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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Impact of hygrothermal aging on structure/function relationship of perfluorosulfonic-acid membrane

Perfluorosulfonic-acid (PFSA) membranes are widely used as the solid electrolyte in electrochemical devices where their main functionalities are ion (proton) conduction and gas separation in a thermomechanically stable matrix. Due to prolonged operational requirements in these devices, PFSA membranes’ properties change with time due to hygrothermal aging. This paper studies the evolution of PFSA structure/property relationship changes during hygrothermal aging, including chemical changes leading to changes in ion-exchange capacity (IEC), nanostructure, water-uptake behavior, conductivity, and mechanical properties. Our findings demonstrate that with hygrothermal aging, the storage modulus increases, while IEC and water content decrease, consistent with the changes in nanostructure, that is, water- and crystalline-domain spacings inferred from small- and wide-angle X-ray scattering (SAXS/WAXS) experiments. In addition, the impact of aging is found to depend on the membrane's thermal prehistory and post-treatments, although universal correlations exist between nanostructural changes and water uptake. Lastly, the findings have impact on understanding lifetime, durability, and use of these and related polymers in various technologies.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Binary and Ternary Colloidal Cu–Sn–Te Nanocrystals for Thermoelectric Thin Films

Recent advances in copper chalcogenide-based nanocrystals (NCs), copper sulfide, and copper selenide derived nanostructures, have drawn considerable attention. However, reports of crystal phase and shape engineering of binary or ternary copper telluride NCs remain rare. Here, a colloidal hot-injection approach for producing binary copper/tin telluride, and ternary copper tin telluride NCs with controllable compositions, crystal structures, and morphologies is reported. Here, the crystal phase and growth behavior of these tellurides are systematically studied from both experimental and theoretical perspectives.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Dynamic In‐Plane Heterogeneous and Inverted Response of Graphite to Fast Charging and Discharging Conditions in Lithium‐Ion Pouch Cells

Solutions for improving fast charging of lithium‐ion batteries have largely focused on alleviating through‐plane lithiation gradients while little is understood about in‐plane heterogeneities and how to resolve them. Herein, high‐speed synchrotron X‐ray diffraction (XRD) resolves graphite lithiation spatially and temporally during 6 C charging and 2 C discharging. At every point during operation, considerable differences in the state of lithiation across the pouch cell are present. Some regions are more responsive to operation than others, reaching full lithiation early during charge and full delithiation during discharge. Other regions within the cell never fully delithiate during discharge, despite a prolonged voltage hold at 2.8 V. Using time‐resolved XRD data, the calculated local current density (mA cm −2 ) at the graphite surface shows an unexpected occurrence of local inverted current densities where regions of graphite are observed to delithiate during charging and lithiate during discharging. A pseudo‐3D model is developed for the graphite electrode with spatially varying microstructural tortuosity to show how microstructural heterogeneity could influence spatial charge dynamics. The model could not predict the complex in‐plane charge behavior observed within the cell. Consequently physics‐based charging protocols based on homogeneous electrode assumptions may underestimate the local variations in charge dynamics and occurrence of lithium plating.

25 ENERGY STORAGE↗
DOE OSTI2020

Influence of Hyperfine Coupling Strain on Two-Dimensional ESEEM Spectra from I = 1/2 Nuclei

HYSCORE, a variant of two-dimensional ESEEM spectroscopy, is currently one of the most effective tools in high-resolution solid-state EPR spectroscopy. Our systematic studies of hydrogen bonds with semiquinones in 15 N-labeled proteins have previously provided us with an extensive collection of 15 N HYSCORE spectra produced by N–H…O nitrogen donors. Examination of these spectra has indicated in several cases lineshape distortions not described by available theoretical models. We were able to explain all observed artificial phenomena in the 15 N spectra of semiquinones considering a single mechanism—strain of the isotropic hyperfine interaction. In this review article, we introduce the HYSCORE experiment and the theoretical background for spectra of I = 1/2 nuclei in orientation-disordered samples. We then present a description of the observed lineshape distortions and an explanation of the hyperfine strain’s influence on the experimental spectra. In the final part of the article, we discuss (i) similar lineshape distortions found in previously published spectra from 15 N, 29 Si, 31 P, and 57 Fe nuclei that can be explained using the approach applied for the analysis of the 15 N spectra of semiquinones, and (ii) a recently published analysis of 31P spectra with a different type of lineshape distortion based on a more sophisticated method, where the strength of anisotropic coupling is correlated with the sign and value of the isotropic constant in different conformations of a Cu(II) complex.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Development of Chitosan Membranes as a Potential PEMFC Electrolyte

Commercial chitosan and chitosan extracted from shrimp shells are being used to design membranes to be tested as low cost electrolyte in PEM fuel cells. This study investigated the influence of the deacetylation degree (DD) and molar mass (M{sub V}) of the chitosans used in the composition of membranes on its performance regarding to proton conductivity and other properties. Preliminary results indicate that the chitosan extracted from shrimp shells generated membranes with promising properties such as proton conductivity, which demonstrated to be even a 100 times higher than those shown by commercial chitosan membranes. The significant increase in proton conductivity can be associated with the higher number and availability of amino groups (–NH{sub 2}) in the chitosan produced in the laboratory, which presents higher DD and lower M{sub V}. It is believed that the properties of chitosan can be manipulated in such a way that it would be possible to obtain proton conductivity values closer to that presented by Nafion{sup ®}.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

Solving security constrained optimal power flow problems by a structure exploiting interior point method

In this paper we present a new approach to solve the DC (n - 1) security constrained optimal power flow (SCOPF) problem by a structure exploiting interior point solver. Our approach is based on a reformulation of the linearised SCOPF model, in which most matrices that need to be factorized are constant. Hence, most factorizations and a large number of back-solve operations only need to be performed once. However, assembling the Schur complement matrix remains expensive in this scheme. To reduce the effort, we suggest using a preconditioned iterative method to solve the corresponding linear system. We suggest two main schemes to pick a good and robust preconditioner based on combining different “active” contingency scenarios of the SCOPF model. These new schemes are implemented within the object-oriented parallel solver (OOPS), a structure-exploiting primal-dual interior-point implementation. We give results on several SCOPF test problems. The largest example contains 500 buses. We compare the results from the original interior point method (IPM) implementation in OOPS and our new reformulation.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Optimal mitigation and control over power system dynamics for stochastic grid resilience

Optimal mitigation planning for highly disruptive contingencies to a transmission-level power system requires optimization with dynamic power system constraints, due to the key role of dynamics in system stability to major perturbations. We formulate a generalized disjunctive program to determine optimal grid component hardening choices for protecting against major failures, with differential algebraic constraints representing system dynamics (specifically, differential equations representing generator and load behavior and algebraic equations representing instantaneous power balance over the transmission system). We optionally allow stochastic optimal pre-positioning across all considered failure scenarios, and optimal emergency control within each scenario. This novel formulation allows, for the first time, analyzing the resilience interdependencies of mitigation planning, preventive control, and emergency control. Using all three strategies in concert is particularly effective at maintaining robust power system operation under severe contingencies, as we demonstrate on the western system coordinating council 9-bus test system using synthetic multi-device outage scenarios.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2017

A behavioral choice model of the use of car-sharing and ride-sourcing services

There are a number of disruptive mobility services that are increasingly finding their way into the marketplace. Two key examples of such services are car-sharing services and ride-sourcing services. In an effort to better understand the influence of various exogenous socio-economic and demographic variables on the frequency of use of ride-sourcing and car-sharing services, this paper presents a bivariate ordered probit model estimated on a survey data set derived from the 2014-2015 Puget Sound Regional Travel Study. Model estimation results show that users of these services tend to be young, well-educated, higher-income, working individuals residing in higher-density areas. There are significant interaction effects reflecting the influence of children and the built environment on disruptive mobility service usage. The model developed in this paper provides key insights into factors affecting market penetration of these services, and can be integrated in larger travel forecasting model systems to better predict the adoption and use of mobility-on-demand services.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Representing heterogeneity in structural relationships among multiple choice variables using a latent segmentation approach

Travel model systems often adopt a single decision structure that links several activity-travel choices together. The single decision structure is then used to predict activity-travel choices, with those downstream in the decision-making chain influenced by those upstream in the sequence. The adoption of a singular sequential causal structure to depict relationships among activity-travel choices in travel demand model systems ignores the possibility that some choices are made jointly as a bundle as well as the possible presence of structural heterogeneity in the population with respect to decision-making processes. As different segments in the population may adopt and follow different causal decision-making mechanisms when making selected choices jointly, it would be of value to develop simultaneous equations model systems relating multiple endogenous choice variables that are able to identify population subgroups following alternative causal decision structures. Because the segments are not known a priori, they are considered latent and determined endogenously within a joint modeling framework proposed in this paper. The methodology is applied to a national mobility survey data set to identify population segments that follow different causal structures relating residential location choice, vehicle ownership, and car-share and mobility service usage. It is found that the model revealing three distinct latent segments best describes the data, confirming the efficacy of the modeling approach and the existence of structural heterogeneity in decision-making in the population. Future versions of activity-travel model systems should strive to incorporate such structural heterogeneity to better reflect varying decision processes across population subgroups.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

A Modeling Approach for Time-Dependent Geometry Applied to Transient Heat Transfer of Aluminum Electrolysis Cells

The thermal balance of aluminum electrolysis cells (AEC) have to be rigorously controlled in order to improve the efficiency and sustainability of this industrial process. A new modeling strategy is developed to consider the displacements of solid bodies and moving boundaries in finite element models. The transient thermal-electric modeling of the AEC demonstrates the effect of an increase in operating voltage on both the anode cover and the side ledge. With higher heat generation, the anode cover deteriorates and the side ledge thickness decreases. Since the anode cover is characterized by irreversible transformations, the top heat dissipation remains higher even when the operating voltage comes back to its typical value. For the first time, the transient temperature and electric fields throughout the anode life are simulated and validated by industrial measurements. The modeling predictions have been validated from instrumented anodes and manual measurements, all performed on operating AEC.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2017

Near-field radiative thermoelectric energy converters: a review

Radiative thermoelectric energy converters, which include thermophotovoltaic cells, thermoradiative cells, electroluminescent refrigerators, and negative electroluminescent refrigerators, are semiconductor p-n devices that either generate electricity or extract heat from a cold body while exchanging thermal radiation with their surroundings. If this exchange occurs at micro or nanoscale distances, power densities can be greatly enhanced and near-field radiation effects may improve performance. This Review covers the fundamentals of near-field thermal radiation, photon entropy, and nonequilibrium effects in semiconductor diodes that underpin device operation. The development and state-of-the art of these near-field converters are discussed in detail. In conclusion, remaining challenges and opportunities for progress are identified.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2017

Best Practices and Testing Protocols for Benchmarking ORR Activities of Fuel Cell Electrocatalysts Using Rotating Disk Electrode

Abstract Thin-film-rotating disk electrodes (TF-RDEs) are the half-cell electrochemical system of choice for rapid screening of oxygen reduction reaction (ORR) activity of novel Pt supported on carbon black supports (Pt/C) electrocatalysts. It has been shown that the magnitude of the measured ORR activity and reproducibility are highly dependent on the system cleanliness, evaluation protocols, and operating conditions as well as ink formulation, composition, film drying, and the resultant film thickness and uniformity. Accurate benchmarks of baseline Pt/C catalysts evaluated using standardized protocols and best practices are necessary to expedite ultra-low-platinum group metal (PGM) catalyst development that is crucial for the imminent commercialization of fuel cell vehicles. We report results of evaluation in three independent laboratories of Pt/C electrocatalysts provided by commercial fuel cell catalyst manufacturers (Johnson Matthey, Umicore, Tanaka Kikinzoku Kogyo—TKK). The studies were conducted using identical evaluation protocols/ink formulation/film fabrication albeit employing unique electrochemical cell designs specific to each laboratory. The ORR activities reported in this work provide a baseline and criteria for selection and scale-up of novel high activity ORR electrocatalysts for implementation in proton exchange membrane fuel cells (PEMFCs).

Kocha, Shyam S.↗