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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Design of additively manufactured methanol conversion reactor for high throughput production

Additively manufactured methanol conversion reactor was designed and fabricated for high throughput fuel production while capturing carbon dioxide. Here, the reactor designed is part of large effort in integrating electrolyzer and catalytic reactor system. Processing in fabricating the steel, titanium, and nickel alloy reactors were optimized to improve the catalyst deposition process and reaction efficiency. Microstructure of the additively manufactured reactors were characterized. General design is utilized to improve the performance of the reactor while exploring the benefit of freeform in additive manufacturing.

08 HYDROGEN↗
DOE OSTI2019

The Itinerant 2D Electron Gas of the Indium Oxide (111) Surface: Implications for Carbon‐ and Energy‐Conversion Applications

Abstract Transparent conducting oxides (TCO) have integral and emerging roles in photovoltaic, thermoelectric energy conversion, and more recently, photocatalytic systems. The functional properties of TCOs, and thus their role in these applications, are often mediated by the bulk electronic band structure but are also strongly influenced by the electronic structure of the native surface 2D electron gas (2DEG), particularly under operating conditions. This study investigates the 2DEG, and its response to changes in chemistry, at the (111) surface of the model TCO In 2 O 3 , through angle resolved and core level X‐ray photoemission spectroscopy. It is found that the itinerant charge carriers of the 2DEG reside in two quantum well subbands penetrating up to 65 Å below the surface. The charge carrier concentration of this 2DEG, and thus the high surface n‐type conductivity, emerges from donor‐type oxygen vacancies of surface character and proves to be remarkably robust against surface absorbents and contamination. The optical transparency, however, may rely on the presence of ubiquitous surface adsorbed oxygen groups and hydrogen defect states that passivate localized oxygen vacancy states in the bandgap of In 2 O 3 .

Jovic, Vedran↗
DOE OSTI2024

Four–Terminal Perovskite–CdSeTe Tandem Solar Cells: From 25% toward 30% Power Conversion Efficiency and Beyond

Thin-film tandem photovoltaic (PV) technology has emerged as a promising avenue to enhance power conversion efficiency beyond the radiative efficiency limit of single-junction devices. Combining a tunable wide-bandgap perovskite cell with a commercially established narrow-bandgap cadmium selenium telluride (CdSeTe) cell in a comparatively easy-to-fabricate four-terminal (4-T) arrangement is a great step in that direction. Herein, the impact of the transparent back contact and the perovskite absorber bandgap on the performance of 4-T perovskite–CdSeTe tandem solar cells is investigated. 4-T perovskite–CdSeTe tandem device architecture with ≈25% efficiency is demonstrated and a feasible pathway is shown to improve the tandem efficiency to more than 30%. Furthermore, the results show that the integration of CdSeTe with perovskite in 4-T tandem PV configurations represents a significant advancement toward achieving higher efficiency and low-cost tandem PVs.

14 SOLAR ENERGY↗
DOE OSTI2021

Axion/hidden-photon dark matter conversion into condensed matter axion

The QCD axion or axion-like particles are candidates of dark matter of the universe. On the other hand, axion-like excitations exist in certain condensed matter systems, which implies that there can be interactions of dark matter particles with condensed matter axions. We discuss the relationship between the condensed matter axion and a collective spin-wave excitation in an anti-ferromagnetic insulator at the quantum level. The conversion rate of the light dark matter, such as the elementary particle axion or hidden photon, into the condensed matter axion is estimated for the discovery of the dark matter signals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A Converse to Lieb–Robinson Bounds in One Dimension Using Index Theory

Abstract Unitary dynamics with a strict causal cone (or “light cone”) have been studied extensively, under the name of quantum cellular automata (QCAs). In particular, QCAs in one dimension have been completely classified by an index theory. Physical systems often exhibit only approximate causal cones; Hamiltonian evolutions on the lattice satisfy Lieb–Robinson bounds rather than strict locality. This motivates us to study approximately locality preserving unitaries (ALPUs). We show that the index theory is robust and completely extends to one-dimensional ALPUs. As a consequence, we achieve a converse to the Lieb–Robinson bounds: any ALPU of index zero can be exactly generated by some time-dependent, quasi-local Hamiltonian in constant time. For the special case of finite chains with open boundaries, any unitary satisfying the Lieb–Robinson bound may be generated by such a Hamiltonian. We also discuss some results on the stability of operator algebras which may be of independent interest.

Physics↗
DOE OSTI2016

Ionic liquid-tolerant microorganisms and microbial communities for lignocellulose conversion to bioproducts

Chemical and physical pretreatment of biomass is a critical step in the conversion of lignocellulose to biofuels and bioproducts. Ionic liquid (IL) pretreatment has attracted significant attention due to the unique ability of certain ILs to solubilize some or all components of the plant cell wall. However, these ILs inhibit not only the enzyme activities but also the growth and productivity of microorganisms used in downstream hydrolysis and fermentation processes. While pretreated biomass can be washed to remove residual IL and reduce inhibition, extensive washing is costly and not feasible in large-scale processes. IL-tolerant microorganisms and microbial communities have been discovered from environmental samples and studies begun to elucidate mechanisms of IL tolerance. The discovery of IL tolerance in environmental microbial communities and individual microbes has lead to the proposal of molecular mechanisms of resistance. Here, we review recent progress on discovering IL-tolerant microorganisms, identifying metabolic pathways and mechanisms of tolerance, and engineering microorganisms for IL tolerance. Research in these areas will yield new approaches to overcome inhibition in lignocellulosic biomass bioconversion processes and increase opportunities for the use of ILs in biomass pretreatment.

09 BIOMASS FUELS↗
DOE OSTI2015

Seventeen Years’ Experience of Late Open Surgical Conversion after Failed Endovascular Abdominal Aortic Aneurysm Repair with 13 Variant Devices

PurposeTo investigate the causes and results of late open surgical conversion (LOSC) after failed abdominal aortic aneurysm repair (EVAR) and to summarize our 17 years’ experience with 13 various endografts.MethodsRetrospective data from August 1994 to January 2011 were analyzed at our center. The various devices’ implant time, the types of devices, the rates and causes of LOSC, and the procedures and results of LOSC were analyzed and evaluated.ResultsA total of 1729 endovascular aneurysm repairs were performed in our single center (Nuremberg South Hospital) with 13 various devices within 17 years. The median follow-up period was 51 months (range 9–119 months). Among them, 77 patients with infrarenal abdominal aortic aneurysms received LOSC. The LOSC rate was 4.5 % (77 of 1729). The LOSC rates were significantly different before and after January 2002 (p < 0.001). The reasons of LOSC were mainly large type I endoleaks (n = 51) that were hard to repair by endovascular techniques. For the LOSC procedure, 71 cases were elective and 6 were emergent. The perioperative mortality was 5.2 % (4 of 77): 1 was elective (due to septic shock) and 3 were urgent (due to hemorrhagic shock).ConclusionLarge type I endoleaks were the main reasons for LOSC. The improvement of devices and operators’ experience may decrease the LOSC rate. Urgent LOSC resulted in a high mortality rate, while selective LOSC was relatively safe with significantly lower mortality rate. Early intervention, full preparation, and timely LOSC are important for patients who require LOSC.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Core Conversion of VVR-K Research Reactors

The conversion of the VVR-K research reactor to low-enrichment uranium fuel includes switching to a compact core with low-enrichment uranium and gradually transitioning from a light-water side reflector to a beryllium reflector with restoration of the working reactivity margin without makeup with fresh fuel. In 2015, the reactor was stopped in order to modernize the main elements of the core, the control and protection system for the channels of the working rods, and the emergency electric power source. First criticality of VVR-K with low-enrichment fuel followed by first start of the reactor occurred in spring 2016. The VVR-KN type FA specially developed for VVR-K make it possible to not only preserve but also improve the neutronphysical characteristics of the core. The design-basis reactivity margin of the working core load ~7%Δk/k is adequate for reactor operation for three 20-day cycles with ~10% average burnup reached in the central FA. The beryllium reflector is built up in stages starting at the fourth cycle. The beryllium reflector will make it possible to preserve the radial dimensions of the core and increase the neutron flux density in the central and peripheral irradiation channels.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

The Role of Sodium in Tuning Product Distribution in Syngas Conversion by Rh Catalysts

Alkali metal oxides commonly exist as impurities or promoters in syngas conversion catalysts and can significantly influence the activity and selectivity towards higher oxygenate products. In this study, we investigate the effects of sodium oxide on silica-supported Rh catalysts by experimentally introducing different amounts of sodium and monitoring the change in reactivity and CO adsorption behavior. The experimental results combined with density functional theory (DFT) calculations show that sodium selectively blocks step/defect sites on Rh surfaces, leading to reduced activity but higher C 2 oxygenate selectivity. DFT calculations also suggest that sodium present on Rh terrace sites can facilitate CO dissociation, potentially increasing C 2 oxygenate production. The overall activity and selectivity toward various products can be changed significantly based on the degree of site blocking by the added sodium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Study of the operation optical power in modified uni-traveling carrier photodetector for low amplitude to phase conversion

The phase noise known as the amplitude to phase conversion (AM–PM) in modified uni-traveling carrier photodetector (MUTC-PD) is severely power-dependent. To achieve low AM–PM operation, applying proper injection optical power will be of crucial importance. For this purpose, the characterization of the phase change between the 60-GHz sinusoidal input and RF output of a MUTC-PD is analyzed under different incident optical power. Moreover, the equation of the phase change is deduced by applying an equivalent circuit model. The results demonstrate that the power-dependent nonlinear transit time plays a key role in the phase change. Besides, the absolute phase change is observed smallest when the differential capacitance equals to zero in a typical optical power. To the best of our knowledge, this is the first demonstration of the relationship between the differential capacitance and the phase change. When the differential capacitance equals to zero, the total capacitance of the MUTC exhibits a valley which could be a measurable feature of the optimum optical power for low phase noise operation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Solar energy conversion by photosystem II: principles and structures

Photosynthetic water oxidation by Photosystem II (PSII) is a fascinating process because it sustains life on Earth and serves as a blue print for scalable synthetic catalysts required for renewable energy applications. The biophysical, computational, and structural description of this process, which started more than 50 years ago, has made tremendous progress over the past two decades, with its high-resolution crystal structures being available not only of the dark-stable state of PSII, but of all the semi-stable reaction intermediates and even some transient states. Here, we summarize the current knowledge on PSII with emphasis on the basic principles that govern the conversion of light energy to chemical energy in PSII, as well as on the illustration of the molecular structures that enable these reactions. The important remaining questions regarding the mechanism of biological water oxidation are highlighted, and one possible pathway for this fundamental reaction is described at a molecular level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Selective conversion of methane to aromatic hydrocarbons on large crystallite zeolite catalysts with mesoporous structure

Large crystallite mesoporous MFI (ZSM-5) zeolite was synthesized by using carbon nano-powder as a secondary template. The surface properties, morphological and phase composition of the synthesized material and of the commercial ZSM-5 (Zeolyst) zeolite were studied by nitrogen porosimetry, XRD and scanning electron microscopy. The results showed that the volume of mesopores volume increases with development of a secondary mesoporosity in the structure of zeolite. The obtained zeolite supports were used to prepare molybdenum-containing catalysts for the methane aromatization by solid phase preparation technique. Based on the XPS data, molybdenum particles in these catalysts are characterized by more uniform size distribution. The formation of a secondary pore structure restrains the carbon deposit formation as well as increases the methane conversion and the yield of the aromatic compounds.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Liquid-phase oxidation of cyclohexane. Elementary steps in the developed process, reactivity, catalysis, and problems of conversion and selectivity

The literature data concerning features of the kinetics and mechanisms of elementary steps of liquid-phase oxidation of cyclohexane and its oxygen derivatives are considered and analyzed. A comparison of rates of intermolecular and intramolecular reactions of cyclohexylperoxyl radicals under the industrial conditions indicated a necessity to take into account intramolecular interactions. The occurrence of cross recombination of hydroperoxyl and α-hydroxyperoxyl radicals without chain termination in the course of cyclohexanol and 2-hydroxycyclohexanol oxidation was proved. A significance of degenerate branching reactions involving cyclohexyl hydroperoxide in the industrial process of cyclohexane oxidation at 423 K was evaluated. The influence of the electron-withdrawing functional groups on the reactivity of carbon–hydrogen bonds of organic compounds in the reactions with electrophilic peroxyl radicals was studied. The low conversion of a substrate in the industrial process are mainly caused by the radicalchain oxidation of cyclohexanone leading only to by-products. The catalysts of cyclohexane oxidation, viz., compounds of variable valence metals, affect the reaction rate and ratio of the yields of the target products (cyclohexyl hydroperoxide, cyclohexanol, and cyclohexanone) but exert no effect on their relative reactivity. The use of the catalytic additives increasing the yield of cyclohexanone in the step of cyclohexane oxidation in the production of caprolactam is revealed to be inexpedient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Ohm’s Law, the Reconnection Rate, and Energy Conversion in Collisionless Magnetic Reconnection

Magnetic reconnection is a ubiquitous plasma process that transforms magnetic energy into particle energy during eruptive events throughout the universe. Reconnection not only converts energy during solar flares and geomagnetic substorms that drive space weather near Earth, but it may also play critical roles in the high energy emissions from the magnetospheres of neutron stars and black holes. In this review article, we focus on collisionless plasmas that are most relevant to reconnection in many space and astrophysical plasmas. Guided by first-principles kinetic simulations and spaceborne in-situ observations, we highlight the most recent progress in understanding this fundamental plasma process. We start by discussing the non-ideal electric field in the generalized Ohm’s law that breaks the frozen-in flux condition in ideal magnetohydrodynamics and allows magnetic reconnection to occur. We point out that this same reconnection electric field also plays an important role in sustaining the current and pressure in the current sheet and then discuss the determination of its magnitude (i.e., the reconnection rate), based on force balance and energy conservation. This approach to determining the reconnection rate is applied to kinetic current sheets with a wide variety of magnetic geometries, parameters, and background conditions. We also briefly review the key diagnostics and modeling of energy conversion around the reconnection diffusion region, seeking insights from recently developed theories. Finally, future prospects and open questions are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Single iron sites for catalytic, nonoxidative conversion of methane

In this paper we discuss how the availability of inexpensive natural gas from the fracturing of shale and as a byproduct of oil production has stimulated the investigation of catalytic processes for the direct conversion of methane to products. Efforts in this direction are further driven by the desire to avoid the generation of CO 2 and its emission to the atmosphere, as occurs when methane is steam-reformed to produce synthesis gas, a mixture of CO and H 2 that can be used for the production of fuels and chemicals via Fischer-Tropsch synthesis. During the past forty years, numerous investigators have attempted to convert methane to higher value products by either thermal dehydrogenation or by oxidative dehydrogenation. While methane can be converted to benzene and hydrogen via thermal dehydrogenation, this process is accompanied by the deposition of large amounts of coke, leading to rapid catalyst deactivation. The oxidative coupling of methane has focused on the formation of ethylene, but this chemistry is not selective and also results in a substantial combustion of methane to CO 2 and water.

Bell, Alexis T.↗
DOE OSTI2018

Anticorrosive Behavior and Porosity of Tricationic Phosphate and Zirconium Conversion Coating on Galvanized Steel

This work evaluates the corrosion resistance of galvanized steel treated with tricationic phosphate and zirconium conversion coating after painting, by using electrochemical techniques, accelerated and field corrosion tests. A non-uniform and heterogeneous distribution of zirconium on the steel surface was observed due to preferential nucleation of the zirconium on the aluminum-rich sites on the surface of galvanized steel. The long-term anti-corrosion performance in a saline solution was better for the phosphate coating up to 120 days. The coating capacitance registered a higher increase for the zirconium coatings than the phosphate coatings up to 120 days of immersion. This result agrees with the higher porosity of zirconium coating in relation to the phosphate coating. After 3840 h of accelerated corrosion test, and after 1 year of accelerated field test, zirconium-treated samples showed an average scribe delamination length higher than the phosphate-treated samples.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Photoelectrochemical materials for solar energy conversion

Research and development on semiconductors for applications in solar energy conversion has witnessed rapid growth over the past several decades. With the aim of producing chemical fuels from sunlight, intense research efforts have focused on the discovery of semiconductors with crystalline structures and chemical compositions that have the potential to satisfy the complex set of required photoelectrochemical properties. This chapter focuses on the foundational structure-property relationships of selected oxide and nitride semiconductors relevant to their uses as n-/p-type photoelectrodes and as photocatalysts. Their solid-state structures and compositions are described, with a special emphasis on strategies proven effective at targeting suitable band gaps with strong visible-light absorption, efficient charge separation and diffusion of charge carriers, and optimal band edge energies for driving surface redox reactions for water splitting.

O’Donnell, Shaun↗
DOE OSTI2021

Sequential oxidation-depolymerization strategies for lignin conversion to low molecular weight aromatic chemicals

Lignin is the largest source of bio-derived aromatic chemicals, and oxidative conversion of this polymeric material can generate valuable oxygenated aromatic compounds. Oxidative depolymerization of lignosulfonate feedstocks under alkaline conditions is used commercially for vanillin production. Recent studies have led to other oxidation methods that access different aromatic products from lignin in good yields. A particularly effective strategy that accesses some of the highest yields of aromatic monomers to date features a two-step process in which the oxidation of specific alcohol groups in lignin is followed by an oxidative, reductive, or redoxneutral step that cleaves the polymer into aromatic monomers and oligomers. Studies of model compounds have provided crucial mechanistic insights and contributed to the development of effective lignin depolymerization methods. Furthermore, this review provides a general overview of lignin depolymerization methods, followed by a survey of oxidation-depolymerization methods that access oxygenated aromatic monomers in good yields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗