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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

TEDS Test Plan for Performance Characterization of Packed-bed Thermal Energy Storage Unit

This report proposes a set of test plans for performance measurement and characterization of the packed-bed thermal energy storage (TES) unit for TEDS. The main goals of this test plan are three-fold: (i) support the high-fidelity data measurement for TEDS, (ii) characterize thermal and structural performance of the TEDS TES unit, and (iii) produce high quality validation-oriented data. To achieve the goals, it is first suggested to revisit the instrument calibration and data sampling protocols applied during the startup and commissioning tests of TEDS, based on the observation from the recent CFD validation study using the TEDS TES operational data. The uncertainty quantification of the thermal and hydraulic measurements is also suggested. Lastly, test matrices are provided for charge, discharge, and standby modes of the packed-bed TES unit, respectively, to characterize the thermal and structural performances during the envisioned TEDS operations.

25 ENERGY STORAGE↗
DOE OSTI2022

Black-to-Transmissive dual polymer complementary electrochromics with high coloration efficiency

In a complementary electrochromic device (ECD), both the anode and the cathode can synergistically change color in response to an electrical bias, allowing for a high coloration efficiency. Complementary ECD that can switch from black to transmissive state is rare, due to the difficulty of pairing two electrochromic electrodes. In this study, we report the construction of high coloration efficiency complementary ECDs by pairing polyazoisoindigo (PAI), an n-type electrochromic polymer that undergoes green-to-transmissive switching, with p-type magenta (ECP-M) and red (ECP-R) electrochromic polymers to obtain black-to-transmissive ECD. Physical modeling tool, COMSOL, is introduced for complementary color matching. Through balancing the charge densities of two electrochromic electrodes, black-to-transmissive ECDs with record-high coloration efficiencies of 688 cm 2 /C and 437 cm 2 /C have been achieved for PAI|ECP-M and PAI|ECP-R, respectively. This study provides a general protocol for the design and fabrication of complementary ECDs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dataset of mechanically induced thermal runaway measurement and severity level on Li-ion batteries

The deployment of Li-ion batteries covers a wide range of energy storage applications, from mobile phones, e-bikes, electric vehicles (EV) and stationary energy storage systems. However, safety issue such as thermal runaway is always one of the most important concerns to prevent Li-ion batteries from further market penetration. A standardized single-side indentation test protocol was developed to mechanically induce an internal short-circuit. The cell voltage, compressive load, indenter stroke, and temperature at the indentation point are measured in time series. The test data of each cell, along with cell parameters such as dimensions, mass, chemistry, state of charge (SOC), capacity, are integrated together to calculate a thermal runaway severity score from 0 to100. Complete data collection process including the original measured record, test method, severity score calculation scheme is presented in this article. The thermal runaway severity analysis and the more than 100 tested Li-ion battery records provide a good data source for further comparison and ranking of thermal runaway risks.

25 ENERGY STORAGE↗
DOE OSTI2022

Impacts of Solvent Washing on the Electrochemical Remediation of Commercial End-of-Life Cathodes

Changes to surface structure and chemistry occurring throughout the functional lifetime of lithium-ion batteries (LIBs) may impact the effectiveness of end-of-life rejuvenation methods. Solvent washing prior to electrochemical relithiation is shown to both increase relithiation efficacy and beneficially alter the interfacial chemistry of heavily degraded industrial cathode material. Four common solvents (acetone, diethyl carbonate, isopropyl alcohol, propylene carbonate) are employed to investigate the role of varying physicochemical solvent properties on the mechanism of capacity recovery. Electrochemical (dQ/dV, EIS), structural (XRD), and chemical (SPME-GC-MS) analysis techniques are employed to comprehensively analyze solvent-cathode interactions. Highly nucleophilic solvents (acetone, DEC) are found to reduce cathode charge-transfer impedance and enable stable impedance growth throughout subsequent cycling. The use of nucleophilic solvents under mechanically aggressive washing conditions may also enable the reintroduction of bulk lattice oxygen, thereby restoring anionic redox capacity. Further, the four solvents are found to selectively remove a subset of surface species from the aged cathode material, including residual electrolyte, additives, and electrolyte-additive reaction products, which are qualitatively analyzed. Surface species removal by each solvent is correlated with the electrochemical performance of the correspondingly washed cathode, highlighting the importance of an optimized washing protocol to effective remediation in the context of direct LIB recycling. For the material under study, the use of a simple acetone washing protocol prior to electrochemical relithiation enables up to 174% capacity recovery relative to unwashed/relithiated black mass.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

De Novo Design of a Highly Stable Ovoid TIM Barrel: Unlocking Pocket Shape towards Functional Design

The ability to finely control the structure of protein folds is an important prerequisite to functional protein design. The TIM barrel fold is an important target for these efforts as it is highly enriched for diverse functions in nature. Although a TIM barrel protein has been designed de novo, the ability to finely alter the curvature of the central beta barrel and the overall architecture of the fold remains elusive, limiting its utility for functional design. Here, we report the de novo design of a TIM barrel with ovoid (twofold) symmetry, drawing inspiration from natural beta and TIM barrels with ovoid curvature. We use an autoregressive backbone sampling strategy to implement our hypothesis for elongated barrel curvature, followed by an iterative enrichment sequence design protocol to obtain sequences which yield a high proportion of successfully folding designs. Designed sequences are highly stable and fold to the designed barrel curvature as determined by a 2.1 Å resolution crystal structure. The designs show robustness to drastic mutations, retaining high melting temperatures even when multiple charged residues are buried in the hydrophobic core or when the hydrophobic core is ablated to alanine. As a scaffold with a greater capacity for hosting diverse hydrogen bonding networks and installation of binding pockets or active sites, the ovoid TIM barrel represents a major step towards the de novo design of functional TIM barrels.

Chu, Alexander E.↗
DOE OSTI2022

Stabilizing and Improving Qubit Coherence by Engineering the Noise Spectrum of Two-Level Systems

Superconducting circuits are a leading platform for quantum computing. However, their coherence times are still limited and exhibit temporal fluctuations. Those phenomena are often attributed to the coupling between qubits and material defects that can be well described as an ensemble of two-level systems (TLSs). Among them, charge fluctuators inside amorphous oxide layers contribute to both low-frequency 1 / f charge noise and high-frequency dielectric loss, causing fast qubit dephasing and relaxation. Moreover, spectral diffusion from mutual TLS interactions varies the noise amplitude over time, fluctuating the qubit lifetime. Here, we propose to mitigate those harmful effects by engineering the relevant TLS noise spectral densities. Specifically, our protocols smooth the high-frequency noise spectrum and suppress the low-frequency noise amplitude via depolarizing and dephasing the TLSs, respectively. As a result, we predict a drastic stabilization in qubit lifetime and an increase in qubit pure dephasing time. Our detailed analysis of feasible experimental implementations shows that the improvement is not compromised by spurious coupling from the applied noise to the qubit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Leveraging Cell Expansion Sensing in State of Charge Estimation: Practical Considerations

Measurements such as current and terminal voltage that are typically used to determine the battery’s state of charge (SOC) are augmented with measured force associated with electrode expansion as the lithium intercalates in its structure. The combination of the sensed behavior is shown to improve SOC estimation even for the lithium ion iron phosphate (LFP) chemistry, where the voltage–SOC relation is flat (low slope) making SOC estimation using measured voltage difficult. For the LFP cells, the measured force has a non-monotonic F–SOC relationship. This presents a challenge for estimation as multiple force values can correspond to the same SOC. The traditional linear quadratic estimator can be driven to an incorrect SOC value. To address these difficulties, a novel switching estimation gain is used based on determining the operating region that corresponds to the actual SOC. Moreover, a drift in the measured force associated with a shift of the cell SOC–expansion behavior over time is addressed with a bias estimator for the force signal. The performance of Voltage-based (V) and Voltage and Force-based (V&F) SOC estimation algorithms are then compared and evaluated against a desired ±5% absolute error bound of the SOC using a dynamic stress test current protocol that tests the proposed estimation scheme across wide range of SOC and current rates.

25 ENERGY STORAGE↗
DOE OSTI2025

Marine Hydrogen Demonstration

This report summarizes Phase 1 of a project involving the design of a Floating Hydrogen Production and Dispensing Barge destined for the Port of San Francisco (SF). The H 2 Barge is designed to produce renewable H 2 at the rate of ~ 530 kg/day, storing 512 kg of hydrogen at 517-bar, allowing fast refueling of hydrogen fuel cell vessels and land-side hydrogen delivery trailers for distribution into the nascent SF hydrogen ecosystem. The broader considerations that impacted the H2 Barge design are also described. An account is given of a new review process formulated by the United States Coast Guard (USCG) to review this first-of-its-kind maritime implementation of hydrogen technology. The immediate goals of the H 2 Barge Project are to 1) demonstrate the feasibility, viability and methods of hydrogen production, storage and fueling in a maritime context, 2) help shape (where needed) and navigate the required local, state and federal regulatory gauntlet and 3) catalyze a “green hydrogen ecosystem” (both marine and landside) with locally produced renewable hydrogen at the San Francisco waterfront. A summary is also given of the modeling and experimental activity of Phase 1 directed to the development of science-based refueling protocols for large marine Type IV 250-bar hydrogen tanks. Combined modeling and experimental studies are reported of the filling of large (28 kg) 250-bar Type IV hydrogen tanks of the type being deployed on early hydrogen ferries, such as the MV Sea Change. The primary question was to determine how such tanks can be successfully filled (state of charge greater than 97%) within 45 minutes without exceeding the 82 °C temperature limit historically set for such tanks. The studies show that a gas injector is needed avoid thermal stratification during filling which can result in potential hot spots. Pre-cooling of the hydrogen was found to be essential in most cases, as ambient conditions greatly affect the need for a pre-cooling to achieve the 45-minute fill time. Pre-cooling cannot be supplied by nearby water, such as that found in nature (bays, lakes, rivers, etc.) because pre-cooling cooling below 0 °C was found to be necessary to avoid excessive compression heating. The experimental results afforded a calibration of the engineering model (SOFIL) for these large 250-bar tanks, which now enables using SOFIL to predict volume-averaged hydrogen filling temperatures to an accuracy of +/- 2.7°C for these tanks. The model can therefore be used to evaluate potential scenarios for development of a standardized fueling methodology for ferries utilizing large Type-IV tanks of the type examined here.

08 HYDROGEN↗
DOE OSTI2025

Dilute Regeneration-Driven Membrane Capacitive Deionization of Synthetic Seawater Using Nanopatterned Membranes and Prussian Blue Analog Electrodes

Membrane capacitive deionization (MCDI) offers energy-efficient seawater desalination but is limited at high salinity by membrane resistance and incomplete electrode regeneration. Nanopatterned ion-exchange membranes, dilute regeneration protocols, and Prussian blue analog (PBA)-functionalized electrodes are combined in a flow-by-MCDI cell. Nanopatterned ion-exchange membranes (hexagonal, octagonal, double-ring, rectangular) enhance interfacial ion transport, with hexagonal geometry delivering ≈12.5% greater surface area and the best performance. PBA-functionalized electrodes increase salt adsorption and charge-transfer kinetic rates. The integrated system lowers the area-specific resistance by 45 Ω cm2, resulting in a 500 mV reduction in the cell voltage for a current density of 2 mA cm−2 for a 35 000 ppm NaCl feed. This improves the energy-normalized salt adsorption six fold (64–382 mmol J−1). Low salinity (2000 ppm) and mixed-salt regeneration sustains a ≈39% water recovery and stable performance for at least seven cycles. Overall, combining nanopatterned membranes, which promote confinement-enhanced ion mobility, and PBA electrodes, which enhance salt adsorption, improved the energy efficiency of MCDI.

Hasan, Mahmudul↗
DOE OSTI2020

A random unitary circuit model for black hole evaporation

Inspired by the Hayden-Preskill protocol for black hole evaporation, we consider the dynamics of a quantum many-body qudit system coupled to an external environment, where the time evolution is driven by the continuous limit of certain 2-local random unitary circuits. We study both cases where the unitaries are chosen with and without a conserved U(1) charge and focus on two aspects of the dynamics. First, we study analytically and numerically the growth of the entanglement entropy of the system, showing that two different time scales appear: one is intrinsic to the internal dynamics (the scrambling time), while the other depends on the system-environment coupling. In the presence of a U(1) conserved charge, we show that the entanglement follows a Page-like behavior in time: it begins to decrease in the middle stage of the “evaporation”, and decreases monotonically afterwards. Second, we study the time needed to retrieve information initially injected in the system from measurements on the environment qudits. Based on explicit numerical computations, we characterize such time both when the retriever has control over the initial configuration or not, showing that different scales appear in the two cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Energy Northwest - Horn Rapids Solar and Storage: An Assessment of Battery Technical Performance

Chartered in 1957 as a joint action agency of the state, Energy Northwest (ENW) is a consortium of 27 public utility districts and municipalities across Washington state. ENW takes advantage of economies of scale and shared services to help utilities run their operations more efficiently and at lower cost, to the benefit of more than 1.5 million customers. ENW develops, owns, and operates a diverse mix of electricity generating resources, including hydro, solar, and wind projects – and the Northwest’s only active nuclear energy facility. These projects provide enough reliable, affordable, and environmentally responsible energy to power more than a million homes each year, and that carbon-free electricity is provided at the cost of generation. The agency continually explores new generation projects to meet its members’ needs. In 2017, as part of the second round of funding from the Washington state Clean Energy Fund, the Washington State Department of Commerce granted up to $3 million in matching funds to develop an estimated $6.5 million project that deployed a 4-MW, 20-acre solar generating array of photovoltaic (PV) panels coupled with a 1 MW/5.5 MWh lithium-iron-phosphate battery energy storage system (BESS) in Richland, Washington. The combination of PV and BESS will provide a predictable, renewable generating source and will also serve as a training ground for solar and battery technicians throughout the nation. The City of Richland will purchase the power from the project and utilize the benefits of the energy storage. The project provides Washington state with its first opportunity to integrate a large-scale solar and storage facility into its clean mix of hydro, nuclear, and wind resources. This first-of-its-kind facility combines solar generation with battery storage and technician training. In 2019, Pacific Northwest National Laboratory (PNNL) worked with ENW to assess the integrated PV and BESS in representative use cases that could benefit the City of Richland. Between March and May 2022, extensive testing was conducted, and the results were used to assess the technical performance of the BESS subjected to actual field operations. Both reference performance and use case tests were performed: (A) Reference performance tests assess the general technical capabilities of the BESS, such as energy capacity, round-trip efficiency (RTE), ramp rate, and signal tracking capability. These are the first tests performed (baseline), and they are repeated after use case tests (post cycle). A standardized U.S. Department of Energy (DOE) energy storage performance protocol was used to characterize the BESS, including representative duty cycle profiles, test procedure guidance, and calculation guidance for determining key characteristics. (B) Use case tests examine the performance of the BESS for specific use cases using duty cycles developed by PNNL in collaboration with ENW. Five use cases were selected for testing: 1) demand charge reduction, 2) load shaping, 3) transmission charge reduction, 4) Volt-VAR service, and 5) outage mitigation. The use case duty cycles were developed based on utility and site-specific characteristics in addition to the technical characteristics and physical capabilities of the BESS. Use case tests were performed between the baseline and post cycle tests. This report describes the BESS and its components, presents testing and performance analysis results, and shares key insights and lessons learned from this project. Outcomes of the tests and analyses will help ENW understand the performance of the Horn Rapids BESS in its current state and design appropriate operational strategies for this and other BESSs over the long term.

14 SOLAR ENERGY↗
DOE OSTI2022

OPALCO - Decatur Island Solar and Energy Storage Project: An Assessment of Battery Technical Performance

Orcas Power & Light Cooperative (OPALCO) is a member-owned, nonprofit cooperative utility that provides energy services to approximately 11,200 customers across 20 islands in San Juan County, Washington. OPALCO’s mostly hydroelectric power is generated by Bonneville Power Administration and delivered to the islands by submarine cables. In 2016, as part of the second round of funding from the Washington state Clean Energy Fund, OPALCO received a $1 million matching grant to support a project that deployed a 504-kW LG community photovoltaic (PV) system in combination with a 1 MW/2 MWh lithium-iron-phosphate battery energy storage system (BESS) on Decatur Island, Washington. The Decatur Island Substation is essential to ensuring reliable energy for the residents of the San Juan Islands as it is the point of interconnection with the mainland transmission system. The BESS, in combination with the community solar array, will deliver an innovative method to both defer the costly upgrade of the transmission system and allow for other high-value applications intended to benefit the utility and its customers. In 2018, Pacific Northwest National Laboratory (PNNL) completed a preliminary economic assessment for several identified use cases in collaboration with OPALCO. Between August 2021 and May 2022, extensive testing was conducted, and the results were used to assess the technical performance of the BESS subjected to actual field operations. Both reference performance and use case tests were performed: (a) Reference performance tests assess the general technical capabilities of the BESS, such as energy capacity, round-trip efficiency (RTE), ramp rate, and signal tracking capability. These are the first tests performed (baseline) and are repeated after use case tests (post cycle). A standardized U.S. Department of Energy (DOE) energy storage performance protocol was used to characterize the BESS, including representative duty cycle profiles, test procedure guidance, and calculation guidance for determining key characteristics. (b) Use case tests examine the performance of the BESS for specific use cases using duty cycles developed by PNNL in collaboration with OPALCO. Four use cases were selected for testing: 1) demand charge reduction, 2) load shaping, 3) outage mitigation, and 4) transmission deferral. The use case duty cycles were developed based on utility and site-specific characteristics in addition to the technical characteristics and physical capabilities of the BESS. Use case tests were performed between the baseline and post cycle tests. This report describes the BESS and its components, presents testing and performance analysis results, and shares key insights and lessons learned from this project. Outcomes of the tests and analyses will help OPALCO understand the performance of the Decatur Island BESS in its current state and design appropriate operational strategies for this and other BESSs over the long term.

14 SOLAR ENERGY↗
DOE OSTI2025

Charge carrier extraction and recombination effects in GaInAs/GaAsP multi-quantum well solar cells

The carrier extraction and transport mechanisms as well as the relative contributions of radiative and non-radiative recombination processes are investigated in high-quality strain-balanced GaInAs/GaAsP multi-quantum well solar cells recently implemented in record efficiency multijunction solar cells. A comprehensive suite of complementary characterization techniques including temperature- and suns-dependent photoluminescence and photovoltaic measurements are employed to analyze thermal escape and tunneling rates, which demonstrate the need to move beyond simple drift-diffusion models of p–n junctions. This study examines the processes that best characterize the operation of these devices across varying temperatures using a simple two-diode model, incorporating multiple transport protocols, and provides insights into the performance-limiting processes and pathways for their optimization.

14 SOLAR ENERGY↗
DOE OSTI2024

Assessing cathode–electrolyte interphases in batteries

The cathode-electrolyte interphase plays a pivotal role in determining the usable capacity and cycling stability of electrochemical cells, yet it is overshadowed by its counterpart, the solid-electrolyte interphase. This is primarily due to the prevalence of side reactions, particularly at low potentials on the negative electrode, especially in state-of-the-art Li-ion batteries where the charge cutoff voltage is limited. However, as the quest for high-energy battery technologies intensifies, there is a pressing need to advance the study of cathode-electrolyte interphase properties. Here, we present a comprehensive approach to analyse the cathode-electrolyte interphase in battery systems. We underscore the importance of employing model cathode materials and coin cell protocols to establish baseline performance. Additionally, we delve into the factors behind the inconsistent and occasionally controversial findings related to the cathode-electrolyte interphase. In conclusion, we also address the challenges and opportunities in characterizing and simulating the cathode-electrolyte interphase, offering potential solutions to enhance its relevance to real-world applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Entropy Measurement of a Strongly Coupled Quantum Dot

The spin 1/2 entropy of electrons trapped in a quantum dot has previously been measured with great accuracy, but the protocol used for that measurement is valid only within a restrictive set of conditions. Here, in this work, we demonstrate a novel entropy measurement protocol that is universal for arbitrary mesoscopic circuits and apply this new approach to measure the entropy of a quantum dot hybridized with a reservoir. The experimental results match closely to numerical renormalization group (NRG) calculations for small and intermediate coupling. For the largest couplings investigated in this Letter, NRG calculations predict a suppression of spin entropy at the charge transition due to the formation of a Kondo singlet, but that suppression is not observed in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Disentangling quantum matter with measurements

Measurements destroy entanglement. Building on ideas used to study ‘quantum disentangled liquids,’ we explore the use of this effect to characterize states of matter. In this work, we focus on systems with multiple components, such as charge and spin in a Hubbard model or local moments and conduction electrons in a Kondo lattice model. In such systems, measurements of (a subset of) one of the components can leave behind a quantum state of the other that is easy to understand, for example in terms of scaling of entanglement entropy of subregions. We bound the outcome of this protocol, for any choice of measurement, in terms of more standard information-theoretic quantities. We apply this quantum disentangling protocol to several problems of physical interest, including gapless topological phases, heavy fermions, and scar states in the Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Inverse methods for design of soft materials

Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide a systematic means for navigating their inherently high-dimensional design spaces to create materials with targeted properties. Furthermore, while multiple physically motivated inverse strategies have been successfully implemented in silico, their translation to guiding experimental materials discovery has thus far been limited to a handful of proof-of-concept studies. In this perspective, we discuss recent advances in inverse methods for design of soft materials that address two challenges: (1) methodological limitations that prevent such approaches from satisfying design constraints and (2) computational challenges that limit the size and complexity of systems that can be addressed. Strategies that leverage machine learning have proven particularly effective, including methods to discover order parameters that characterize complex structural motifs and schemes to efficiently compute macroscopic properties from the underlying structure. We also highlight promising opportunities to improve the experimental realizability of materials designed computationally, including discovery of materials with functionality at multiple thermodynamic states, design of externally directed assembly protocols that are simple to implement in experiments, and strategies to improve the accuracy and computational efficiency of experimentally relevant models.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Top-Down Strategy to Engineer ActiveLayer Morphology for Highly Efficient and Stable All-Polymer Solar Cells

A major challenge hindering the further development of all-polymer solar cells (all-PSCs) employing polymerized small-molecule acceptors is the relatively low fill factor (FF) due to the difficulty in controlling the active-layer morphology. The issues typically arise from oversized phase separation resulting from the thermodynamically unfavorable mixing between two macromolecular species, and disordered molecular orientation/packing of highly anisotropic polymer chains. Herein, a facile top-down controlling strategy to engineer the morphology of all-polymer blends is developed by leveraging the layer-by-layer (LBL) deposition. Optimal intermixing of polymer components can be achieved in the two-step process by tuning the bottom-layer polymer swelling during top-layer deposition. Consequently, both the molecular orientation/packing of the bottom layer and the molecular ordering of the top layer can be optimized with a suitable top-layer processing solvent. A favorable morphology with gradient vertical composition distribution for efficient charge transport and extraction is therefore realized, affording a high all-PSC efficiency of 17.0% with a FF of 76.1%. The derived devices also possess excellent long-term thermal stability and can retain >90% of their initial efficiencies after being annealed at 65 °C for 1300 h. In conclusion, these results validate the distinct advantages of employing an LBL processing protocol to fabricate high-performance all-PSCs.

14 SOLAR ENERGY↗