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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Performance and Durability of Pure-Water-Fed Anion Exchange Membrane Electrolyzers Using Baseline Materials and Operation

Water electrolysis powered by renewable electricity produces green hydrogen and oxygen gas, which can be used for energy, fertilizer, and industrial applications and thus displace fossil fuels. Pure-water anion-exchange-membrane (AEM) electrolyzers in principle offer the advantages of commercialized proton-exchange-membrane systems (high current density, low cross over, output gas compression, etc.) while enabling the use of less-expensive steel components and nonprecious metal catalysts. AEM electrolyzer research and development, however, has been limited by the lack of broadly accessible materials that provide consistent cell performance, making it difficult to compare results across studies. Further, even when the same materials are used, different pretreatments and electrochemical analysis techniques can produce different results. Here, we report an AEM electrolyzer comprising commercially available catalysts, membrane, ionomer, and gas-diffusion layers operating near 1.9 V at 1 A cm –2 in pure water. After the initial break in, the performance degraded by 0.67 mV h –1 at 0.5 A cm –2 at 55 °C. We detail the key preparation, assembly, and operation techniques employed and show further performance improvements using advanced materials as a proof-of-concept for future AEM-electrolyzer development. Here, the data thus provide an easily reproducible and comparatively high-performance baseline that can be used by other laboratories to calibrate the performance of improved cell components, nonprecious metal oxygen evolution, and hydrogen evolution catalysts and learn how to mitigate degradation pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Increasing the Electrolyte Salinity to Improve the Performance of Anion Exchange Membrane Water Electrolyzers

Direct operation of anion exchange membrane water electrolyzers (AEMWEs) with near-neutral pH feeds avoids the use of highly alkaline and corrosive solutions. However, using neutral pH solutions currently faces fundamental operational challenges that diminish performance and reduce long-term stability due to poor solution conductivity and low hydroxide ion concentration. Here, we showed that amending near-neutral pH solutions with low concentrations of alkali metal salts in a dry-cathode configuration substantially improved performance and stability. Adding NaClO 4 (10 mM) to the anolyte reduced the operating voltage by 0.19 to 2.58 V at 500 mA/cm 2 compared to non-saline solutions (2.77 V). However, further increases in the feed salt concentration (100 mM NaClO 4 ) reduced performance (2.64 V) due to a greater co-ion diffusion through the anion exchange membrane. Electrolyzer performance was further improved by utilizing salts with high conductivity such as KNO 3 . Using a saline anolyte reduced ohmic resistance, resulting in smaller applied voltage and energy consumption for hydrogen generation, while the combined effect of the membrane charge and the electric field direction in the dry-cathode feed configuration minimized ion crossover. Thus, increasing the salinity of near-neutral pH solutions represents a cost-effective strategy to improve the performance of AEMWE compared to ultrapure electrolytes, minimizing risks and costs associated with recirculating highly alkaline solutions.

anion exchange membrane water electrolyzer↗
DOE OSTI2021

How Useful are Conventional I–Vs for Performance Calibration of Single- and Two-Junction Perovskite Solar Cells? A Statistical Analysis of Performance Data on ≈200 Cells from 30 Global Sources

As perovskite photovoltaics (PV) advance from the laboratory to commercial prototypes, their accurate and reliable performance testing is becoming increasingly important. The well-documented dynamic response of perovskite solar cells to an external applied voltage has led to the development of steady-state performance measurement methods; however, these methods have not been widely adopted by the perovskite PV community. A key reason for this is that steady-state measurement methods take tens of minutes to complete, as opposed to conventional "fast" current-voltage (I-V) measurements usually lasting a few seconds. Fast I-Vs arise from a snapshot, almost always not a steady-state condition of the device; however, given their widespread use, the question arises: how do performance parameters of perovskite PV compare when measured with fast I-V and with a steady-state method? Results compiled from approximately 200 perovskite PV cells, including single junction, and two-terminal perovskite-perovskite and perovskite-Si tandems, show that fast I-Vs can provide a useful measure of the open-circuit voltage of the devices, while the short-circuit current and the overall efficiency can be widely misestimated. Here, the implications of these findings on performance testing protocols are discussed and possible options for fast and accurate testing of perovskite PV are proposed.

14 SOLAR ENERGY↗
DOE OSTI2022

Performance and characterization of the SPT-3G digital frequency-domain multiplexed readout system using an improved noise and crosstalk model

The third-generation South Pole Telescope camera (SPT-3G) improves upon its predecessor (SPTpol) by an order of magnitude increase in detectors on the focal plane. The technology used to read out and control these detectors, digital frequency-domain multiplexing (DfMUX), is conceptually the same as used for SPTpol, but extended to accommodate more detectors. A nearly 5× expansion in the readout operating bandwidth has enabled the use of this large focal plane, and SPT-3G performance meets the forecasting targets relevant to its science objectives. However, the electrical dynamics of the higher-bandwidth readout differ from predictions based on models of the SPTpol system due to the higher frequencies used and parasitic impedances associated with new cryogenic electronic architecture. To address this, we present an updated derivation for electrical crosstalk in higher-bandwidth DfMUX systems and identify two previously uncharacterized contributions to readout noise, which become dominant at high bias frequency. The updated crosstalk and noise models successfully describe the measured crosstalk and readout noise performance of SPT-3G. These results also suggest specific changes to warm electronics component values, wire-harness properties, and SQUID parameters, to improve the readout system for future experiments using DfMUX, such as the LiteBIRD space telescope.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Biopolymer‐assisted Synthesis of P‐doped TiO 2 Nanoparticles for High‐performance Lithium‐ion Batteries: A Comprehensive Study

Abstract TiO 2 material has gained significant attention for large‐scale energy storage due to its abundant, low‐cost, and environmentally friendly properties, as well as the availability of various nanostructures. Phosphorus doping has been established as an effective technique for improving electronic conductivity and managing the slow ionic diffusion kinetics of TiO 2 . In this study, non‐doped and phosphorus doped TiO 2 materials were synthesized using sodium alginate biopolymer as chelating agent. The prepared materials were evaluated as anode materials for lithium‐ion batteries (LIBs). The electrodes exhibit remarkable electrochemical performance, including a high reversible capacity of 235 mAh g −1 at 0.1 C and excellent first coulombic efficiency of 99 %. An integrated approach, combining operando XRD and ex‐situ XAS, comprehensively investigates the relationship between phosphorus doping, material structure, and electrochemical performance, reinforced by analytical tools and first principles calculations. Furthermore, a full cell was designed using 2 %P‐doped TiO 2 anode and LiFePO 4 cathode. The output voltage was about 1.6 V with high initial specific capacity of 148 mAh g −1 , high rate‐capability of 120 mAh g −1 at 1 C, and high‐capacity retention of 96 % after 1000 cycles at 1 C.

El Halya, Nabil↗
DOE OSTI2023

Improved Primary Reference Cell Calibrations for Higher Accuracy Photovoltaic Cell and Module Performance Measurements

The adoption of photovoltaic (PV) modules for clean electricity relies on accurate measurements of their performance, which are essential for estimating their energy production potential. Herein, the calibration chain of PV cells and modules, with particular emphasis on primary reference cell calibrations, is discussed. Also, herein, the direct sunlight method the group has developed for these calibrations is presented and critical improvements and upgrades that lead to calibration uncertainty as low as 0.45% are discussed. The ultimate motivation behind this work is to provide low‐uncertainty performance measurements of PV modules, and lowering the calibration uncertainty of primary reference cells is a key first step toward achieving this goal. As the use of solar electricity continues to grow, the demand for primary reference cell calibrations inevitably increases beyond what the small handful of primary calibration laboratories can provide today. Therefore, this work can serve as a useful guide for implementing primary PV reference cell calibrations using the outdoor method, as well as outlining the critical elements required to make these calibrations highly accurate.

Osterwald, Carl R.↗
DOE OSTI2025

Physics-informed machine learning for building performance simulation-A review of a nascent field

Building performance simulation (BPS) is critical for understanding building dynamics and behavior, analyzing the performance of the built environment, optimizing energy efficiency, improving demand flexibility, and enhancing building resilience. However, conducting BPS is not trivial. Traditional BPS relies on accurate building energy models, which are primarily physics-based and heavily dependent on detailed building information, expert knowledge, and case-by-case model calibrations, significantly limiting their scalability. With the development of sensing technology and the increased availability of data, there is growing attention and interest in data-driven BPS. However, purely data-driven models often suffer from limited generalization ability and a lack of physical consistency, resulting in poor performance in real-world applications. To address these limitations, recent studies have begun integrating physics priors into data-driven models, a methodology known as physics-informed machine learning (PIML). PIML is an emerging field where its definitions, methodologies, evaluation criteria, application scenarios, and future directions remain open. To bridge those gaps, this study systematically reviews the state-of-the-art PIML for BPS, offering a comprehensive definition of PIML and comparing it to traditional BPS approaches regarding data requirements, modeling effort, performance, and computational cost. We also summarize the commonly used methodologies, validation approaches, application domains, available data sources, open-source packages, and testbeds. In addition, this study provides a general guideline for selecting appropriate PIML models based on BPS applications. Finally, this study identifies key challenges and outlines future research directions, providing a solid foundation and valuable insights to advance R&D of PIML in BPS.

Jiang, Zixin↗
DOE OSTI2022

Modeling interconnections of safety and financial performance of nuclear power plants, part 3: Spatiotemporal probabilistic physics-of-failure analysis and its connection to safety and financial performance

Here, this paper is a byproduct of a line of research by the authors to analyze interrelationships of safety and financial performance of nuclear power plants (NPPs). The result of this line of research is summarized in three parts: Part 1 covers a categorical review of relevant literature and the theoretical bases that support the methodological developments in Part 2. Part 2 introduces an Integrated Enterprise Risk Management (I-ERM) methodological framework to quantify the interconnections of safety and financial performance with a focus on operation and maintenance (O&M) of NPPs. Part 2 has also demonstrated the applicability and values of the I-ERM methodology through an NPP case study. This paper is Part 3, where detailed development and implementation of one of the I-ERM modules, i.e., probabilistic physics-of-failure (PPoF) analysis, and its connection with safety and financial performance is reported. In this article, the physical failure modeling for hardware components is advanced by incorporating finite element analysis (FEA) into PPoF analysis and coupling the FEA-based PPoF with the maintenance performance through a renewal process model. This article covers two scientific contributions: (i) first-of-its-kind incorporation of FEA into the PPoF model of thermal fatigue for NPP components; and (ii) advancing the interface between the PPoF analysis and the renewal process model in order to deal with spatiotemporal FEA outputs and to efficiently estimate the physical transition rates even when the PPoF outputs are dominated by success data. Through the incorporation of FEA, the resolution of the PPoF analysis is enhanced as spatiotemporal conditions such as stress and temperature can be considered explicitly instead of relying on simplified assumptions or analytical models with reduced spatiotemporal dimensions. To demonstrate an application of the FEA-based PPoF analysis and its coupling with maintenance through the renewal process model, a case study is conducted using excess letdown elbow piping in the chemical and volume control system of a Pressurized Water Reactor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

High Performing Inverted Flexible Perovskite Solar Cells via Solution Phase Deposition of Yttrium-Doped SnO 2 Directly on Perovskite

Solution processing of flexible perovskite solar cells (f-PSCs) provides an avenue for scalable, high-throughput printing of lightweight, scalable, and cost-effective flexible solar cells. However, the deposition of fully solution-processed metal oxide charge transport layers on perovskites has been limited by solvent incompatibilities and high processing temperatures for metal oxide nanoparticles. In this study, we present high-performance, inverted f-PSCs from the direct deposition of yttrium doped SnO 2 nanoparticles functionalized with acetate on top of perovskite as an ink in anhydrous ethanol via blade coating. Yttrium doping improved device performance by improving the charge extraction leading with a decreased series resistance leading to improvements in the open-circuit voltage and fill factor. Furthermore, the champion power conversion efficiency for 0.1 cm 2 devices increased from 14.3% for undoped SnO 2 to 18.2% with 2% Y:SnO 2 doping, which is unprecedented for f-PSCs on ITO-PET substrate employing SnO 2 as an ETL.

14 SOLAR ENERGY↗
DOE OSTI2021

History Matching and Performance Prediction of a Polymer Flood Pilot in Heavy Oil Reservoir on Alaska North Slope

The first-ever polymer flood pilot to enhance heavy oil recovery on Alaska North Slope (ANS) is ongoing. After more than 2.5 years of polymer injection, significant benefit has been observed from the decrease in water cut from 65% to less than 15% in the project producers. The primary objective of this study is to develop a robust history-matched reservoir simulation model capable of predicting future polymer flood performance. In this work, the reservoir simulation model has been developed based on the geological model and available reservoir and fluid data. In particular, four high transmissibility strips were introduced to connect the injector-producer well pairs, simulating short-circuiting flow behavior that can be explained by viscous fingering and reproducing the water cut history. The strip transmissibilities were manually tuned to improve the history matching results during the waterflooding and polymer flooding periods, respectively. It has been found that higher strip transmissibilities match the sharp water cut increase very well in the waterflooding period. Then the strip transmissibilities need to be reduced with time to match the significant water cut reduction. The viscous fingering effect in the reservoir during waterflooding and the restoration of injection conformance during polymer flooding have been effectively represented. Based on the validated simulation model, numerical simulation tests have been conducted to investigate the oil recovery performance under different development strategies, with consideration for sensitivity to polymer parameter uncertainties. The oil recovery factor with polymer flooding can reach about 39% in 30 years, twice as much as forecasted with continued waterflooding. Besides, the updated reservoir model has been successfully employed to forecast polymer utilization, a valuable parameter to evaluate the pilot test’s economic efficiency. All the investigated development strategies indicate polymer utilization lower than 3.5 lbs/bbl in 30 years, which is economically attractive.

Wang, Xindan↗
DOE OSTI2024

Performance Analysis of an Optimization Algorithm for Metamaterial Design on the Integrated High-Performance Computing and Quantum Systems

Optimizing metamaterials with complex geometries is a big challenge. Although an active learning algorithm, combining machine learning (ML), quantum computing, and optical simulation, has emerged as an efficient optimization tool, it still faces difficulties in optimizing complex structures that have potentially high performance. In this work, we comprehensively analyze the performance of an optimization algorithm for metamaterial design on the integrated HPC and quantum systems. We demonstrate significant time advantages through message-passing interface (MPI) parallelization on the high-performance computing (HPC) system showing approximately 54% faster ML tasks and 67 times faster optical simulation against serial workloads. Furthermore, we analyze the performance of a quantum algorithm designed for optimization, which runs with various quantum simulators on a local computer or HPC-quantum system. Results showcase ~24 times speedup when executing the optimization algorithm on the HPC-quantum hybrid system. This study paves a way to optimize complex metamaterials using the integrated HPC-quantum system.

Kim, Seongmin↗
DOE OSTI2023

SERGHEI (SERGHEI-SWE) v1.0: a performance-portable high-performance parallel-computing shallow-water solver for hydrology and environmental hydraulics

The Simulation EnviRonment for Geomorphology, Hydrodynamics, and Ecohydrology in Integrated form (SERGHEI) is a multi-dimensional, multi-domain, and multi-physics model framework for environmental and landscape simulation, designed with an outlook towards Earth system modelling. At the core of SERGHEI's innovation is its performance-portable high-performance parallel-computing (HPC) implementation, built from scratch on the Kokkos portability layer, allowing SERGHEI to be deployed, in a performance-portable fashion, in graphics processing unit (GPU)-based heterogeneous systems. In this work, we explore combinations of MPI and Kokkos using OpenMP and CUDA backends. In this contribution, we introduce the SERGHEI model framework and present with detail its first operational module for solving shallow-water equations (SERGHEI-SWE) and its HPC implementation. This module is designed to be applicable to hydrological and environmental problems including flooding and runoff generation, with an outlook towards Earth system modelling. Its applicability is demonstrated by testing several well-known benchmarks and large-scale problems, for which SERGHEI-SWE achieves excellent results for the different types of shallow-water problems. Finally, SERGHEI-SWE scalability and performance portability is demonstrated and evaluated on several TOP500 HPC systems, with very good scaling in the range of over 20 000 CPUs and up to 256 state-of-the art GPUs.

58 GEOSCIENCES↗
DOE OSTI2021

Vapor-Fed Cathode Microbial Electrolysis Cells with Closely Spaced Electrodes Enables Greatly Improved Performance

Hydrogen can be electrochemically produced in microbial electrolysis cells (MECs) by current generated from bacterial anodes with a small added voltage. MECs typically use a liquid catholyte containing a buffer or salts. However, anions in these catholytes result in charge being balanced predominantly by ions other than hydroxide or protons, leading to anode acidification. To enhance only hydroxide ion transport to the anode, we developed a novel vapor-fed MEC configuration lacking a catholyte with closely spaced electrodes and an anion exchange membrane to limit the acidification. This MEC design produced a record-high sustained current density of 43.1 ± 0.6 A/m 2 and a H 2 production rate of 72 ± 2 LH 2 /L-d (cell voltage of 0.79 ± 0.00 V). There was minimal impact on MEC performance of increased acetate concentrations, solution conductivity, or anolyte buffer capacity at applied voltages up to 1.1 V, as shown by a nearly constant internal resistance of only 6.8 ± 0.3 mΩ m 2 . At applied external voltages >1.1 V, the buffer capacity impacted performance, with current densities increasing from 28.5 ± 0.6 A/m 2 (20 mM phosphate buffer solution (PBS)) to 51 ± 1 A/m 2 (100 mM PBS). Furthermore, these results show that a vapor-fed MEC can produce higher and more stable performance than liquid-fed cathodes by enhancing transport of hydroxide ions to the anode.

anion exchange membrane↗
DOE OSTI2022

Multifunctional Thiol-Containing Additives for Improved Photoluminescence and Photovoltaic Performance of Cs 0.15 FA 0.85 PbI 3 Perovskites

Thiol containing molecules as both interfacial surface ligands and additives are promising modulators for enhancing photoluminescence (PL) properties, stability, and photovoltaic (PV) performance of metal halide perovskites. However, alkanethiols are much more effective for improving photoluminescence (PL) intensity and stability in metal halide perovskite nanocrystals than in their thin film analogues. Herein, we investigate how additional functional groups on a pyrimidine core can alter thiol reactivity and influence the PL, stability, and PV performance of organic metal halide perovskites. Through an investigation of five different pyrimidine derivatives, it is shown that all derivatives containing thiol groups form thiolates in the presence of the perovskite precursors and increase the photoluminescence intensity of the perovskite film. The largest all-around improvement to the PL intensity, stability, and photovoltaic performance of Cs 0.15 FA 0.85 PbI 3 perovskites is realized through the addition of a hydroxyl group combined with a trifluoromethyl group to form 4-hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol. Furthermore, this investigation helps illuminate how combinations of functional groups can be employed to further increase the beneficial effects over monofunctional additives in organic metal halide perovskites.

14 SOLAR ENERGY↗
DOE OSTI2021

Improving the Comprehensive Performance of Na 0.7 MnO 2 for Sodium Ion Batteries by ZrO 2 Atomic Layer Deposition

Sodium ion batteries with Na-Mn-O compounds as cathode have been widely studied as substitutes for lithium ion batteries due to their abundant resources. Still, the relatively poor cycling stability and low capacity of Na-Mn-O compounds significantly limit their applications. Different approaches, including element substitution and surface modification, have been applied to improve the electrochemical performance of those cathode materials. Herein, element doping and coating of ZrO 2 on Na 0.7 MnO 2 particles have been achieved by atomic layer deposition (ALD) followed by post-annealing. The rate capability and cycling stability of the modified material were significantly improved, and the mechanism of performance enhancement was revealed. The ZrO 2 coatings acted as a stable interfacial layer to enhance the cycling stability of Na 0.7 MnO 2 by suppressing side reactions between the electrode and electrolyte. The doping of transition metal ions reduced energy barriers for sodium ion insertion and deintercalation during cycling, further improving the charge and discharge capacity and rate performance of Na 0.7 MnO 2 .

25 ENERGY STORAGE↗
DOE OSTI2022

Reduced Recombination and Improved Performance of CdSe/CdTe Solar Cells due to Cu Migration Induced by Light Soaking

The performance of CdTe solar cells has advanced impressively in recent years with the incorporation of Se. Instabilities associated with light soaking and copper reorganization have been extensively examined for the previous generation of CdS/CdTe solar cells, but instabilities in Cu-doped Se-alloyed CdTe devices remain relatively unexplored. In this work, we fabricated a range of CdSe/CdTe solar cells by sputtering CdSe layers with thicknesses of 100, 120, 150, 180, and 200 nm on transparent oxide-coated glass and then depositing CdTe by close-spaced sublimation. After CdCl 2 annealing, Cu-doping, and back metal deposition, a variety of analyses were performed both before and after light soaking to understand the changes in device performance. The device efficiency was degraded with light soaking in most cases, but devices fabricated with a CdSe layer thickness of 120 nm showed reasonably good efficiency initially (13.5%) and a dramatic improvement with light soaking (16.5%). Here, the efficiency improvement is examined within the context of Cu ion reorganization that is well known for CdS/CdTe devices. Low-temperature photoluminescence data and V oc versus temperature measurements indicate a reduction in nonradiative recombination due to the passivation of defects and defect complexes in the graded CdSe x Te 1–x layer.

CdSexTe1−x↗
DOE OSTI2026

Performance of pumped counterflow virtual impactors to study aerosol interactions with laboratory generated warm clouds

Pumped Counterflow Virtual Impactors (PCVI) are designed to separate aerosols based on aerodynamic diameter, which is particularly useful for isolating cloud droplets and ice crystals from smaller particles. However, the PCVI transmission efficiency (TE) values reported in the literature show considerable variability, and little information is available on the TEs for cloud liquid droplets. Here, we determined the optimal flow conditions for PCVI sampling for different activation ratios from the MTU Pi-cloud chamber, highlighting the conditions that maximize droplet residual sampling while minimizing interstitial transmission. Even for a lower limit cloud activation ratio = 1:10, an add flow of 1.5 LPM achieves a residual fraction greater than 0.80, with a droplet TE of ∼15% for typical Pi-Chamber droplets with diameters between 3.5 to 10 µm. This framework can be adapted for field cloud measurements based on the cloud conditions of interest. TE for cloud droplets under flow conditions at which ∼99% of the unactivated submicron particles were removed was substantially lower between 8 and 16% than for supermicron dry particles (∼30 to 40% for 3 µm polystyrene latex spheres). In addition, we conducted a comparison of the performances of three similar PCVI units to assess repeatability for dry aerosols and cloud droplets. All three PCVIs performed similarly in rejecting submicron particles smaller than the desired cutoff diameter. One of the units showed lower TEs due to a misalignment of the internal orifice. We discuss a procedure that improved alignment and performance.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

pbd-industrial-limit-of-performance (PBD limit of performance) v1.0.0

Software repository that contains models used for a paper about Platform-Based Design with limit of performance analysis for an industrial pilot study. This repository contains process and control models in Modelica and IDAES and scripts to develop an ML based controller that computes the control function that maximizes the techno-economic performance of cost and energy computed by the model. This software is meant to be released to reproduce the work described in a Journal publication that is now drafted with the working title "Energy System Limit of Performance Analysis using an Online Machine Learning Multi-Resolution Optimization Framework".

Amusat, Oluwamayowa [Lawrence Berkeley National La↗