Search NASA⌕ Search

SEARCH · Search NASA

Results for “Conversion methods”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Delayed Neutron Precursor Group Parameter and Spectra Generation from Fast Fission of 235U in SCALE

Delayed neutron precursor (DNP) group data are important for modeling reactor dynamics. Although the data for individual DNPs have been developed over time, the DNP group data present in the Evaluated Nuclear Data Files (ENDF) have not been updated in the past 20 years. In this work, we use SCALE to recreate the Godiva experiment that was used to generate the original DNP group structure for fast fission of 235U. However, each DNP is modeled using up-to-date data, and the results are then converted into a newly updated group structure. This conversion uses an iterative linear least squares solver to minimize chi-squared. The approaches used in this work also enable energy spectrum generation and uncertainty tracking. The method used in this paper for fast 235U fission DNP group structure updating can be applied to different energies and fissile nuclides. Demonstration of the uncertainty tracking in reactor kinetics and dynamics simulations is shown using point reactor kinetics simulations. Results show that there are data discrepancies between the International Atomic Energy Agency database and data used in ORIGEN, which are currently being fixed. Results also show that the proposed method for group spectra generation performs well.

Seifert, Luke [University of Illinois]↗
DOE OSTI2021

Gallium Nitride Superjunction Fin Field Effect Transistor (Continued Funding Report)

The goal of this project is to develop the gallium vacancy assisted diffusion (GAID) method in GaN and apply it to demonstrate 2-terminal, 3-terminal, and large area Superjunction-enhanced modules. These devices will find use in high efficiency power conversion applications with the capability of operating at higher voltages, higher frequency, and less loss than comparable stat-of- the-art devices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Gallium Nitride Superjunction Transistor (Continued Funding Report)

The initial goal of this project is to develop the gallium vacancy assisted diffusion (GAID) method in GaN and apply it to demonstrate 2-terminal, 3-terminal, and large area Superjunction-enhanced modules. These devices will find use in high efficiency power conversion applications with the capability of operating at higher voltages, higher frequency, and less loss than comparable stat-ofthe-art devices. The approach of this project has been to utilize simulation tools to drive diffusion experiments and inform semiconductor device fabrication processes. VASP has been relied upon to simulate first principles diffusion mechanisms while SILVACO TCAD has been utilized to understand tradeoffs of the the critical dimensions in GaN devices.

42 ENGINEERING↗
DOE OSTI2023

Development of In-Situ Chlorine Generator for Metal Purification (End of Contract Report)

It has been demonstrated that rare-earth and actinide metals can be purified via conversion to chlorides and heating to volatilize impurities. To this end, BYU has been working towards designing, building, and testing a system that incorporates the chlorine gas generation method into the chloride volatility process. The efforts made towards the project tasks listed in the Statement of Work are addressed in the following sections. Finally, a report on information related to this project that has been published or presented is addressed. By the end of the contract period, small-scale tests using LaCl 3 -CaCl 2 to generate Cl 2 had been conducted, the produced Cl 2 was successfully reacted with Ce foil to create CeCl 3 , initial designs for the large-scale apparatus were completed, and manufacturing for the large-scale apparatus had begun.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

BETO 2021 Peer Review - Continuous Enzymatic Hydrolysis Development (CEHD) WBS 2.4.1.101

The Continuous Enzymatic Hydrolysis Development (CEHD) project aims to reduce the cost and commercialization scale-up risks of biorefinery sugar-lignin production through development of a deployable continuous enzymatic hydrolysis (CEH) process. Through the use of external cross flow membrane filtration loops coupled to enzymatic hydrolysis (EH) reactors, pretreated biomass solids and enzymes are retained for reaction while solubilized product sugars are removed in situ, with high extents of conversion achieved through a series of reactor-membrane unit stages. The CEHD project is focused on advancing CEH as a transformational, process-intensified, lower-cost method for producing soluble clarified biomass sugars and insoluble lignin-rich streams than traditional batch enzymatic hydrolysis (BEH). The project's primary objective is to reduce the cost of CEH to be compellingly lower than conventional BEH, 10% lower in year 1 and 20% lower in year 3 (end of project). A related objective is to expand CEH's operating envelope to increase process efficiency. Through more thorough de-risking and demonstration of CEH, in conjunction with building a suite of modeling and optimization tools that allow for more facile rigorous in silico evaluation of novel CEH designs and modalities, this project intends to elevate industry interest in adopting CEH as an improvement over conventional batch processing. This project was merit reviewed in FY20. It's now in its first year of a new 3-year plan spanning FY21-FY23.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Virtual Engineering of Low-Temperature Conversion

In this work, we present the development of an overarching software framework and supporting multiphysics models to simulate the end-to-end process of biomass conversion. This virtual engineering (VE) software is designed with the goal of accelerating research and development and reducing risk for market-relevant biomass conversion processes. We currently support multiple models, computing paradigms, and fidelities representing the steps of feedstock pretreatment, enzymatic hydrolysis, and bioconversion. Although this VE approach was developed to support a biomass workflow, we have designed each component in a way that allows us to easily support new domains, unit models, and feedstocks. We begin by presenting the user-facing aspects of the VE software and highlight how simulated elements are defined and linked by VE functions. We then present an overview of the high-fidelity computational fluid dynamics (CFD) models developed to support our target domain before segueing into our efforts to develop accurate and fast surrogate models, capturing the salient outcomes from the CFD simulations in a significantly less computationally demanding manner. We then present how VE calculations interface with a commercial techno-economic analysis software, Aspen Plus. We conclude by presenting VE case studies that leverage these methods and discuss how our methods can be extended to support a wide variety of accelerated biofuel commercialization pathways in the future.

biofuel↗
DOE OSTI2017

Multimodal emissions from Tb{sup 3+}/Yb{sup 3+} co-doped lithium borate glass: Upconversion, downshifting and quantum cutting

This paper reports the optical properties of Tb{sup 3+}/Yb{sup 3+} co-doped lithium borate (LB) glass prepared by melt quench method. The absorption spectrum of the Yb{sup 3+} doped LB glass contains intense NIR band centered at 976 nm due to {sup 2}F{sub 7/2}→{sup 2}F{sub 5/2} transition. The emission spectra of the prepared glasses have been monitored on excitation with 266, 355 and 976 nm. The Yb{sup 3+} doped glass emits a broad NIR band centered at 976 nm whereas the Tb{sup 3+} doped glass gives off visible bands on excitations with 266 and 355 nm. When the Tb{sup 3+} and Yb{sup 3+} ions are co-doped together, the emission intensity in the visible region decreases whereas it increases in the NIR region significantly. The increase in the emission intensity in the NIR region is due to efficient cooperative energy transfer (CET) from Tb{sup 3+} to Yb{sup 3+} ions. The quantum cutting efficiency for Tb{sup 3+}/Yb{sup 3+} co-doped glass has been calculated and compared for 266 and 355 nm excitations. The quantum cutting efficiency is larger for 355 nm excitation (137%). The Tb{sup 3+}/Yb{sup 3+} co-doped LB glass also emits upconverted visible bands on excitation with 976 nm. The mechanisms involved in the energy transfer have been discussed using schematic energy level diagram. The Tb{sup 3+}/Yb{sup 3+} co-doped LB glass may be used in the optical devices and in solar cell for solar spectral conversion and behaves as a multi-modal photo-luminescent material. - Graphical abstract: The Tb{sup 3+}/Yb{sup 3+} co-doped lithium borate (LB) glass prepared by melt quench method emits upconverted visible emissions through upconversion CET from Yb{sup 3+} to Tb{sup 3+} ions and quantum cutting emissions through downconversion CET from Tb{sup 3+} to Yb{sup 3+} ions. Therefore, the Tb{sup 3+}/Yb{sup 3+} co-doped LB glass may find applications in optical devices and solar cell and behaves as a multi-modal photo-luminescent material. - Highlights: • The Tb{sup 3+}/Yb{sup 3+} co-doped lithium borate (LB) glass prepared by melt quench method. • The Tb{sup 3+}/Yb{sup 3+} co-doped glass gives QC emissions upon 266 and 355 nm excitations. • The Tb{sup 3+}/Yb{sup 3+} co-doped glass also emits intense green color on excitation with 976 nm. • The quantum cutting efficiency is larger for 355 nm excitation (137%). • The Tb{sup 3+}/Yb{sup 3+} co-doped glass may be used in solar cell and display devices.

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

Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO 2

The polaronic effects at the atomic level hold paramount significance for advancing the efficacy of transition metal oxides in applications pertinent to renewable energy. The lattice–distortion mediated localization of photoexcited carriers in the form of polarons plays a pivotal role in the photocatalysis. This investigation focuses on rutile TiO 2 , an important material extensively explored for solar energy conversion in artificial photosynthesis, specifically targeting the generation of green H 2 through photoelectrochemical (PEC) H 2 O splitting. By employing Hubbard-U corrected and hybrid density functional theory (DFT) methods, we systematically probe the polaronic effects in the catalysis of oxygen evolution reaction (OER) on the (110) surface of rutile TiO 2 . Theoretical understanding of polarons within the surface, coupled with simulations of OER at distinct titanium (Ti) and oxygen (O) active sites, reveals diverse polaron formation energies within the lattice sites with strong preference for bulk and surface bridge (O b ) oxygen sites. Moreover, we provide the evidence for the facilitative role of polarons in OER. Here, we find that hole polarons situated at the equatorial oxygen sites near the Ti–active site, along with bridge site hole polarons distal from the O b active site yield a small reduction in OER overpotential by ~0.06 eV and ~0.12 eV, respectively. However, subsurface, equatorial, and bridge site hole polarons significantly reduce the Ti-active site OER overpotential by ~0.4 eV through the peroxo–type oxygen pathway. We also observe that the presence of hole polarons stabilizes the *OH, *O, and *OOH intermediate species compared to the scenario without hole polarons. Overall, this study provides a detailed mechanistic insight into polaron–mediated OER, offering a promising avenue for improving the catalytic activity of transition metal oxide-based photocatalysts catering to renewable energy requisites.

14 SOLAR ENERGY↗
DOE OSTI2023

Hardware-in-the-Loop Efficiency Analysis of Tidal Power Systems

Marine renewable energy presents an opportunity for sustainable power in areas located near and in the marine environment. In particular, tidal energy offers a consistent and reliable resource. However, tidal energy harvesting systems seeking to take advantage of this resource face challenges associated with power electronics. Power conversion electronics struggle with low efficiencies, lack of off-the-shelf options for small-scale energy harvesting systems, and limited opportunities for testing with deployed turbines. This work demonstrates a hardware-in-the-loop experimental design and methodology for characterizing efficiency of tidal turbine power electronics and control methods. The suggested method removes barriers to testing these power electronics by eliminating the need for a physical tidal turbine and generator to produce accurate harvested tidal power profiles.

tidal turbine, hardware-in-the-loop, energy conver↗
DOE OSTI2017

H i, CO, and Dust in the Perseus Cloud

Comparison analyses between the gas emission data (H I 21 cm line and CO 2.6 mm line) and the Planck/IRAS dust emission data (optical depth at 353 GHz τ{sub 353} and dust temperature T{sub d}) allow us to estimate the amount and distribution of the hydrogen gas more accurately, and our previous studies revealed the existence of a large amount of optically thick H I gas in the solar neighborhood. Referring to this, we discuss the neutral hydrogen gas around the Perseus cloud in the present paper. By using the J-band extinction data, we found that τ{sub 353} increases as a function of the 1.3th power of column number density of the total hydrogen (N{sub H}), and this implies dust evolution in high density regions. This calibrated τ{sub 353}--N{sub H} relationship shows that the amount of the H I gas can be underestimated to be ∼60% if the optically thin H I method is used. Based on this relationship, we calculated the optical depth of the 21 cm line (τ{sub HI}) and found that 〈τ{sub HI}〉∼0.92 around the molecular cloud. The effect of τ{sub HI} is still significant, even if we take into account the dust evolution. We also estimated a spatial distribution of the CO-to-H{sub 2} conversion factor (X{sub CO}), and we found its average value is 〈X{sub CO}〉∼1.0×10{sup 20} cm{sup −2} K{sup −1} km{sup −1} s. Although these results are inconsistent with some previous studies, these discrepancies can be well explained by the difference of the data and analyses methods.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Zeolite‐Based Catalysts for Conversion of Oxygenated Polymer Waste by Positron Annihilation

Positron Annihilation Lifetime Spectroscopy (PALS) has been employed to investigate the catalysts HZSM-5 and MESO−Y, which play a pivotal role in catalyzing and upgrading plastics, with a primary focus on oxygenated polymers, thereby transforming existing plastic materials into simpler, higher-quality value-added products. Here, in this study, PALS was systematically compared with other complementary analytical techniques. The research outcomes have successfully demonstrated the efficacy of PALS in elucidating the morphology and topology of zeolites at micro/meso-meter scales. The first experiment focuses on H-ZSM-5 zeolite subjected to treatments involving polyurethane and polypropylene. The second experiment delves into H-ZSM-5 zeolites with varying Si/Al ratios, both before and after conversion. The third experiment investigates Y zeolites that are surfactant templated to induce meso-porosity, examining their fresh state as well as their post-conversion condition. The PALS analysis was supplemented by BET (Brunauer-Emmett-Teller) analysis and NMR (Nuclear Magnetic Resonance) spectroscopies. Notably, PALS exhibits superior sensitivity, at the sub-nanometer scale, suggesting its potential as a preferred complementary method for catalysis studies. In conclusion, the integration of PALS into the repertoire of analytical tools enhances our understanding of catalyst behavior and catalytic processes, offering valuable insights for the advancement of plastic recycling and catalysis research.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗
DOE OSTI2015

Geobacteraceae strains and methods

Embodiments of the present invention provide a method of producing genetically modified strains of electricigenic microbes that are specifically adapted for the production of electrical current in microbial fuel cells, as well as strains produced by such methods and fuel cells using such strains. In preferred embodiments, the present invention provides genetically modified strains of Geobacter sulfurreducens and methods of using such strains.

09 BIOMASS FUELS↗
DOE OSTI2015

Full-dimensional multilayer multiconfigurational time-dependent Hartree study of electron transfer dynamics in the anthracene/C60 complex

Electron transfer at the donor-acceptor heterojunctions plays a critical role in the photoinduced process during the solar energy conversion in organic photovoltaic materials. We theoretically investigate the electron transfer process in the anthracene/C60 donor-acceptor complex by using quantum dynamics calculations. The electron-transfer model Hamiltonian with full dimensionality was built by quantum-chemical calculations. The quantum dynamics calculations were performed using the multiconfigurational time-dependent Hartree (MCTDH) theory and multilayer (ML) MCTDH methods. The latter approach (ML-MCTDH) allows us to conduct the comprehensive study on the quantum evolution of the full-dimensional electron-transfer model including 4 electronic states and 246 vibrational degrees of freedom. Our quantum dynamics calculations exhibit the ultrafast anthracene → C60 charge transfer process because of the strong coupling between excitonic and charge transfer states. This work demonstrates that the ML-MCTDH is a very powerful method to treat the quantum evolution of complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Controllable synthesis and down-conversion properties of flower-like NaY(MoO{sub 4}){sub 2} microcrystals via polyvinylpyrrolidone-mediated

Double alkaline rare-earth molybdates NaY(MoO{sub 4}){sub 2} with multilayered flower-like architectures have been successfully synthesized via hydrothermal method in polyvinylpyrrolidone (PVP)-modified processes. The crystal structure and morphology of the obtained products were characterized by X-ray diffraction, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). It was found that reaction time and the amount of PVP have crucial influences on the morphology of the resulting novel microstructures. Under 450 nm excitation, Ho{sup 3+}/Yb{sup 3+} co-doped NaY(MoO{sub 4}){sub 2} samples exhibit 539 nm green emission and 960–1200 nm broadband near-infrared emission, corresponding to the characteristic lines of Ho{sup 3+} and Yb{sup 3+}, respectively. Moreover, increasing Yb{sup 3+} doping enhances the energy transfer efficiency from Ho{sup 3+} to Yb{sup 3+}. - Graphical abstract: Low and high-magnification SEM images demonstrate the perfect flower-like NaY(MoO{sub 4}){sub 2} prepared in the presence of PVP; Detailed TEM and HRTEM images further manifest the single-crystalline feature. Highlights: • NaY(MoO{sub 4}){sub 2} flower-like microstructures were synthesized by hydrothermal method using polyvinylpyrrolidone. • Polyvinylpyrrolidone induces the growth of the NaY(MoO{sub 4}){sub 2} to form multilayered architectures. • Flowerlike NaY(MoO{sub 4}){sub 2}: Ho{sup 3+}, Yb{sup 3+} phosphors were investigated as a downconversion layer candidate.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Amine-Assisted Ligand-Exchange Method to Enhance Photovoltaic Parameters in FAPbI3 Nanocrystal Solar Cells

Perovskite colloidal nanocrystals (PeNCs) have exceptional optoelectronic properties and phase stability, making them promising for photovoltaic applications. However, insulating ligands on PeNC surfaces limit the current density and reduce the power conversion efficiency (PCE) in PeNC solar cells (SCs). This study introduces an amine-assisted ligand-exchange (ALE) strategy using 3-phenyl-1-propylamine (3P1P) to effectively remove long ligands from PeNC films. ALE reduced long-chain ligand density without increasing the number of defect states and therefore reduced the exciton-binding energy of FAPbI3 NC films. These changes facilitated exciton dissociation and charge transport in FAPbI3 PeNC SCs. The facilitation of exciton dissociation was due to the increased magnetic dipole interaction between excitons after the ALE process. The use of ALE achieved FAPbI3 PeNC SCs that had an improved short-circuit current density of 17.98 mA/cm2 and a PCE of 15.56% with improved stability after the treatment and negligible hysteresis. This work provides new insight into engineering PeNC films.

amines↗
DOE OSTI2014

AB INITIO Modeling of Thermomechanical Properties of Mo-Based Alloys for Fossil Energy Conversion

In this final scientific/technical report covering the period of 3.5 years started on July 1, 2011, we report the accomplishments on the study of thermo-mechanical properties of Mo-based intermetallic compounds under NETL support. These include computational method development, physical properties investigation of Mo-based compounds and alloys. The main focus is on the mechanical and thermo mechanical properties at high temperature since these are the most crucial properties for their potential applications. In particular, recent development of applying ab initio molecular dynamic (AIMD) simulations to the T1 (Mo 5 Si 3 ) and T2 (Mo 5 SiB 2 ) phases are highlighted for alloy design in further improving their properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Refined Method to Translate Solar Data Quality Assessment Flags to Estimated Measurement Uncertainty

Integrating solar resource uncertainties due to radiometer measurement performance and operational data quality assessment can provide improved estimates of economic bankability, system design performance, and compliance of solar energy conversion systems. Estimating radiometer measurement uncertainty is an established procedure consistent with recognized best practices and international guidelines. SERI QC is a robust solar data quality assessment software tool that has been in continuous use for more than three decades. This report, the fourth of six for the Data Quality and Uncertainty Integration Project, presents a refined algorithm description for software to translate solar resource data quality assessment results into estimated uncertainty values in a Solar Resource Operational Uncertainty Integrator (SROUI) application. This algorithm requires three-component solar irradiance measurements - global horizontal irradiance, direct normal irradiance, and diffuse horizontal irradiance - collected at 1- to 60-minute intervals, as described in the previous deliverables. The development of this report as Deliverable 6.4 was an iterative process that included reviews and feedback from the project team on initial drafts designed to refine how the new software could best support determining solar resource data uncertainty. The results of this effort will contribute to the final software system development by National Renewable Energy Laboratory staff.

14 SOLAR ENERGY↗
DOE OSTI2023

Biocatalytic microcapsules for catalyzing gas conversion

According to one embodiment, a microcapsule for selective catalysis of gases, the microcapsule comprising: a polymeric shell permeable to one or more target gases; and at least one biocatalyst disposed in an interior of the polymeric shell. In more embodiments, methods of forming such microcapsules include: emulsifying at least one biocatalyst in a polymer precursor mixture; emulsifying the polymer precursor mixture in an aqueous carrier solution; crosslinking one or more polymer precursors of the polymer precursor mixture to form a plurality of microcapsules each independently comprising: a polymeric shell permeable to one or more target gases; and at least one biocatalyst disposed in an interior of the polymeric shell. In further embodiments, corresponding methods of using the inventive microcapsules for catalyzing one or more target gases using include: exposing a plurality of the biocatalytic microcapsules to the one or more target gases.

36 MATERIALS SCIENCE↗