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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 253 records · Page 14

Systems and methods for randomized, packet-based power management of conditionally-controlled loads and bi-directional distributed energy storage systems

The present disclosure provides a distributed and anonymous approach to demand response of an electricity system. The approach conceptualizes energy consumption and production of distributed-energy resources (DERs) via discrete energy packets that are coordinated by a cyber computing entity that grants or denies energy packet requests from the DERs. The approach leverages a condition of a DER, which is particularly useful for (1) thermostatically-controlled loads, (2) non-thermostatic conditionally-controlled loads, and (3) bi-directional distributed energy storage systems. In a first aspect of the present approach, each DER independently requests the authority to switch on for a fixed amount of time (i.e., packet duration). The coordinator determines whether to grant or deny each request based electric grid and/or energy or power market conditions. In a second aspect, bi-directional DERs, such as distributed-energy storage systems (DESSs) are further able to request to supply energy to the grid.

Frolik, Jeff↗

Multi-Omics Reveals Temporal Scales of Carbon Metabolism in Synechococcus Elongatus PCC 7942 Under Light Disturbance

Central carbon metabolism in model cyanobacteria involves multiple pathways to adapt to energy-light limitations across diel cycles. However, the success in mechanistic modeling for phenotypic prediction of the protein regulators in the metabolic state depends on capturing the vast possibilities emerging from multiple regulatory pathways in complex biological processes. Here, we developed a physics-informed machine learning approach based on energy-landscape concepts to predict regulatory proteins responding to cyclic circadian and unforeseen light perturbations in cyanobacterial metabolic networks. Our approach provides interpretable de novo models for inferring gene expression dynamics from Synechococcus elongatus over diel cycles and using redox proteome analysis to distinguish immediate light-responsive elements from circadian-regulated processes in carbon metabolism pathways. We identified distinct temporal signatures with the analysis of the redox proteome: there was an immediate shift in cysteine redox states accompanied by a limited change in protein abundance under constant illumination and after 2 hours of darkness. This discovery indicates that the generation of reductants coordinates photoinduced electron transport with redox metabolic pathways in two discernable molecular mechanisms: fast redox-based protein modifications occur immediately after the light disturbance, followed by slow transcriptional regulations across networks. This temporal regulation reveals how metabolic networks integrate rapid light responses with programmed circadian rhythms to maintain cellular homeostasis under the light-energy limitations over the diel cycle.

Biomolecular & subcellular processes↗

Super-Resolution Imaging of Plant Receptor-Like Kinases Uncovers Their Colocalization and Coordination with Nanometer Resolution

Plant cell signaling often relies on the cellular organization of receptor-like kinases (RLKs) within membrane nanodomains to enhance signaling specificity and efficiency. Thus, nanometer-scale quantitative analysis of spatial organizations of RLKs could provide new understanding of mechanisms underlying plant responses to environmental stress. Here, we used stochastic optical reconstruction fluorescence microscopy (STORM) to quantify the colocalization of the flagellin-sensitive-2 (FLS2) receptor and the nanodomain marker, remorin, within Arabidopsis thaliana root hair cells. We found that recovery of FLS2 and remorin in the plasma membrane, following ligand-induced internalization by bacterial-flagellin-peptide (flg22), reached ~85% of their original membrane density after ~90 min. The pairs colocalized at the membrane at greater frequencies, compared with simulated randomly distributed pairs, except for directly after recovery, suggesting initial uncoordinated recovery followed by remorin and FLS2 pairing in the membrane. The purinergic receptor, P2K1, colocalized with remorin at similar frequencies as FLS2, while FLS2 and P2K1 colocalization occurred at significantly lower frequencies, suggesting that these RLKs mostly occupy distinct nanodomains. The chitin elicitor receptor, CERK1, colocalized with FLS2 and remorin at much lower frequencies, suggesting little coordination between CERK1 and FLS2. These findings emphasize STORM’s capacity to observe distinct nanodomains and degrees of coordination between plant cell receptors, and their respective immune pathways.

59 BASIC BIOLOGICAL SCIENCES↗

Background Information on the Protection Requirements in IEEE Std 1547-2018

As the DER penetration level has risen significantly in recent times, parameter settings and configuration of installed DERs are having direct impact on local electric distribution utilities as well as bulk power systems during normal and abnormal grid conditions. On the other hand, all grid-connected DERs in the United States of America must conform to the interconnection requirements prescribed in the IEEE Std 1547-2018. Because of these reasons, it is crucial to understand the expected DER performance during abnormal grid conditions considering the requirements of the IEEE Std 1547-2018. The aim of this document is twofold: (1) to summarize requirements in IEEE Std 1547-2018 having direct implications in distribution network protection, and (2) to provide the reader with knowledge and information that will be required for users to apply the requirements specified. Since the focus of this document is on distribution network protection in the presence of DERs, it is assumed that the readers have basic understanding of distribution network protection as well as working principles of DERs. This document starts with a brief introduction on protection systems for distribution network followed by a discussion on the impact of DER on the protection systems. Current practices to provide network protection in the presence of DER is briefly discussed. The document then explores the DER performance requirements in IEEE Std. 1547-2018; especially on those related to distribution network protection. Section 6.1 in IEEE Std. 1547-2018 provides an overview of capabilities and control requirements for DER under abnormal operating conditions. This section also introduces abnormal operating performance categories I, II, III. The DER response to various types of faults and grid conditions such as short-circuit faults and open phase conditions are discussed in section 6.2 in the standard while requirements for coordination with the Area EPS reclosing scheme are provided in section 6.3. Section 6.4 in the IEEE Std 1547-2018 specifies requirements for mandatory voltage tripping and ride-through requirements during low and high voltage disturbances and section 6.5 specifies similar requirements for low and high frequency disturbances. IEEE Std. 1547 requires that the conformance of the DERs to IEEE Std 1547-2018 requirements should be verified in accordance with IEEE Std. 1547. 1. There are several parameters and settings of DERs that need to be properly selected for reliable operation during abnormal grid condition while applying the requirements of IEEE Std 1547-2018. Key decisions for proper selections of parameter and settings are: 1. Determination of required DER abnormal operating performance category, 2. Determination of DER response (shall trip) to abnormal voltages and 3. Determination of DER response (shall trip) to abnormal frequency.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Deep Learning Predicts Stress–Strain Relations of Granular Materials Based on Triaxial Testing Data

This study presents an AI-based constitutive modelling framework wherein the prediction model directly learns from triaxial testing data by combining discrete element modelling (DEM) and deep learning. A constitutive learning strategy is proposed based on the generally accepted frame-indifference assumption in constructing material constitutive models. The low-dimensional principal stress-strain sequence pairs, measured from discrete element modelling of triaxial testing, are used to train recurrent neural networks, and then the predicted principal stress sequence is augmented to other high-dimensional or general stress tensor via coordinate transformation. Through detailed hyperparameter investigations, it is found that long short-term memory (LSTM) and gated recurrent unit (GRU) networks have similar prediction performance in constitutive modelling problems, and both satisfactorily predict the stress responses of granular materials subjected to a given unseen strain path. Furthermore, the unique merits and ongoing challenges of data-driven constitutive models for granular materials are discussed.

42 ENGINEERING↗

Quantifying microbial control of soil organic matter dynamics at macrosystem scales

Soil organic matter (SOM) stocks, decomposition and persistence are largely the product of controls that act locally. Yet the controls are shaped and interact at multiple spatiotemporal scales, from which macrosystem patterns in SOM emerge. Theory on SOM turnover recognizes the resulting spatial and temporal conditionality in the effect sizes of controls that play out across macrosystems, and couples them through evolutionary and community assembly processes. For example, climate history shapes plant functional traits, which in turn interact with contemporary climate to influence SOM dynamics. Selection and assembly also shape the functional traits of soil decomposer communities, but it is less clear how in turn these traits influence temporal macrosystem patterns in SOM turnover. Here, we review evidence that establishes the expectation that selection and assembly should generate decomposer communities across macrosystems that have distinct functional effects on SOM dynamics. Representation of this knowledge in soil biogeochemical models affects the magnitude and direction of projected SOM responses under global change. Yet there is high uncertainty and low confidence in these projections. To address these issues, we make the case that a coordinated set of empirical practices are required which necessitate (1) greater use of statistical approaches in biogeochemistry that are suited to causative inference; (2) long-term, macrosystem-scale, observational and experimental networks to reveal conditionality in effect sizes, and embedded correlation, in controls on SOM turnover; and (3) use of multiple measurement grains to capture local- and macroscale variation in controls and outcomes, to avoid obscuring causative understanding through data aggregation. Here, when employed together, along with process-based models to synthesize knowledge and guide further empirical work, we believe these practices will rapidly advance understanding of microbial controls on SOM and improve carbon cycle projections that guide policies on climate adaptation and mitigation.

59 BASIC BIOLOGICAL SCIENCES↗

DFT-Based Calculation of Molecular Hyperpolarizability and SFG Intensity of Symmetric and Asymmetric Stretch Modes of Alkyl Groups

Vibrational sum frequency generation (SFG) spectroscopy has been extensively used for obtaining structural information of molecular functional groups at two-dimensional (2D) interfaces buried in the gas or liquid medium. Although the SFG experiment can be done elegantly, interpreting the measured intensity in terms of molecular orientation with respect to the lab coordinate is quite complicated. One of the main reasons is the difficulty of determining the hyperpolarizability tensors of even simple molecules that govern their SFG responses. The single-bond polarizability derivative (SBPD) model has been proposed to estimate the relative magnitude of SFG-active hyperpolarizability by assuming that the perturbation associated to each vibration is negligible. In this study, density functional theory (DFT) was used to calculate the polarizability and dipole derivative tensors of the CH 3 stretch mode of CH 3 I, CH 3 CH 2 I, CH 3 OH, CH 3 CH 2 OH. Then, the hyperpolarizability tensors of symmetric and asymmetric vibration modes were calculated considering the Boltzmann distribution of representative conformers, which allowed theoretical calculation of their SFG intensities at all polarization combinations as a function of the tilt angle of the CH 3 group with respect to the surface normal direction. Then the ratios of the calculated SFG intensities for the CH 3 peaks used in experimental studies for the CH 3 tilt angle determination were compared. This comparison clearly showed the effect of vibrational coupling among neighboring functional groups. As a result, this study presents new parameters that can be used in determining the average tilt angle of the CH 3 group at the 2D interface with SFG measurements as well as limitations of the method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Revealing Intermetallic Active Sites of PtNi Nanocatalysts for Reverse Water Gas Shift Reaction

Bimetallic nanoparticles have gained great interest due to their potential applications in catalysis. By combining Lattice Boltzmann Modeling (LBM), Density Functional Theory (DFT) calculations, and kinetic Monte Carlo (KMC) simulation, here we rationalize the superior performance of supported Pt-Ni alloy nanostructures over Pt and Ni alone during the reverse Water Gas Shift (rWGS) reaction, which was observed previously. The LBM simulation including the diffusion and flow of the reacting gas molecules within the supporting nanoporous channels in SBA-15 indicates that the simple combination of contributions from Ni and Pt alone is not enough to result in the observed promotion in rWGS activity and selectivity of the Pt-Ni alloy. Instead, the synergy between Pt and Ni via a unique intermetallic motif is responsible according to the DFT and KMC simulation. In conclusion, compared to the monometallic counterparts, the intermetallic-introduced ensemble effect at the low-coordinated Pt-Ni hybrid site of Pt-Ni alloy nanocatalysts enables the enhanced activation of CO 2 and promoted removal of CO/H 2 O as gas phase product.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Tuning the zeolite acidity enables selectivity control by suppressing ketene formation in lignin catalytic pyrolysis

Unveiling catalytic mechanisms at a molecular level aids rational catalyst design and selectivity control for process optimization. In this study, we find that the Brønsted acid site density of the zeolite catalyst efficiently controls the guaiacol catalytic pyrolysis mechanism. Guaiacol demethylation to catechol initiates the reaction, as evidenced by the detected methyl radicals. The mechanism branches to form either fulvenone (c-C 5 H 4 = C = O), a reactive ketene intermediate, by catechol dehydration, or phenol by acid-catalyzed dehydroxylation. At high Brønsted acid site density, fulvenone formation is inhibited due to surface coordination configuration of its precursor, catechol. By quantifying reactive intermediates and products utilizing operando photoelectron photoion coincidence spectroscopy, we find evidence that ketene suppression is responsible for the fivefold phenol selectivity increase. Complementary fulvenone reaction pathway calculations, along with 29 Si NMR-MAS spectroscopy results corroborate the mechanism. The proposed, flexible operando approach is applicable to a broad variety of heterogeneous catalytic reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Going around the Kok cycle of the water oxidation reaction with femtosecond X-ray crystallography

The water oxidation reaction in photosystem II (PS II) produces most of the molecular oxygen in the atmosphere, which sustains life on Earth, and in this process releases four electrons and four protons that drive the downstream process of CO 2 fixation in the photosynthetic apparatus. The catalytic center of PS II is an oxygen-bridged Mn 4 Ca complex (Mn 4 CaO 5 ) which is progressively oxidized upon the absorption of light by the chlorophyll of the PS II reaction center, and the accumulation of four oxidative equivalents in the catalytic center results in the oxidation of two waters to dioxygen in the last step. The recent emergence of X-ray free-electron lasers (XFELs) with intense femtosecond X-ray pulses has opened up opportunities to visualize this reaction in PS II as it proceeds through the catalytic cycle. In this review, we summarize our recent studies of the catalytic reaction in PS II by following the structural changes along the reaction pathway via room-temperature X-ray crystallography using XFELs. The evolution of the electron density changes at the Mn complex reveals notable structural changes, including the insertion of O X from a new water molecule, which disappears on completion of the reaction, implicating it in the O—O bond formation reaction. We were also able to follow the structural dynamics of the protein coordinating with the catalytic complex and of channels within the protein that are important for substrate and product transport, revealing well orchestrated conformational changes in response to the electronic changes at the Mn 4 Ca cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Critical steps in preventing future pandemics. Early lessons from the Covid-19 crisis for addressing natural and deliberate biological threats.

This report summarizes a virtual workshop on early lessons from the COVID-19 pandemic as they pertain to proactively addressing future biological threats. Co-hosted by Sandia National Laboratory (Sandia) and the Council on Strategic Risks (CSR) in August 2020, the discussion involved experts who at that time were leading innovative efforts in various U.S. government agencies, industry, and academia sharing observations from their ongoing pandemic response efforts. Based on the input by these expert participants, it is clear that even though the pandemic response is ongoing, the following recommendations will be important to consider for more successfully addressing biological threats in the future: Continue building on the cross-sector collaboration and agility shown in the COVID-19 response; Expand capabilities for detecting biological threats early; Prioritize ways to create and disseminate medical countermeasures even faster; Create the U.S. bio industrial base needed for rapid response to biological threats, and keep it healthy; and, Major government reorganization may not be needed if there is effective work to form coalitions, improve coordination, and expand steady-state and surge capacities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Mechanistic and Kinetic Analysis of Complete Methane Oxidation on a Practical PtPd/Al 2 O 3 Catalyst

A PtPd/Al 2 O 3 catalyst developed for the complete oxidation of methane from the ventilation air of underground coal mines is compared against a model PdO/Al 2 O 3 catalyst. Although the PtPd/Al 2 O 3 catalyst is substantially more active and stable than the model catalyst, the nature of active sites between the two catalysts is deemed to be fundamentally the same based on their response to different feed gas compositions and the evolution of surface CO adsorption complexes during time-resolved CO adsorption DRIFTS experiment. For both catalysts, coordinatively unsaturated Pd sites are considered the active centers for methane activation and the subsequent oxidation reaction. H 2 O competes with CH 4 for the same active sites, resulting in severe inhibition. Additionally, the CH 4 oxidation reaction also causes self-inhibition. Taking both inhibition effects into consideration, a relatively simple kinetic model is developed. The model provides a good fit of the 72 sets of kinetic data collected on the PtPd/Al 2 O 3 catalyst under practically relevant reaction conditions with CH 4 concentration in the range of 0.05–0.4%, H 2 O concentration of 1.0–5.0%, and reaction temperatures of 450–700 °C. Kinetic parameters based on the model suggest that the CH 4 activation energy on the PtPd/Al 2 O 3 catalyst is 96.7 kJ/mol, and the H 2 O adsorption energy is –31.0 kJ/mol. Both values are consistent with the parameters reported in the literature. The model can be used to develop catalyst sizing guidelines and be incorporated into the control algorithm of the catalytic system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Systems and methods for randomized energy draw or supply requests

The present disclosure can provide a distributed and anonymous approach to demand response of an electricity system. The approach can conceptualize energy consumption and production of distributed-energy resources (DERs) via discrete energy packets that are coordinated by a cyber computing entity that grants or denies energy packet requests from the DERs. The approach leverages a condition of a DER, which is particularly useful for (1) thermostatically-controlled loads, (2) non-thermostatic conditionally-controlled loads, and (3) bi-directional distributed energy storage systems, among others. In a first aspect of the present approach, each DER independently requests the authority to switch on for a fixed amount of time (i.e., packet duration). The coordinator determines whether to grant or deny each request based electric grid and/or energy or power market conditions. In a second aspect, bi-directional DERs, such as distributed-energy storage systems (DESSs) are further able to request to supply energy to the grid.

Frolik, Jeff↗

Impact of Quaternary Pumped Storage Hydropower on Frequency Response of U.S. Western Interconnection with High Renewable Penetrations

As renewable penetration increases in the United States, maintaining stability and reliability of low-inertia power grid by providing sufficient frequency control capability becomes a challenge. Advanced pumped storage hydro technologies (APSH) will be expected to play an important role for future grid as not only an energy supplier, but also as an ancillary services provider. This paper studies the impact of using quaternary pumped storage hydropower (Q-PSH), as one of the newly proposed APSH technology, to provide primary frequency response. To quantify the impact of Q-PSH on frequency response of the U.S. Western Interconnection, a user-defined dynamic model of Q-PSH is developed on the GE Positive Sequence Load Flow (PSLF) platform and is implemented in a set of detailed U.S. Western Electricity Coordination Council (WECC) planning cases in which renewable penetration levels are 20%, 40%, 60% and 80%. Simulation results show that Q-PSH can help improve frequency nadir and settling frequency comparing to the conventional PSH.

frequency response↗

Impact of Quaternary-Pumped Storage Hydropower on Frequency Response of U.S. Western Interconnection with High Renewable Penetrations: Preprint

As renewable penetration increases in the United States, maintaining stability and reliability of low-inertia power grid by providing sufficient frequency control capability becomes a challenge. Advanced pumped storage hydro technologies (APSH) will be expected to play an important role for future grid as not only an energy supplier, but also as an ancillary services provider. This paper studies the impact of using quaternary pumped storage hydropower (Q-PSH), as one of the newly proposed APSH technology, to provide primary frequency response. To quantify the impact of Q-PSH on frequency response of the U.S. Western Interconnection, a user-defined dynamic model of Q-PSH is developed on the GE Positive Sequence Load Flow (PSLF) platform and is implemented in a set of detailed U.S. Western Electricity Coordination Council (WECC) planning cases in which renewable penetration levels are 20%, 40%, 60% and 80%. Simulation results show that Q-PSH can help improve frequency nadir and settling frequency comparing to the conventional PSH.

frequency response↗

Assessing the performance of global thermostat adjustment in commercial buildings for load shifting demand response

Abstract Efficiently leveraging new sources of flexibility is critical to mitigating load balancing challenges posed by variable renewable resources. The thermal inertia of commercial buildings allows us to shift their power consumption on minute to hourly timescales to provide demand response to the grid while maintaining occupant comfort. Global thermostat adjustment (GTA) provides a readily available and scalable approach for implementing load shifting demand response using commercial heating, ventilation, and air conditioning (HVAC) systems, since it leverages the inherent sophistication of modern building automation systems. However, there is an incomplete understanding of GTA’s performance for this purpose and its impact on building systems and occupant comfort. In this paper, we explore the performance of GTA by analyzing results from nearly nine hundred experiments on eight university campus buildings in Michigan and North Carolina. Using GTA, we manipulate each building’s thermostat setpoints causing the building to shift its power consumption with respect to its baseline. We quantify the magnitude of HVAC power response, energy use of HVAC subsystems, and impact on occupant comfort. Finally, we connect our experimental results with power system operation using an optimization model that coordinates GTA actions across a large collection of grid-interactive efficient buildings (GEBs) to reduce high ramp rates on the grid and mitigate renewable energy curtailment. Overall, our work finds that the impacts on HVAC subsystems are often complex, and may result in additional energy being consumed by fans and terminal reheat. These effects must be considered when using GTA for load shifting. Additionally, we demonstrate that occupant comfort, as assessed by indoor temperature and humidity, can be maintained during GTA events. From a societal perspective, our modeling work finds that the additional renewable energy that can be integrated through the use of GTA strategies eclipses any additional energy consumed by buildings.

Keskar, Aditya (ORCID:0000000244617980)↗

Robust and optimal alignment of high-dimensional data using maximum likelihood estimation through a random sample consensus framework

Abstract Correcting spatial orientations of groups of high-dimensional data sets such that they are all in a consistent coordinate system is often a time-consuming and error-prone process. Automation of this process can be accomplished by using Generalized Procrustes Analysis to estimate the relative orientations among a population of high-dimensional data sets. A least squares Procrustes solution is applied through a maximum likelihood estimation and random sample consensus framework for robustness. The likelihood model is comprised of a mixture distribution where inliers are modeled using t -distribution and outliers from a uniform distribution. Applications will focus on a synthetic data set that emulates triaxial acceleration data and also real shock data from a population of triaxial accelerometers. Outliers represent either non-rigid body responses, environmental noise, and/or sensor and data acquisition issues. The intended application for the methodology is to robustly automate the rotation of populations of experimentally collected triaxial accelerometer data sets to a single global coordinate system.

LOSAC↗