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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Reliable Power Rating of Perovskite PV Modules: Preprint

As the perovskite technology is ramping up into commercialization, reliable and accurate power rating of large-size perovskite modules becomes a prominent aspect for its future deployment in the PV market. It is known that the performance calibration of perovskite PV devices is very challenging due to its complex dynamic response during a conventional current-voltage (IV) measurement. PV researchers have previously proposed several steady-state performance calibration methods to reliably extract PV efficiencies, but mostly focus on small area research-type cells. In this paper, we emphasize the importance of reliable performance calibration on large-size perovskite modules. Extending the NREL Cell and Module Performance (CMP) group’s steady-state performance calibration protocol (i.e., Asymptotic PMAX Scan) for perovskite cells to modules, we justify the necessity of reporting steady-state efficiencies for perovskite cells and discuss the challenges of applying this protocol to modules. We also present our protocol for Maximum Power Point Tracking (MPPT), which is a technique often used for performance calibration of perovskite cells and modules, and show a comparison between MPPT and Asymptotic PMAX. Using MPPT we demonstrate the interplay between metastability and degradation in perovskite modules, and emphasize the necessity to develop preconditioning protocols for stabilizing these devices. Our aim is to promote development of consensus protocols for performance calibration of perovskite modules, and to advance their credible power ratings, which will be beneficial to the growth of perovskite technology in the PV market.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2019

Experimental study and demonstration of pilot-scale oxy-coal combustion at elevated temperatures and pressures

High pressure oxy-fuel firing is a promising next-generation combustion technology for electricity generation, allowing net efficiency improvement compared to traditional oxy-fuel firing systems. Oxy-coal combustion has been extensively investigated at ambient pressure, but limited experimental data is available regarding this combustion method at elevated pressures at pilot or full scale. The study presented here investigates the operational performance of a high pressure, high temperature pilot-scale oxy-fuel combustor. Pulverized Utah bituminous coal in form of coal-water slurry was combusted at pressures up to 14 bar, temperatures up to 1600 °C and firing rates up to 300 kW. Eight different runs were selected for presentation and the measurements include flue gas composition (CO, CO 2 , CH 4 , SO 2 , O 2 ), carbon and sulfur content of fly ash, combustor temperature profile and flame radiation profile. The flame radiation measurements were carried out with a novel narrow beam radiometer which measures local radiant heat flux at a specific location in the combustor. The radiation ranged from 108 to 279 kW/m 2 depending mainly on combustor temperature. Additionally, the temperature significantly impacted the carbon content of fly ash: 2.66% was measured near 1600 °C, while the concentration increased to 36.7% when the temperature was decreased to 1300°C. Furthermore, the successful experimental demonstrations showed that increasing pressure is a viable combustion method and a step towards enhancing the efficiency in oxy-fuel firing based power plants.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Reliable Power Rating of Perovskite PV Modules

As the perovskite technology is ramping up into commercialization, reliable and accurate power rating of large-size perovskite modules becomes a prominent aspect for its future deployment in the PV market. It is known that the performance calibration of perovskite PV devices is very challenging due to its complex dynamic response during a conventional current-voltage (IV) measurement. PV researchers have previously proposed several steady-state performance calibration methods to reliably extract PV efficiencies, but mostly focus on small area research-type cells. In this paper, we emphasize the importance of reliable performance calibration on large-size perovskite modules. Extending the NREL Cell and Module Performance (CMP) group's steady-state performance calibration protocol (i.e., Asymptotic P MAX Scan) for perovskite cells to modules, we justify the necessity of reporting steady-state efficiencies for perovskite cells and discuss the challenges of applying this protocol to modules. We also present our protocol for Maximum Power Point Tracking (MPPT), which is a technique often used for performance calibration of perovskite cells and modules, and show a comparison between MPPT and Asymptotic P MAX . Using MPPT we demonstrate the interplay between metastability and degradation in perovskite modules, and emphasize the necessity to develop preconditioning protocols for stabilizing these devices. Our aim is to promote development of consensus protocols for performance calibration of perovskite modules, and to advance their credible power ratings, which will be beneficial to the growth of perovskite technology in the PV market.

perovskite↗
DOE OSTI2024

Optimized Viewing Techniques to Minimize Radiation Damage From X-ray Imaging Systems

X-ray inspection of ball grid arrays (BGAs) is typically performed at one or more viewing angles to examine adhesion sites for errors such as voids, joint cracking, or head-in-pillow. During this inspection process, the cir cuit board assembly is subject to ionizing radiation exposure, which can cause trapped charge within oxide layers of semiconductor devices. Some x-ray machines allow for programmable inspection routines, which could be used to optimize radiation exposure to semiconductor components. Using Monte Carlo methods, x-ray inspection of a BGA was simulated to determine a range of acceptable viewing angles. Dose rates to circuit board components were estimated at each inspection angle to determine the view resulting in optimized radiation exposure. Results showed that for each BGA, the maximum unobstructed viewing times without exceeding a 5 Gy dose limit to a single part ranged from 82 to 94 minutes. Using a radiation cost function method, optimized viewing across all components was found. Here, it was observed that for a consistent dose limit applied to silicon-based components, performing inspection with BGAs facing the x-ray source was optimal. A third method was applied, assigning individual dose limits based on empirical data from the NASA Goddard Space Flight Center radiation database. This method showed that optimized viewing maximizes the distance between the radiation source and highly sensitive components. It was also observed that cumulative effects from viewing two BGAs will influence viewing angles, causing the optimal view of one BGA to exist nearly 180° from the other.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Embedded 3D printing of isotropically enhanced lattice structure with programmable elasticity via three-dimensional fiber alignment

Engineered composites with fiber orientation in a complete three-dimensional (3D) context are highly desired for maximizing structural performance as they mimic the well-organized fiber arrangement in natural composites. However, most fabrication techniques lack the capability for through-plane (z-axis) alignment, limiting the possibility for structural design and performance optimization. In this study, we present an embedded 3D printing approach that enables complete 3D fiber alignment, including region-specific alignment control along the through-plane direction. Our method utilizes the extrusion and suspension of composite inks within a supporting matrix. By regionally adjusting the ink extrusion rate and nozzle translation rate, we locally manipulated the fiber arrangement within the composite 3D architecture. Here, we demonstrate that the 3D alignment of carbon fibers in a structural composite significantly enhances both mechanical properties and thermal conductivity in the in-plane and through-plane directions. Furthermore, by strategically arranging regional fiber orientations within micro-architected materials, we fabricated metamaterial engineered composites with programmable anisotropy ratio and directional moduli.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Throughput Optimization of Molybdenum Carbide Nanoparticle Catalysts in a Continuous Flow Reactor Using Design of Experiments

Transition metal carbides (TMCs) have attracted significant attention because of their applications toward a wide range of catalytic transformations. However, the practicality of their synthesis is still limited because of the harsh conditions in which most TMCs are prepared. Recently, a solution-phase synthesis of phase-pure a-MoC1-x nanoparticles was presented. While this synthetic route yielded nanoparticles with exceptional catalytic performance, the reaction parameter space was not explored, and catalyst throughput was not optimized for scale-up. Continuous flow platforms coupled with statistical design of experiments (DoE) can provide a powerful method for understanding the reaction parameter space for optimizations. Here, we demonstrate the use of statistical DoE in tandem with response surface methodology for a parametric screening analysis to optimize the throughput of a MoC1-x nanoparticle synthesis utilizing a millifluidic flow reactor. A full factorial design was implemented to evaluate four input variables (reaction temperature, flow rate, solvent fraction of oleylamine, and precursor concentration) that carry statistically significant effects on three responses (throughput, residence time, and isolated yield). A Doehlert matrix was implemented to investigate each significant variable at a higher number of levels to optimize throughput. Our results give a nonintuitive set of experimental conditions that resulted in an optimized throughput of 2.2 g h-1. This translates to a 50-fold increase in throughput compared to the previously reported batch method. The catalytic performance of the MoC1-x nanoparticles produced under optimized throughput was demonstrated in the CO2 hydrogenation reaction. This DoE screening analysis and throughput optimization of MoC1-x synthesis open the door to an increased feasibility for scale-up.

design of experiments↗
DOE OSTI2019

Method for real-time measurement of fluctuations of the ratio of peak power to duration of high-repetition-rate ultrashort pulses

A method is proposed for estimating ratio fluctuations of the peak power to the duration of ultrashort pulses (USPs), based on the measurement of the radiation spectrum nonlinearly broadened in the Kerr medium for only four wavelengths. The method provides a fairly simple measurement processing which can be performed in real time using analogue circuitry even without the digitisation of signals, whereas the operation speed is only limited by the response time of photodetectors and analogue circuits. Numerical studies have shown the possibility of applying the method even for pulses having a substantial asymmetry and containing a significant pedestal. The use of the developed method for analysis of fluctuations of the pulse parameters of a high-power laser system has been experimentally demonstrated, with a short optical fibre section employed for spectrum broadening. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Optical-pump–terahertz-probe spectroscopy in high magnetic fields with kHz single-shot detection

We demonstrate optical pump–THz probe (OPTP) spectroscopy with a variable external magnetic field (0–9 T), in which the time-dependent THz signal is measured by echelon-based single-shot detection at a repetition rate of 1 kHz. The method reduces data acquisition times by more than an order of magnitude compared to conventional electro-optic sampling using a scanning delay stage. The approach illustrates the wide applicability of the single-shot measurement approach to non-equilibrium systems that are studied through OPTP spectroscopy, especially in cases where parameters such as magnetic field strength (B) or other experimental parameters are varied. We demonstrate the capabilities of our measurement by performing cyclotron resonance experiments in bulk silicon, where we observe B-field-dependent carrier relaxation and distinct relaxation rates for different carrier types. We use a pair of economical linear array detectors to measure 500 time points on each shot, offering an equivalent performance to camera-based detection with possibilities for higher repetition rates.

Instruments & Instrumentation↗
DOE OSTI2018

Precision determination of absolute neutron flux

A technique for establishing the total neutron rate of a highly-collimated monochromatic cold neutron beam was demonstrated using an alpha–gamma counter. The method involves only the counting of measured rates and is independent of neutron cross sections, decay chain branching ratios, and neutron beam energy. For the measurement, a target of 10 B-enriched boron carbide totally absorbed the neutrons in a monochromatic beam, and the rate of absorbed neutrons was determined by counting 478 keV gamma rays from neutron capture on 10 B with calibrated high-purity germanium detectors. A second measurement based on Bragg diffraction from a perfect silicon crystal was performed to determine the mean de Broglie wavelength of the beam to a precision of 0.024%. With these measurements, the detection efficiency of a neutron monitor based on neutron absorption on 6 Li was determined to an overall uncertainty of 0.058%. We discuss the principle of the alpha–gamma method and present details of how the measurement was performed including the systematic effects. We further describe how this method may be used for applications in neutron dosimetry and metrology, fundamental neutron physics, and neutron cross section measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

In situ polymerized succinonitrile-based solid polymer electrolytes for lithium ion batteries

Novel solid polymer electrolytes based on succinonitrile (SN) plastic crystal electrolyte (SN-PCE) and polymerized ionic liquid (PIL) has been successfully synthesized via an in-situ method. The fabricated electrolyte (PIL-SN-PCE) is uniformly inlayed into the supporting matrix of polyimide, which effectively ameliorates the mechanical properties of the electrolyte. PIL can effectively enhance the thermal stability of electrolytes up to 300 °C and mitigate the parasitic reactions between the electrolytes and the electrodes. PIL-SN-PCE exhibits a remarkable oxidation ability up to 5.4 V vs Li/Li + and a high room temperature ionic conductivity of 6.54 × 10 -4 S cm -1 . Furthermore, in-situ formed interface in PIL-SN-PCE guarantee an excellent compatibility with different electrodes, which can effectively improve the cycle stability and rate performances of both half-cells and full cells. Finally, PIL-SN-PCE is considered as a promising electrolyte for high energy density lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2018

Concurrent implicit spectral deferred correction scheme for low-Mach number combustion with detailed chemistry

We present a parallel multi-implicit time integration scheme for the advection-diffusion-reaction systems arising from the equations governing low-Mach number combustion with complex chemistry. Here, our strategy employs parallelisation across the method to accelerate the serial Multi-Implicit Spectral Deferred Correction (MISDC) scheme used to couple the advection, diffusion, and reaction processes. In our approach, the diffusion solves and the reaction solves are performed concurrently by different processors. Our analysis shows that the proposed parallel scheme is stable for stiff problems and that the sweeps converge to the fixed-point solution at a faster rate than with serial MISDC. We present numerical examples to demonstrate that the new algorithm is high-order accurate in time, and achieves a parallel speedup compared to serial MISDC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Graphene foam supported LiFePO4 nanosheets composite as advanced cathode for lithium ion batteries

Highlights: • Construct self-supported porous LiFePO{sub 4}/GF composite film. • Porous LiFePO{sub 4}/GF composite film show superior cycling life. • Hierarchical porous nanosheets structure boost fast electron/ion transfer. - Abstract: Smart design of advanced cathode plays a significantly important role for the development of high-performance lithium ion batteries (LIBs). In this work, we synthesized a new kind of LiFePO{sub 4}/Graphene foam (LFP/GF) integrated binder-free cathode via chemical vapor deposition (CVD) + hydrothermal method. The LFP is composed of interconnected LiFePO{sub 4} nanosheets with numerous nanopores of 50–500 nm. High porosity and good adhesion endow LiFePO{sub 4}/GF film superior electrochemical properties with remarkable high-rate capacities, small polarization and stable cycling life. A high-rate capacity of 110 mAh g{sup −1} at 24 C is obtained for the LiFePO{sub 4}/GF composite. Moreover, a high capacity retention of 95% is acquired after 160 cycles. This enhancement is due to the unique integrated porous LiFePO{sub 4} nanosheets and good support of graphene foam providing fast ion/electron transfer. Our work displays a new insight in constructing integrated cathode for application in high-performance LIBs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Sustainable Energy-Storage Materials from Lignin-Graphene Nanocomposite-Derived Porous Carbon Film

We present a simple, green approach to fabricating porous free-standing carbon films. An alkaline solution of low-cost, renewable lignin and graphene oxide (GO) is cast, followed by simultaneous carbonization and activation. Lignin, which is the least valued product from several biomass processing industries, is an efficient source of carbon when used as an intercalating agent to separate graphene sheets derived from homogeneous GO/lignin nanocomposite films prepared from an aqueous alkaline (KOH) solution. After thermal treatment the GO/lignin films show complete dispersion of reduced GO sheets within amorphous lignin-derived carbon. Furthermore, the presence of KOH in the film produces activated carbon. The resulting activated carbon films display a specific surface area of up to 1744 m2 g 1 and consist of a balance of pore volumes with pore sizes below and above 1 nm. A two-electrode supercapacitor composed of these films in an aqueous electrolyte exhibits near-ideal capacitive behavior at an ultrahigh scan rate of 1 V s 1, while maintaining an excellent specific capacitance of 162 F g 1. Such outstanding performance of renewable carbon as a supercapacitor, in addition to the ease of electrode fabrication from a precursor containing 85 % lignin, offers a novel method for valorization of lignin-rich byproduct streams from biomass processing industries.

25 ENERGY STORAGE↗
DOE OSTI2026

Two-phase flow numerical analysis of electrode geometry for alkaline water electrolyzers

Hydrogen is a promising component of a future energy-secure and efficient economy, but its competitiveness depends on reducing production costs. One strategy is to operate alkaline water electrolyzers at higher current densities to increase output. However, this intensifies performance losses due to gas bubble accumulation, which blocks transport pathways and deactivates electrochemically active surfaces. Enhancing bubble evacuation through electrode design is therefore essential. Previous studies have explored various approaches — such as modifying surface morphology, applying sonication or pressure modulation, and introducing surfactants — but these efforts have addressed a limited range of conditions due to the complexity of two-phase flow and electrode geometries. Experiments have also largely been focused on either cell level improvements, which lack the information necessary to isolate each contributing factor, or on modified geometries that are not relevant to practical cell operation. From a modeling perspective, conventional Eulerian multiphase models do not track the complex gas–liquid interfacial dynamics and often neglect surface tension and contact angle effects, reducing their predictive accuracy. To provide insights on the effects of different electrode geometries on the performance of alklaine water electrolyzers this work employs an immersed boundary volume-of-fluid method to simulate bubble behavior in 3D porous electrodes. Multiple base electrode geometries, typically used in practice, with varying porosity are evaluated under a constant surface gas generation rate. Simulation data is analyzed to quantify electrode gas coverage, bubble size dynamics and other relevant metrics. Results show that porosity strongly influences bubble accumulation on electrode surfaces, with higher porosity reducing gas coverage, and its not strictly dependent on the electrode geometry. However, the electrode’s base geometry significantly affects gas accumulation at the separator gap, independent of porosity. A foam electrode geometry resulted in the lowest gas coverage of all electrodes with a median volumetric gas coverage of 11%, but at the cost of a 70% reduction in active area compared with the largest surface area electrode, while gyroid electrodes showed the best trade-off between gas coverage, particularly at the separator surface, and electrochemically active area. In conclusion, the results highlight the need for holistic electrode design strategies.

Alkaline↗
DOE OSTI2025

Crystal Growth Scale-Up and Stability of RbSr 2 X 5 :Eu Scintillators

The discovery and development of new scintillation materials support national security needs. In these applications, large volumes of scintillator crystals are needed to achieve efficient screening for contraband. Therefore, one important step in the discovery of new scintillator compositions is testing their feasibility for scale-up and their stability. In this work, high-quality Ø22 mm crystals of two new scintillators RbSr 2 Br 5 :Eu and RbSr 2 I 5 :Eu were grown via the Vertical Bridgman method, and their scintillation properties were characterized. Here, the Ø22 mm RbSr 2 I 5 :Eu crystals could be grown with fast translation rates up to 3.5 mm/h. Both RbSr 2 Br 5 :Eu and RbSr 2 I 5 :Eu had high scintillation performance, including light yields of 46,000 and 61,000 ph/MeV, respectively, for Ø22 × 35 mm crystals. Additionally, properties related to physical stability were investigated, including the coefficients of thermal expansion via high-temperature X-ray diffraction (HTXRD) as well as moisture sensitivity. HTXRD confirmed the absence of solid–solid phase transitions and showed that RbSr 2 Br 5 had minimal thermal expansion anisotropy compared to RbSr 2 I 5 and some other inorganic metal halide scintillators, which favors the growth of large-sized crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations

The encapsulation and commoditization of electronic structure arise naturally as interoperability, and the use of nontraditional compute resources (e.g., new hardware accelerators, cloud computing) remains important for the computational chemistry community. Here, we present TERACHEM CLOUD, a high-performance computing service (HPCS) that offers on-demand electronic structure calculations on both traditional HPC clusters and cloud-based hardware. The framework is designed using off-the-shelf web technologies and containerization to be extremely scalable and portable. Within the HPCS model, users can quickly develop new methods and algorithms in an interactive environment on their laptop while allowing TERACHEM CLOUD to distribute ab initio calculations across all available resources. This approach greatly increases the accessibility of hardware accelerators such as graphics processing units (GPUs) and flexibility for the development of new methods as additional electronic structure packages are integrated into the framework as alternative backends. Cost-performance analysis indicates that traditional nodes are the most cost-effective long-term solution, but commercial cloud providers offer cutting-edge hardware with competitive rates for short-term large-scale calculations. We demonstrate the power of the TERACHEM CLOUD framework by carrying out several showcase calculations, including the generation of 300,000 density functional theory energy and gradient evaluations on medium-sized organic molecules and reproducing 300 fs of nonadiabatic dynamics on the B800-B850 antenna complex in LH2, with the latter demonstration using over 50 Tesla V100 GPUs in a commercial cloud environment in 8 h for approximately $1250.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

What is the Role of Nb in Nickel-Rich Layered Oxide Cathodes for Lithium-Ion Batteries?

Nickel-rich layered metal oxide LiNi 1–y–z Mn y Co z O 2 (1 – y – z ≥ 0.8) materials are the most promising cathodes for next-generation lithium-ion batteries in electric vehicles. However, they lose more than 10% of their capacity on the first cycle, and interfacial/structural instability causes capacity fading. Coating and substitution are possible direct and effective solutions to solve these challenges. In this Letter, Nb coating and Nb substitution on LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) is easily produced through a scalable wet chemistry method followed by sintering from 400 to 800 °C. A Li-free Nb oxide treatment is found to remove surface impurities forming a LiNbO 3 /Li 3 NbO 4 surface coating, to reduce the first capacity loss and to improve the rate performance. Furthermore, Nb substitution stabilizes the structure, as evidenced by less heat evolution on heating, thus providing better long cycling stability with a 93.2% capacity retention after 250 cycles.

36 MATERIALS SCIENCE↗