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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
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

Trimerized small-molecule acceptors enable high-performance organic solar cells with high open-circuit voltage and prolonged life-time

Although the recent development of Y-series small-molecule acceptors (SMAs) has led to a dramatic increase in the power conversion efficiency (PCE) of organic solar cells (OSCs), the operational stability (device lifetime) of OSCs is inadequate for commercialization. In this study, we develop a new trimer acceptor (TYT), consisting of three Y-based molecules linked by electron-donating spacers, to realize an OSC with high-performance (PCE > 18%) and -stability (t 80% lifetime > 8000 h under 1 sun illumination, in which t 80% lifetime is the time required for the PCE of the OSC to reach 80% of its initial value). We demonstrate that the trimerization approach affords an acceptor, TYT, with an upshifted lowest unoccupied molecular orbital energy level, which, in turn, affords an efficient OSC with a high open-circuit voltage (0.964 V). In addition, the glass-transition temperature (T g ) of TYT (217 °C) is significantly higher than those of monomer (MYT, T g = 80 °C) and dimer (DYT, T g = 127 °C) acceptors, which effectively suppresses the molecular diffusion of TYT in a blend film with a polymer donor. Accordingly, a TYT-based OSC demonstrates a high PCE (18.2%) and long t 80% lifetime under 1 sun illumination (8454 h), outperforming MYT- and DYT-based OSCs that exhibit PCEs and t 80% lifetimes of 16.4% and 35 h, and 17.3% and 2551 h, respectively. Therefore, this study provides important guidelines for the design of electron acceptors in achieving OSCs with high performance and stability close to a commercial level.

14 SOLAR ENERGY↗
DOE OSTI2017

Stable Low-Current Electrodeposition of α-MnO 2 on Superaligned Electrospun Carbon Nanofibers for High-Performance Energy Storage

Metal oxide/carbonaceous nanomaterials are promising candidates for energy-storage applications. Yet, inhomogeneous mass and charge transfer across the electrode/electrolyte interface due to unstable metal oxide/carbonaceous nanomaterial synthesis limit their performance in supercapacitors. Here, it is shown that the above problems can be mitigated through stable low-current electrodeposition of MnO 2 on superaligned electrospun carbon nanofibers (ECNFs). The key to this method is coupling a self-designed four steel poles collector for aligned ECNFs and a constant lowcurrent (40 μA) electrodeposition technique to form a uniform Na + -induced α-MnO 2 film which proceeds by a time-dependent growth mechanism involving cluster-“kebab” structures and ending with a compact, uniform MnO 2 film for high-performance energy storage.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Self-scanned photodiode array - High performance operation in high dispersion astronomical spectrophotometry

A multichannel spectrophotometric detector system has been developed using a 1024 element self-scanned silicon photodiode array, which is now in routine operation with the high-dispersion coude spectrograph of the University of Texas McDonald Observatory 2.7-m telescope. Operational considerations in the use of such arrays for high precision and low light level spectrophotometry are discussed. A detailed description of the system is presented. Performance of the detector as measured in the laboratory and on astronomical program objects is described, and it is shown that these arrays are highly effective detectors for high dispersion astronomical spectroscopy.

Vogt, S. S.↗
DOE OSTI2019

Inorganic Gel-Derived Metallic Frameworks Enabling High-Performance Silicon Anodes

Metallic matrix materials have emerged as an ideal platform to hybridize with next-generation electrode materials such as silicon for practical applications in Li-ion batteries. However, these metallic species commonly exist in the form of isolated particles, failing to provide enough free space for silicon volume changes as well as continuous charge transport pathways. Herein, three-dimensional (3D) metallic frameworks with interconnected pore channels and conductive skeletons, have been synthesized from inorganic gel precursors as buffering/conducting matrices to boost lithium storage performance of silicon anodes. As a proof-of-concept demonstration, commercial Si particles are in situ immobilized within the Sn–Ni alloy framework via a facile gel-reduction route, and the rearrangement of Si particles during cycling increases the dispersity of Si in the Sn–Ni framework as well as their synergic effects toward lithium storage. Furthermore, the Si@Sn–Ni all-metallic framework manifests high structural integrity, 3D Li + /e – mixed conduction pathway, and synergic effects of interfacial bonding and concurrent reaction dynamics between active Si and Sn, enabling long-term cycle life (1205 mA h g –1 after 100 cycles at 0.5 A g –1 ) and superior rate capability (653 mA h g –1 at 10 A g –1 ).

25 ENERGY STORAGE↗
DOE OSTI2022

High-performance and high-fidelity Monte Carlo solutions to the BEAVRS benchmark

The BEAVRS (Benchmark for Evaluation and Validation of Reactor Simulation) benchmark is solved by PRAGMA, the GPU-based continuous energy Monte Carlo code. The resulting solutions are comprised of the detailed simulation results of two cycles, each of which consists of the zero power physics test (ZPPT) and the core depletion calculations. The ZPPT consists of characteristic parameters, such as critical boron concentration (CBC), control rod bank worth, isothermal temperature coefficients, and assembly-wise detector signal, which are compared with measured data provided by the benchmark administration. The core depletion calculations were performed for both the hot full power and the load follow modes, and the comparison was made with the measured or deduced CBCs and assembly-wise detector signals. In the load follow calculations, the operating power history was approximately applied to simulate the real operation as closely as possible. PRAGMA performed the various calculations with a tremendous number of histories ranging up to hundreds of millions per cycle, exploiting GPUs' massively parallel performance. The load follow run time was shorter than 16 hours on a single rack of computing nodes mounded with 24 gaming GPUs with a remarkable agreement with the measurements for most comparisons. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

High-throughput design of high-performance lightweight high-entropy alloys

Developing affordable and light high-temperature materials alternative to Ni-base superalloys has significantly increased the efforts in designing advanced ferritic superalloys. However, currently developed ferritic superalloys still exhibit low high-temperature strengths, which limits their usage. Here we use a CALPHAD-based high-throughput computational method to design light, strong, and low-cost high-entropy alloys for elevated-temperature applications. Through the high-throughput screening, precipitation-strengthened lightweight high-entropy alloys are discovered from thousands of initial compositions, which exhibit enhanced strengths compared to other counterparts at room and elevated temperatures. The experimental and theoretical understanding of both successful and failed cases in their strengthening mechanisms and order-disorder transitions further improves the accuracy of the thermodynamic database of the discovered alloy system. This study shows that integrating high-throughput screening, multiscale modeling, and experimental validation proves to be efficient and useful in accelerating the discovery of advanced precipitation-strengthened structural materials tuned by the high-entropy alloy concept.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The Kokkos EcoSystem: Comprehensive Performance Portability For High Performance Computing

State of the art Engineering and Science codes have grown in complexity dramatically over the last two decades. As a consequence application teams have adopted more sophisticated development strategies, leveraging third party libraries, deploying comprehensive testing and using advanced debugging and profiling tools. In todays environment of diverse hardware platforms, these applications also desire performance portability - avoiding the need to duplicate work for various platforms - which makes it necessary that these tools and libraries also work across the various systems. The Kokkos EcoSystem provides that portable software stack. Based on the Kokkos Core Programming Model, the EcoSystem provides math libraries, interoperability capabilities with Python and Fortran, and Tools for analysing, debugging, and optimizing applications. In this paper we will provide an overview of the components, discuss some specific use cases, and highlight how co-designing these components enables a more developer friendly experience.

42 ENGINEERING↗
DOE OSTI2019

STTR Phase I: Microfluidic Printing of High Performance Microgrids for High Efficiency, Flexible Organic Light Emitting Diodes Technical Report

Electroninks has been approached, and received strong interest from customers including chemical companies, device integrators, and final device producers. We have gained substantial customer traction in diverse markets as detailed in our Phase I report, and are currently sampling customers in the US, as well as Asia which is where the consumer/industry electronics supply chain is primarily positioned. The results reported here combined with our customer traction to date encourage us to apply for the Phase II stage of this work with the goal to advance the commercialization of our metal grids and particle free conductive inks.

LeMieux, PhD, Melbs↗