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At least 145 records · Page 8

On Projection of Safe Operation for Grid-Following Inverters - Grid Parameter Estimation

This work investigates the projection of safe operation for grid-following inverters using a reference model. This work applies recursive-least square and model reference adaptive estimation techniques to estimate the unknown grid parameters. The estimated grid parameters are used in a dynamic reference model to project the safe operation of the inverter. This work also demonstrates that the controller nonlinearity and parameter variations can cause unsafe operations, such as unexpected instability at low power levels, namely hidden mode of instability. This instability issue in the nominal operating range may occur for given control parameters in a weak-grid condition. The dynamic reference model for PQ-controlled inverters is applied to analyze this instability issue using the estimated grid parameters. Both adaptive identification techniques can estimate the unknown parameters accurately, and the dynamic reference model can safeguard inverters from an unsafe operation, i.e., hidden instability, by examining the incoming new power setpoints before engaging them to the local controller. The findings are experimentally verified using a small-scale two-level 208 V, 5 kVA inverter feeding a 12 kW NHR 9410 power grid emulator.

Hossen, Tareq↗

Strain-stabilized interfacial polarization tunes work function over 1 eV in RuO 2 /TiO 2 heterostructures

Interfacial polarization – charge accumulation at the heterointerface – is a well-established tool in semiconductors, but its influence in metals remains unexplored. Here, we demonstrate that interfacial polarization can robustly modulate surface work function in metallic rutile RuO 2 layers in epitaxial RuO 2 /TiO 2 heterostructures grown by hybrid molecular beam epitaxy. Using multislice electron ptychography, we directly visualize polar displacements of transition metal ions relative to oxygen octahedra near the interface, despite the conductive nature of RuO 2 . This interfacial polarization enables over 1 eV modulation of the RuO 2 work function, controlled by small thickness variations (2-3 nm), as measured by Kelvin probe force microscopy, with a critical thickness of ~4 nm – corresponding to the transition from fully-strained to relaxed film. These results establish interfacial polarization as a powerful route to control electronic properties in metals and have implications for designing tunable electronic, catalytic, and quantum devices through interfacial control in polar metallic systems.

Electronic properties and materials↗

Deciphering controls on metal migration within floodplains: The critical role of redox environments on metal-organic complexes (Final Technical Report)

Our project elucidates the effect of differing hydrologic regimes on nutrient and contaminant dynamics within floodplains, and we explore the impact of varying sources of hydrologic extremes on nutrient-contaminant fate and transport. We use a combination of field measurements and laboratory experiments to examine the relationships between redox conditions, functionality of dissolved organic matter, metal speciation (specifically examining metal-ligand complexes), and nutrient-contaminant fate, particularly during hydrologic extremes. Floodplain biogeochemical variation through climatic extremes and beaver-induced hydrologic variation provide a unique look at controls on nutrient-contaminant fate and transport. Through our work, we have developed a novel approach that provides an unprecedented ability to resolve aqueous metal-organic complexes that reveals metal binding preferences for natural organic matter based on metal-ligand chemistry. We have developed novel methods to separate, quantify, and characterize organic-metal complexes in natural DOM that pair with field experiments comprising floodplains having systematic variation in biogeochemical conditions. We also developed a comprehensive computational approach for molecular characterization of metal-organic species that merges LC-coupled high resolution (HR) mass spectrometry and ICP-MS analysis. Importantly, we show that beaver dams have an outsized influence on hydrologic extremes, dwarfing the impact of climatic variation, that ultimate control biogeochemical conditions and water quality. Additionally, beaver dams impose a hydrologic driver that leads to improved, river water quality by divert water through soils and the hyporheic zone. We further show that iron(III) minerals have a dominant control on carbon mineralization across floodplains independent of hydrologic conditions, and that iron and aluminum associations with organic matter are a controlling factor in carbon mineralization. Ultimately, our work is helping to advancing a robust predictive understanding of how hydrologic changes in watersheds affect water quality and carbon and metal cycling in riparian zones.

54 ENVIRONMENTAL SCIENCES↗

Satellite Reentry Predictions During Sudden Stratospheric Warmings

Prediction of uncontrolled satellite reentry time and trajectory are essential to avoid damages to human being and properties over land. Reentry time and trajectory are largely controlled by aerodynamic drag and mass neutral density below 200 km. In this paper, using a numerical model of the whole atmosphere, WACCM‐X, and a Precision Orbital Determination software, we demonstrate the major sudden stratospheric warming (SSW) in January 2009, during the deep solar minimum of 2009, may cause 0.2–0.3 day of variation in reentry time. The SSW can alter the mass density and composition mixing ratio in the lower thermosphere below 200 km through changed wave forcing and general circulation in the lower thermosphere. This is comparable to the effect of a 2‐SFU (Solar Flux Unit) solar radiance variation on the neutral density. 0.1 day of reentry time uncertainty corresponds to a global shift in impact location, that is, thousands of kilometers distance. For comparison, a major SSW during solar maximum contributes little to reentry time variation, which is predominantly controlled by the solar and geomagnetic forcing. We suggest a few proxies such as O/N 2 in the lower thermosphere or mean meridional wind to account for the lower atmosphere impacts in an operational model. This needs to be investigated in rigorous future work.

54 ENVIRONMENTAL SCIENCES↗

Wind turbine power phase control with DC collection bus for onshore/offshore windfarms

A DC bus collection system for a wind farm reduces the overall required number of converters and minimizes the energy storage system requirements. The DC bus collection system implements a power phasing control method between wind turbines that filters the variations and improves power quality. The phasing control method takes advantage of a novel power packet network concept with nonlinear power flow control design techniques that guarantees both stable and enhanced dynamic performance.

Weaver, Wayne W.↗

Dynamic Frequency Regulation Improvement in Hydropower-Hybrid System using Variational Mode Decomposition

Providing frequency response, especially fast frequency response such as Red D in the Pennsylvania-New Jersey-Maryland Interconnection (PJM) market, is challenging for many generation plants to deliver on their own. If they have adequate flexibility, hydropower plants are typically able to provide slower regulation support (e.g., Reg A in PJM), but do not respond fast enough to provide Reg D. The ability to provide Reg D would improve their revenue because this service is typically more valuable. This work presents a control approach to use hydropower, battery, and ultracapacitor systems to provide fast regulation in a way that uses the response contribution of each asset. In particular, the proposed control architecture applies a variational mode decomposition (VMD) technique on the incoming Reg D signal to extract multiple dynamic-regulation components with non-overlapping frequencies. With the response-speed dependent alignment, these regulation components are fed to the hydrogenator and hybrid energy storage system (HESS). The paper evaluates the proposed approach on a direct-current (DC)-coupled active system by computing several performance measures and analyzing sensitivity based on HESS component proportional capacities. The results reveal that the proposed VMD-based signal conditioning performs well and that optimizing the sizing of the battery and ultracapacitor components further enhances performance.

13 HYDRO ENERGY↗

AIRES-NODE

This software package performs time series forecasting for engineering systems using neural controlled differential equations. Neural controlled differential equations are continuous time analogues to recurrent neural networks. AIRES-NODE is particularly well suited for dynamic systems which are subject to external forcing terms and time-dependent boundary conditions. AIRES-NODE provides an encoder-decoder architecture which allows for variable-length forecasts to be made and is not limited to a fixed time step size when forecasting. Additionally, by utilizing a novel combination of a variational autoencoder and neural controlled differential equations, the AIRES-NODE package is capable of producing probabilistic future forecasts.

Gurecky, William [Oak Ridge National Laboratory (O↗

Integrated parameter and process learning for hydrologic and biogeochemical modules in Earth System Models

Focus area: Primary focal area #2; secondary focal area #3: Learning about parameters and processes of land surface hydrologic and biogeochemical models in Earth System models by integrating machine learning, physics, and big data. Science challenges: How do we maximally leverage big-data observations to improve hydrobiogeochemical process description and parameterization so that such modules more realistically capture hydrologic and vegetation responses and feedbacks under the future climate? For example, how can we leverage physics, limited observations of vegetation and streamflow to better estimate evapotranspiration, and, relatedly, net primary productivity, especially for drought areas? Vegetation plays a critical role in regional and global water cycles; however, existing vegetation models have failed to predict vegetation response to droughts (McDowell & Xu, 2017) , arctic greening (Keenan & Riley, 2018) , and critical transitions between forest and savanna (Hirota et al., 2011) . These studies suggest that when we build process-based models (PBM) parameterized from regional and global plant traits, we tend to poorly describe plant adaptation and local-scale competition processes. The models and their associated parameters assigned for different regions in the world are not capturing essential heterogeneity in vegetation responses at finer spatial scales. Many parameters of the land surface models control hydrology and vegetation dynamics at the same time. The heterogeneity in vegetation response is a function of (i) plant type, (ii) plant size, (iii) competition and succession, (iv) environmental controls, and (v) local variations due to the unique ecological community that are very difficult to describe (e.g., the size of gaps resulting from fire that facilitated the coexistence of pioneering species). In the demographic models, only factors (i) and (iv) were captured, and plant types were generally described only by leaf phenology and climate zones. With current demographic models, we generally consider more traits to define plant types (i) and calibrate these traits to consider factors (ii), (iii) and (iv); however, it is substantially challenging to scale to regional and global simulations due to trait variations across space (Ali et al., 2016). Moreover, it has been noted that hillslope processes, including ridge-to-valley flow and sunny vs. shady slopes are primary organizers of water, energy, and vegetation (Clark et al., 2015; Fan et al., 2019) . Although gradual improvements in the hydrologic model component in earth system models may reduce this error (at a remarkably slow pace), the long-term, gradual impact of hydrology on plant traits are not well captured. Recent work showed that the hydrologic controls exerted by groundwater and lateral flow are primary regulators of rooting depth (Fan et al., 2017) . Such hydrologic controls have seldom been reflected in vegetation model parameterizations.

54 ENVIRONMENTAL SCIENCES↗

Anomalous size effect on yield strength enabled by compositional heterogeneity in high-entropy alloy nanoparticles

High-entropy alloys (HEAs), although often presumed to be random solid solutions, have recently been shown to display nanometer-scale variations in the arrangements of their multiple chemical elements. Here, we study the effects of this compositional heterogeneity in HEAs on their mechanical properties using in situ compression testing in the transmission electron microscope (TEM), combined with molecular dynamics simulations. We report an anomalous size effect on the yield strength in HEAs, arising from such compositional heterogeneity. By progressively reducing the sample size, HEAs initially display the classical “smaller-is-stronger” phenomenon, similar to pure metals and conventional alloys. However, as the sample size is decreased below a critical characteristic length (~180 nm), influenced by the size-scale of compositional heterogeneity, a transition from homogeneous deformation to a heterogeneous distribution of planar slip is observed, coupled with an anomalous “smaller-is-weaker” size effect. Atomic-scale computational modeling shows these observations arise due to compositional fluctuations over a few nanometers. These results demonstrate the efficacy of influencing mechanical properties in HEAs through control of local compositional variations at the nanoscale.

36 MATERIALS SCIENCE↗

Integrating vehicle trajectory planning and arterial traffic management to facilitate eco-approach and departure deployment

Eco-approach and departure (EAD) enable continuous vehicle motion in urban signalized corridors. Since such a motion can extend to the EAD vehicles’ followers, it makes EAD a promising technology to benefit the traffic flow where automated vehicles and conventional vehicles coexist. Most existing EAD studies envision an ideal setting that neglects real-world operational conditions such as lane changes, multi-movement intersection configuration, partially automated fleet, and/or limited traffic state awareness. This study aims to fill the gap by designing an EAD algorithm considering real-world traffic operation constraints. The proposed algorithm uses a model predictive controller to minimize vehicle speed reduction and variation based on the real-time traffic signal control plan and measured queues at the intersection. The required inputs are readily available at many modern intersections. We observed that the proposed controller’s performance might degrade because of lane-changing maneuvers and lead-left turn traffic signals. These observations motivated our development of a lane change management strategy and a signal control implementation strategy to facilitate the EAD implementation. The lane change management strategies separate the EAD operations and lane-changing maneuvers in time and space. The signal control implementation strategy applies lag-left turn signals to enable EAD operation for both the through and left-turn vehicles. Compared to the non-EAD case, our EAD approach produces 2.5% to 7.8% energy savings while keeping similar intersection mobility. Notably, this approach brings about 2.5% to 3.6% energy savings in a 2% CAV case. This result demonstrates the feasibility of deploying EAD at low connected automated vehicle penetration rates.

Arterial corridor management↗

Investigation of Cycle-to-Cycle Variations in Internal Combustion Engine Using Proper Orthogonal Decomposition

The understanding, modeling and control of the cycle-to-cycle variation (CCV) in the modern internal combustion engine (ICE) is a key scientific challenge to achieve stable engine operation. High CCV in the engine combustion chamber may contribute to partial burn, misfire and knock, which adversely affects the engine performance and may potentially damage the engine. The objective of the current study is to leverage high-fidelity numerical simulations to improve the understanding of the causes of CCV. Using the massively parallel code, Nek5000, multi-cycle, wall-resolved large-eddy simulations (LES) were performed for the General Motors (GM), Transparent Combustion Chamber (TCC-III) optical engine under motored operating conditions. Further, the large-scale structures of the in-cylinder flow were investigated using a triple proper orthogonal decomposition (POD) technique to explore the characteristics of different parts of the flow and their contributions to CCV. The kinetic energy of the subset of flow structures were determined and correlated between the intake and compression strokes. The insights from the analysis of the large-scale flow structures will be used to assist the development of improved engine designs with reduced CCV and enhance the engine performance.

33 ADVANCED PROPULSION SYSTEMS↗

Numerical investigations to identify environmental factors for field-scale reactive transport of pathogens at riverbank filtration sites

While induced bank filtration is a proven method for facilitating sustainable drinking water production, it is at risk from surface water contaminations (e.g., pathogens). Induced bank filtration and pathogen transport in groundwater have been studied extensively. However, long-term studies that consider real-world conditions are missing. These conditions include seasonal changes to environmental conditions and waterworks operations. Therefore, to analyze the effect of seasonal changes on the transport of human pathogenic viruses and their indicators in induced bank filtration, concentrations of adenoviruses and pathogen indicators were monitored over 16 months at an active bank filtration plant at the Rhine River, in Düsseldorf (Germany). Based on this data, a 2D groundwater model was created in PFLOTRAN that simulated flow, heat transport, conservative transport of chloride and the resulting electrical conductivity, reactive transport of oxygen and nitrate, and colloid-based transport of coliforms, somatic coliphages, and adenoviruses. The results show that reduced travel time was the key factor determining periods with a low removal of coliforms and somatic coliphages in the aquifer. Travel time was controlled by river level variations during rainy seasons, and the waterworks extraction rates during dry seasons. Further, for adenovirus transport, travel distance in the subsurface appeared to be the key factor, while travel time had no significant impact. Coliform removal increased when the colmation layer permeability decreased, while coliphage and adenovirus removal was unaffected by the colmation layer permeability. Seasonal changes in temperature and oxygen content did not significantly impact the removal of coliphages and adenoviruses in groundwater. Denitrifying conditions correlated with a lowered coliform removal, but the modelling could not establish a connection between denitrifying conditions and coliform removal. Our study showed that removal of pathogens and pathogen indicators at induced bank filtration plants varies greatly in time and space (e.g., for coliforms from 1 to 4 log-levels at 20m travel distance), and that adenovirus transport differs considerably from transport of coliforms and somatic coliphages.

59 BASIC BIOLOGICAL SCIENCES↗

Tailored Solvent Treatment for Optimized Production of Upcycled Anodes from End-Of-Life Li-Ion Batteries

Recycling processes for lithium-ion batteries typically overlook graphite because of its lower market value relative to that of transition-metal-containing cathode materials. However, graphite recovered from cycled lithium-ion batteries holds additional engineered value associated with the solid-electrolyte interphase (SEI). The SEI contributes critical electronic passivation of the graphite surface but becomes highly resistive with extended cycling, yielding poor cell performance. In this work, we apply tailored solvent treatment to end-of-life (EOL) graphite anodes to selectively remove adverse SEI components while retaining beneficially passivating species. We evaluate a series of polar protic solvents to achieve targeted removal of SEI components and control selectivity through rational variation in solvent properties. The physiochemical properties of treatment solvents correlate with both the retained SEI composition and the corresponding electrochemical performance of solvent-treated “upcycled” graphite anodes. Within the initial set of solvents evaluated, top-performing candidates show capacity and Coulombic efficiency nearly equivalent to those of an analogous pristine anode, as well as promising electrochemical performance enhancement with regard to irreversible capacity-loss metrics. This study establishes critical design principles for an optimized anode upcycling method that enhances the value of recycled graphite by retaining and upgrading the SEI.

25 ENERGY STORAGE↗

Thermal management of a high temperature sodium sulphur battery stack

The sodium sulfur battery is an advanced secondary battery with high potential for grid-level storage due to their high energy density, low cost of the reactants, and high open-circuit voltage. However, as the operating temperature of the battery is high (about 300 °C), effective thermal management is required to prevent thermal runaway under high current density operation. Here, to develop efficient thermal management strategies, a detailed, thermo-electrochemical, non-isothermal, distributed dynamic model of a sodium-sulfur battery stack is developed. Models of three thermal management strategies are developed and analyzed in this work: active cooling, passive cooling, and hybrid cooling. The active cooling strategy uses air as the cooling medium whereas, the passive cooling strategy uses a phase change material. In the hybrid cooling strategy, both active and passive cooling strategies are used. Due to the high operating temperature of the sodium sulfur batteries, the rejected heat can be utilized effectively and consequently a high variability in the heat rejection rate may not be acceptable. Performance of these strategies is analyzed under high current density operation by evaluating the variability in the cell temperature during charge/discharge cycles, temperature difference between the cells based on their locations, and variability in the heat rejection rate. The phase change-based hybrid thermal management strategy with an embedded controller maintained the temperature variation within ±/- 2.8 °C. Considering the tradeoff between the capital cost for PCM, fan power requirement, and variability in the heat rejection rate, the optimal quantity of the PCM and the maximum air velocity for the maximum current density of 260 mA/cm 2 (0.55 C-rate) were found be 0.74 g/Wh and 3 m/s, respectively.

25 ENERGY STORAGE↗

The effect of helium on cavity swelling in dual-ion irradiated Fe and Fe-10Cr ferritic alloys

We report Ferritic-martensitic (FM) steels for in-vessel components in proposed fusion reactors are expected to suffer from high levels of displacement damage and helium (He) generation by neutron transmutation. However, a thorough understanding of the He synergistic effects on the cavity swelling in FM steels is still not well established. To gain fundamental insights into the He effect on cavity swelling, high purity Fe and Fe-10 wt.% Cr ferritic model alloys were irradiated with 8 MeV Ni ions and co-implanted He ions at 400 to 550 °C up to 30 displacements per atom (dpa) with He implantation rates of 0.1, 10 and 50 appm He/dpa. The current study focuses on the 50 appm He/dpa, 500 °C behavior vs. 0.1 and 10 appm He/dpa. Irradiation-induced defects, including cavities, dislocation loops, and dislocation networks were characterized using transmission electron microscopy (TEM). In the grain interior, a bimodal cavity size distribution was observed in the 10 and 50 appm He/dpa samples, but not for 0.1 appm He/dpa. Cavity swelling was maximized at intermediate He implantation rates of ~10 appm He/dpa for both ion-irradiated Fe and Fe-10Cr alloys. The cavity swelling behavior as a function of He implantation rate appears to be controlled by the He/dpa-dependent variation of cavity sink strengths. Treating small bubbles as biased sinks for interstitial absorption can significantly increase the ratio of biased to unbiased sink strengths (Q) and results in maximized cavity swelling for a Q ratio close to one.

36 MATERIALS SCIENCE↗

Capillary absorption spectroscopy for high temporal resolution measurements of stable carbon isotopes in soil and plant-based systems

Capillary Absorption Spectroscopy (CAS) is a relatively new analytical technique for performing stable isotope analysis. Here, we demonstrate the utility of CAS by recording and quantifying variation in 13C in controlled and biologically relevant applications. We calibrated CAS system response to increased 13CO2, with an observed ~4‰ increase in measured Δ13C for each 0.03 ppm shift in 13CO2 concentration. We leveraged this calibration to quantify rates of biogeochemical processes using a 13C tracer. For example, we monitored microbial respiration of 13C-glucose within an agricultural soil at 10 s quantification intervals and results demonstrated 8.6% ± 0.4 of added glucose was converted to 13CO2 within 1.5 h of incubation. We expanded the demonstration by adapting a rhizobox to permit continuous monitoring of 13CO2 in a soil (as distinct from plant) headspace to track the timing and quantify respiration rates of fresh plant photosynthate and observed a 3.5 h delay between plant exposure to a13CO2 tracer and the first signs of respiration by soil biota. These experiments highlight CAS is effective in producing high temporal resolution quantification of 13CO2 and demonstrate potential applications.

13CO2↗

Interpreting nanovoids in atom probe tomography data for accurate local compositional measurements

Quantifying chemical compositions around nanovoids is a fundamental task for research and development of various materials. Atom probe tomography (APT) and scanning transmission electron microscopy (STEM) are currently the most suitable tools because of their ability to probe materials at the nanoscale. Both techniques have limitations, particularly APT, because of insufficient understanding of void imaging. Here, we employ a correlative APT and STEM approach to investigate the APT imaging process and reveal that voids can lead to either an increase or a decrease in local atomic densities in the APT reconstruction. Simulated APT experiments demonstrate the local density variations near voids are controlled by the unique ring structures as voids open and the different evaporation fields of the surrounding atoms. We provide a general approach for quantifying chemical segregations near voids within an APT dataset, in which the composition can be directly determined with a higher accuracy than STEM-based techniques.

36 MATERIALS SCIENCE↗