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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 487 records · Page 27

A Functional Interpolation Approach to Compute Period Orbits in the Circular Restricted Three-body Problem

In this paper, we develop a method to solve for periodic orbits, i.e., Lyapunov and Halo orbits, using a functional interpolation scheme called the Theory of Func- tional Connections (TFC). Using this technique, a periodic constraint is analyti- cally embedded into the TFC constrained expression. By doing this, the system of differential equations governing the three-body problem is transformed into an unconstrained optimization problem where simple numerical schemes can be used to find a solution, e.g., nonlinear least-squares is used. This allows for a simpler numerical implementation with comparable accuracy and speed to the traditional differential corrector method.

Mortari, Daniele↗

Microbial metabolic dependency and its impacts on the soil carbon cycle (Final Technical Report, DE-SC0016364)

The terrestrial biosphere contains a large fraction of global carbon (C) and nearly 70% of the organic C in terrestrial systems is found in soils. Global changes in atmospheric CO 2 , temperature, precipitation, and ecosystem N inputs, will impact primary production and carbon inputs to soils, but it remains difficult to predict soil responses to these environmental conditions. Our ability to predict C-cycle responses to global change remains limited by unexplained variability within the terrestrial C-cycle. Our difficulty in predicting responses of the soil C-cycle to environmental change suggests a need for a greater understanding of the biotic mechanisms that govern soil C-transformations. Changes in microbial community structure and function have been proposed to impact soil processes, but mechanistic connections between microbial activity and C-cycle transformations remain poorly described. We assembled an interdisciplinary team to conduct cross-scale examination of microbial contributions to C-cycle dynamics and C-fate in soils. We investigated microbial contributions to soil C-transformations using a suite of complementary isotopic techniques including DNA-Stable Isotope Probing (DNA-SIP), metagenomic-SIP, metabolomic-SIP, proteomic-SIP, and microspatial analysis of soil organic C. These techniques were deployed in experiments that tested fundamental assumptions that underlie terrestrial C-cycle models. We characterized the functional characteristics of soil microorganisms responsible for major C-transformations in soil, evaluated the metabolic and ecological interactions that underlie soil C-cycle dynamics, and evaluated the degree to which these interactions impact rates of C mineralization and stabilization in soils.

54 ENVIRONMENTAL SCIENCES↗

Application of vector-valued rational approximations to the matrix eigenvalue problem and connections with Krylov subspace methods

Let F(z) be a vectored-valued function F: C approaches C sup N, which is analytic at z=0 and meromorphic in a neighborhood of z=0, and let its Maclaurin series be given. We use vector-valued rational approximation procedures for F(z) that are based on its Maclaurin series in conjunction with power iterations to develop bona fide generalizations of the power method for an arbitrary N X N matrix that may be diagonalizable or not. These generalizations can be used to obtain simultaneously several of the largest distinct eigenvalues and the corresponding invariant subspaces, and present a detailed convergence theory for them. In addition, it is shown that the generalized power methods of this work are equivalent to some Krylov subspace methods, among them the methods of Arnoldi and Lanczos. Thus, the theory provides a set of completely new results and constructions for these Krylov subspace methods. This theory suggests at the same time a new mode of usage for these Krylov subspace methods that were observed to possess computational advantages over their common mode of usage.

Sidi, Avram↗

An Ab Initio Study of CuCO

Modified coupled-pair functional (MCPF) calculations and coupled cluster singles and doubles calculations, which include a perturbational estimate of the connected triples [CCSD(T)], yield a bent structure for CuCO, thus, supporting the prediction of a nonlinear structure based on density functional (DF) calculations. Our best estimate for the binding energy is 4.9 +/- 1.4 kcal/mol; this is in better agreement with experiment (6.0 +/- 1.2 kcal/mol) than the DF approach which yields a value (19.6 kcal/mol) significantly larger than experiment.

Bauschlicher, Charles W., Jr.↗

Data-Centric Approach to Capture Non-Polynomial Nonlinear Dynamics

We propose an analytical construction of observable functions in the extended dynamic mode decomposition (EDMD) algorithm. EDMD is a numerical method for approximating the spectral properties of the Koopman operator. The choice of observable functions is fundamental for applying EDMD to nonlinear problems arising in systems and control. Existing methods either start from a set of dictionary functions and look for the subset that best fits the underlying nonlinear dynamics or rely on machine learning algorithms to “learn” observable functions. Conversely, in this paper, we start from the dynamical system model and lift it through the Lie derivatives, rendering it into a polynomial form. This proposed transformation into a polynomial form is exact and provides an adequate set of observable functions. The strength of the proposed approach is its applicability to a broader class of nonlinear dynamical systems, particularly those with nonpolynomial functions and compositions thereof. Moreover, it retains the physical interpretability of the underlying dynamical system and can be readily integrated into existing numerical libraries. We demonstrate the proposed approach with an application to electric power systems. The modeled system consists of a single generator connected to an infinite bus, where nonlinear terms include sine and cosine functions. The results demonstrate the effectiveness of the proposed procedure in off-attractor nonlinear dynamics for estimation and prediction; the observable functions obtained from the proposed construction outperform methods that use dictionary functions comprising monomials or radial basis functions.

extended dynamic mode decomposition↗

Elongated particles in flow: commentary on small-angle scattering investigations

Here, this work thoroughly examines several analytical tools, each possessing a different level of mathematical intricacy, for the purpose of characterizing the orientation distribution function of elongated objects under flow. Our investigation places an emphasis on connecting the orientation distribution to the small-angle scattering spectra measured experimentally. The diverse range of mathematical approaches investigated herein provide insights into the flow behavior of elongated particles from different perspectives and serve as powerful tools for elucidating the complex interplay between flow dynamics and the orientation distribution function.

36 MATERIALS SCIENCE↗

Homo- and hetero-dimeric subunit interactions set affinity and efficacy in metabotropic glutamate receptors

Metabotropic glutamate receptors (mGluRs) are dimeric class C G-protein–coupled receptors that operate in glia and neurons. Glutamate affinity and efficacy vary greatly between the eight mGluRs. The molecular basis of this diversity is not understood. We used single-molecule fluorescence energy transfer to monitor the structural rearrangements of activation in the mGluR ligand binding domain (LBD). In saturating glutamate, group II homodimers fully occupy the activated LBD conformation (full efficacy) but homodimers of group III mGluRs do not. Strikingly, the reduced efficacy of Group III homodimers does not arise from differences in the glutamate binding pocket but, instead, from interactions within the extracellular dimerization interface that impede active state occupancy. By contrast, the functionally boosted mGluR II/III heterodimers lack these interface ‘brakes’ to activation and heterodimer asymmetry in the flexibility of a disulfide loop connecting LBDs greatly favors occupancy of the activated conformation. Our results suggest that dimerization interface interactions generate substantial functional diversity by differentially stabilizing the activated conformation. This diversity may optimize mGluR responsiveness for the distinct spatio-temporal profiles of synaptic versus extrasynaptic glutamate.

59 BASIC BIOLOGICAL SCIENCES↗

Feasibility of Decentralized Linear-Quadratic-Gaussian Control of Autonomous Distributed Spacecraft

A distributed satellite formation, modeled as an arbitrary number of fully connected nodes in a network, could be controlled using a decentralized controller framework that distributes operations in parallel over the network. For such problems, a solution that minimizes data transmission requirements, in the context of linear-quadratic-Gaussian (LQG) control theory, was given by Speyer. This approach is advantageous because it is non-hierarchical, detected failures gracefully degrade system performance, fewer local computations are required than for a centralized controller, and it is optimal with respect to the standard LQG cost function. Disadvantages of the approach are the need for a fully connected communications network, the total operations performed over all the nodes are greater than for a centralized controller, and the approach is formulated for linear time-invariant systems. To investigate the feasibility of the decentralized approach to satellite formation flying, a simple centralized LQG design for a spacecraft orbit control problem is adapted to the decentralized framework. The simple design uses a fixed reference trajectory (an equatorial, Keplerian, circular orbit), and by appropriate choice of coordinates and measurements is formulated as a linear time-invariant system.

Carpenter, J. Russell↗

Feasibility of Decentralized Linear-Quadratic-Gaussian Control of Autonomous Distributed Spacecraft

A distributed satellite formation, modeled as an arbitrary number of fully connected nodes in a network, could be controlled using a decentralized controller framework that distributes operations in parallel over the network. For such problems, a solution that minimizes data transmission requirements, in the context of linear-quadratic-Gaussian (LQG) control theory, was given by Speyer. This approach is advantageous because it is non-hierarchical, detected failures gracefully degrade system performance, fewer local computations are required than for a centralized controller, and it is optimal with respect to the standard LQG cost function. Disadvantages of the approach are the need for a fully connected communications network, the total operations performed over all the nodes are greater than for a centralized controller, and the approach is formulated for linear time-invariant systems. To investigate the feasibility of the decentralized approach to satellite formation flying, a simple centralized LQG design for a spacecraft orbit control problem is adapted to the decentralized framework. The simple design uses a fixed reference trajectory (an equatorial, Keplerian, circular orbit), and by appropriate choice of coordinates and measurements is formulated as a linear time-invariant system.

Carpenter, J. Russell↗

A Cybersecurity Threat Profile for a Connected Lighting System

In anticipation of improved energy performance and cost savings, cities and building owners are increasingly considering “smart lighting initiatives” that aim to convert their collection of simple luminaires (i.e., lighting fixtures) into an intelligent connected lighting system (CLS) capable of remotely monitoring energy consumption and fault conditions, and possibly implementing adaptive lighting schemes. The U.S. Department of Energy (DOE) has set an national goal of tripling the energy efficiency and demand flexibility of the buildings sector by 2030, relative to 2020 levels 1. It is forecast that connected lighting systems can contribute to that goal by delivering 125 TWh of annual energy savings by 2035 2, equivalent to the annual output of 50 typical (500 MW) power plants. However, these energy savings and the DOE goal are put at significant risk if connected technologies are not adopted due to real or perceived cybersecurity concerns. Connected IoT devices such as these have historically been rife with vulnerabilities which sometimes put security considerations secondary to functionality and operability. What are the cybersecurity threats that will impact these systems, as formerly banal luminaires transition into intelligent connected devices that collect information about themselves, their surrounding environment, and possibly us? In this paper we analyze a threat profile performed on a fault-detection use case for streetlights. A threat profile establishes security requirements, justifies security measures, yields actionable controls, and effectively communicates risk to stakeholders. This effort provides critical information for making threat-based decisions to increase security at a reasonable cost, and can effectively be used by development teams, software architects, and managers to make cybersecurity a part of their ongoing culture of awareness, training, and prevention. This leads to more secure systems and better-understood security. On-premise, cloud, and hybrid architectures with different authentication mechanisms were modeled and later categorized using the Microsoft STRIDE framework. An analysis of the recommended controls for each threat was performed to determine which controls could and should be put in place by manufacturers or third-party suppliers, and which controls need to be left up the end-user to implement. Fifty-seven threats were identified. Among our key findings: (1) 65% (37/57) of the threats did not involve the luminaires, but rather the other components needed to communicate with and manage them; (2) 63% (36/57) of the threats could have been mitigated through manufacturer-implemented defensive techniques or “controls”; and (3) 23% (13/57) of the threats were dependent on the network configuration. Recommendations based on the results of this work are made to key stakeholder groups. Notably, lighting technology developers are advised to address all threats that can be reasonably controlled with baked-in technology solutions (e.g., encryption or authentication controls), and employ some form of secure supply chain management and tracking where other parts (e.g., sensors, microprocessors) of a luminaire must also be built and manufactured with the proper security controls in place. Developers should also review threats involving assets not developed in-house to understand how connectivity with other devices will affect their product during system operation and determine if a compensating control for a defense-in-depth strategy will be needed. Finally, those interested in deploying CLS should compare the differences between cloud and on-premise models to determine which is more suitable for their needs and the abilities of their security team.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

On the Source of Conductivity in Alkaline Zn Anodes: Zn Percolation and ZnO Bridging

Alkaline Zn anodes are fundamental to commercial Zn-MnO 2 batteries as well as emerging rechargeable designs. In these electrodes, Zn particles are both the active material and source of electronic conduction. However, there are known cases in which electronic connectivity between Zn particles or the current collecting pin is lost even though the battery continues to function. Here we use X-ray computed tomography (CT) of AA batteries to demonstrate several examples of Zn particle-to-particle connectivity breakdown, which is observed even in cases at relatively high discharge rate. This indicates maintenance of the electronic network through the less-conductive ZnO discharge product. We introduce a new equation for electronic conductivity maintained through bridges of ZnO formed between percolating Zn particles. This necessitates discarding the Bruggeman correlation and instead redefining effective electronic conductivity using percolation theory. We demonstrate that such a model for conduction enables prediction of an inverted reaction zone, which is an experimentally observed case in which significant Zn dissolution and ZnO formation occurs heavily near the current collecting pin. Current computational Zn-MnO 2 models never predict an inverted reaction zone, and thus the updated conductivity enables models to accurately explain a wider range of experimental conditions.

Guida, Dominick P. [Northeastern Univ., Boston, MA↗

Reliable Spectroscopic Constants for CCH-, NH2- and Their Isotopomers from an Accurate Potential Energy Function

Accurate quartic force fields have been determined for the CCH- and NH2- molecular anions using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). Very large one-particle basis sets have been used including diffuse functions and up through g-type functions. Correlation of the nitrogen and carbon core electrons has been included, as well as other "small" effects, such as the diagonal Born-Oppenheimer correction, and basis set extrapolation, and corrections for higher-order correlation effects and scalar relativistic effects. Fundamental vibrational frequencies have been computed using standard second-order perturbation theory as well as variational methods. Comparison with the available experimental data is presented and discussed. The implications of our research for the astronomical observation of molecular anions will be discussed.

Lee, Timothy J.↗

The connectome of the adult Drosophila mushroom body provides insights into function

Making inferences about the computations performed by neuronal circuits from synapse-level connectivity maps is an emerging opportunity in neuroscience. The mushroom body (MB) is well positioned for developing and testing such an approach due to its conserved neuronal architecture, recently completed dense connectome, and extensive prior experimental studies of its roles in learning, memory, and activity regulation. Here, we identify new components of the MB circuit in Drosophila , including extensive visual input and MB output neurons (MBONs) with direct connections to descending neurons. We find unexpected structure in sensory inputs, in the transfer of information about different sensory modalities to MBONs, and in the modulation of that transfer by dopaminergic neurons (DANs). We provide insights into the circuitry used to integrate MB outputs, connectivity between the MB and the central complex and inputs to DANs, including feedback from MBONs. Our results provide a foundation for further theoretical and experimental work.

Li, Feng↗

Sizing and Location Selection of Medium‐Voltage Back‐to‐Back Converters for DER‐Dominated Distribution Systems

Medium‐voltage back‐to‐back (MVB2B) converters can connect two distribution systems and quantifiably transfer power between them. This function can enable the MVB2B converter to exchange distributed energy resource (DER)‐generated power between two systems and bring significant value to enhancing distribution system DER adoption. Our previous work analysed and demonstrated the value MVB2B converter can bring to DER integration. As continuous work, this paper presents a methodology that helps address the MVB2B converter sizing and location selection problem in distribution systems with high DER penetrations. The proposed methodology aims to address three critical problems for MVB2B converter implementation in the real world: (1) which distribution systems are better to be connected, (2) what converter size is appropriate for connecting the distribution systems, and (3) where the optimal connection points are in the systems for connecting the MVB2B converter. The proposed methodology has been demonstrated by case studies that include various scenarios involving distribution systems with different dominated load types and high photovoltaic penetrations. The results demonstrate that selecting the optimal converter size based on net revenue and time of return considerations leads to a balance between maximizing energy savings and minimizing financial payback periods. Furthermore, feeder pair selection based on load profile standard deviation effectively identifies systems that derive the greatest value from MVB2B integration. Finally, an optimized connection point selection approach using a voltage load sensitivity matrix ensures minimal system impact while facilitating efficient power exchange. These findings provide practical insights for the real‐world deployment of MVB2B converters to enhance DER hosting capacity and improve grid resilience.

14 SOLAR ENERGY↗

Experimental determination of the temperature-dependent Van Hove function in a Zr 80 Pt 20 liquid

Even though the viscosity is one of the most fundamental properties of liquids, the connection with the atomic structure of the liquid has proven elusive. By combining inelastic neutron scattering with the electrostatic levitation technique, the time-dependent pair-distribution function (i.e., the Van Hove function) has been determined for liquid Zr 80 Pt 20 . We show that the decay time of the first peak of the Van Hove function is directly related to the Maxwell relaxation time of the liquid, which is proportional to the shear viscosity. This result demonstrates that the local dynamics for increasing or decreasing the coordination number of local clusters by one determines the viscosity at high temperature, supporting earlier predictions from molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cost optimization of high recovery single stage gap membrane distillation

Estimating the cost of membrane distillation (MD) processes at scale is confounded by the vast array of possible process configurations, module configurations, and operating conditions and the extreme sensitivity of MD costs to these parameters. This work develops a comprehensive MD cost optimization framework for minimizing the levelized cost of water (LCOW) as a function of feed salinity and temperature. Our single stage gap MD model fully captures solution properties, heat transfer, and mass transfer relationships in the modules to determine the cost optimal design as a function of multiple decision variables, including process configuration (feed location and connectivity between the hot and cold-side), the gap type (air, permeate, conductive), equipment sizes (membrane, heater, chiller, and heat exchanger units), and operating conditions (flow rates, hot and cold side temperatures, and heating and cooling duties). We estimate that the minimum LCOW of conductive gap MD ranges between $\$$10 and $\$$16 per m 3 for feed salinities of 25 g/L to 200 g/L and water recoveries of 30%–75%. Further, we update several heuristic assumptions for cost optimal system operation, including: increased thermal conductivity of the gap decreases system costs; cost optimal MD operates at the highest allowable temperature; and the LCOW is a strong function of brine salinity. Finally, we find that improving membrane properties and lowering heating and cooling costs will provide only modest reductions in costs (<25%).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of building heat distribution temperatures on the energy performance and sizing of 5th generation district heating and cooling networks

This paper investigates the energy performance and sizing criteria of 5th generation district heating and cooling (5GDHC) networks as a function of the heat distribution temperature in the building systems connected to the district network. An energy simulation model of a 5GDHC network was developed in Modelica for a case study located in Denmark. Calculations were carried out for four different building heating systems. Simulation results show that reducing the heat distribution temperatures from 70 °C to 23 °C leads to around 40% annual electric energy savings (from 10.4 kWh/m 2 to 6.2 kWh/m 2 ) for the operation of the heat pumps. Heat distribution temperatures of 23 °C cause higher water mass flow rates through the network, leading to annual electric energy consumption for the circulation pumps that are almost doubled (from 0.16 kWh/m 2 to 0.3 kWh/m 2 ) compared to the reference case at 70 °C. Furthermore, the paper discusses how the results obtained from the Danish case study can be generalized and applied to other cases using a simplified mathematical approach. In conclusion, it is found that about 1.5% of electric energy savings can be achieved for each temperature degree reduction in the heat distribution system.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗