming cycles for H-class gas turbine based NGCC plants with a post-combustion capture system. A portion of the gas turbine exhaust heat is used for generation of steam required for solvent-based capture system while the rest of the waste heat is utilized in an sCO2 bottoming cycle for power generation. Overall, the performance and LCOE of investigated sCO2 bottoming cycles is similar to that of a state-of-the-art triple pressure reheat steam Rankine cycle. As the gas turbine exhaust temperature increases (beyond 630oC), sCO2 bottoming cycles begin to show greater performance and economic benefits compared to a steam Rankine cycle.

Pidaparti, Sandeep↗

Li-rich Li[Li1/6Fe1/6Ni1/6Mn1/2]O2 (LFNMO) Cathodes: Atomic Scale Insight on the Mechanisms of Cycling Decay and of the Improvement due to Cobalt Phosphate Surface Modification

Lithium-rich Li[Li1/6Fe1/6Ni1/6Mn1/2]O2(0.4Li2MnO3-0.6LiFe1/3Ni1/3Mn1/3O2, LFNMO) is a new member of the xLi2MnO3·(1-x)LiMO2 family of high capacity - high voltage LIB cathodes. Unfortunately, it suffers from the severe degradation during cycling both in terms of reversible capacity and operating voltage. We are the first to document the corresponding degradation occurring in LFNMO at an atomic scale using aberration- corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) , as well as tracing the elemental crossover to the Li metal anode using XPS. We also demonstrate that a phosphate coating significantly boosts LFNMO cycling stability and rate capability. Due to cycling, the unmodified LFNMO undergoes extensive elemental dissolution (especially Mn) and O loss, forming Kirkendall-type voids. The associated structural degradation is from the as-synthesized R-3m layered structure to a disordered rock-salt phase. Prior to cycling, the phosphate coating shares the crystallography of the parent material. During cycling, a 2-3 nm thick disordered Co-based rock-salt structure is formed on the Mod-LFNMO surface, while the bulk material retains R-3m crystallography. Electrochemical impedance spectroscopy (EIS) analysis highlights how the phosphide treatment stabilizes the charge transfer resistance (RCT), the CEI resistance (RCEI), and the lithium ion diffusion coefficient (DLi). XPS analysis demonstrates that the coating also reduces the amount of cross-over Mn, Fe and especially Ni deposited on the Li metal anode, which is expected to lead to a more stable SEI layer during cycling. These combined cathode - anode findings significantly advance the microstructural design principles for next generation Li-rich cathode materials and coatings.

: high voltage cathode, Li - and Mn - rich cathode↗

Thermal Stability and Lattice Strain Evolution of High-Nb-Containing TiAl Alloy under Low-Cycle-Fatigue Loading

The micromechanical behavior and the effect of temperature on the micromechanical mechanism of high-Nb-containing TiAl alloy during low-cycle fatigue still remain uncertain. Herein, in situ and ex situ synchrotron-based high-energy X-ray (HEXRD) experiment results reveal that the gamma and omega(o) phases suffer compressive lattice strains but the lattice strain in the alpha(2) phase evolves from tensile to compressive during low-cycle fatigue at 900 degrees C. In addition, the three phases suffer compressive lattice strains during cooling to room temperature, which could result in larger compressive lattice strains in gamma and omega(o) phases and the change of the lattice strain state in the alpha(2) phase. The peak-broadening results show gamma recrystallization is dominant in the interrupted low-cycle-fatigue samples, whereas inhomogeneous deformation occurs in the failed low-cycle-fatigue samples. The performed synchrotron diffraction experiments offer a deeper insight into the phase transformations and micromechanism of TiAl alloy during low-cycle fatigue.

cyclic stress-strain behavior↗