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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Photochemical Upconversion in Water Using Cu(I) MLCT Excited States: Role of Energy Shuttling at the Micellar/Water Interface

Photochemical upconversion (UC) through triplet–triplet annihilation (TTA), which employs a visible absorbing triplet photosensitizer and an annihilator, is a process that generates a high energy photon from two lower energy photons. TTA-UC has been largely developed in pure organic solvents and solid-state polymeric constructs while featuring near exclusive use of rare and expensive metals within the photosensitizer. In this current investigation, we demonstrate that TTA-UC from the long lifetime earth-abundant photosensitizer [Cu(dsbtmp) 2 ](PF) 6 (dsbtmp = 2,9-di(sec-butyl)-3,4,7,8-tetramethyl-1,10-phenanthroline), abbreviated as Cu-PS, functions in water through encapsulation within a cationic-based assembly. Cetyltrimethylammonium bromide was the surfactant of choice as it electrostatically binds the negatively charged water-soluble 10-phenylanthracene-9-carboxylate (PAC) acceptor/annihilator and ultimately facilitates energy transfer across the interface. Efficient triplet–triplet energy transfer (TTET) from Cu-PS to the PAC acceptor was achieved in this aqueous assembly. Unfortunately, the hindered mobility of the PAC moieties ultimately hampered the annihilation process, and this was reflected in attenuated TTA rates and efficiencies. The combined experimental data illustrated that the water-soluble PAC acceptor was able to vectorially deliver the excited-state energy stored in Cu-PS across the interface into the bulk aqueous solution by engaging in excited-state electron transfer with methyl viologen acceptors. Lastly, these results are important for remotely operating photoredox reactions in water while rendering a photosensitizer spatially isolated in the hydrophobic core of a micelle.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Topological properties of SnSe/EuS and SnTe/CaTe interfaces

Herein, we use density functional theory calculations to study the electronic structure of epitaxial (111) interfaces of the topological crystalline insulators SnSe and SnTe with the magnetic insulator EuS and the non-magnetic insulator CaTe, respectively. We further consider both interface slab models with a vacuum region and periodic heterostructures without vacuum. We find that gaps of 21 meV at the Γ point and 9 meV at the M point arise in the topological state at the SnSe/EuS interface, due to the magnetic proximity effect, which breaks the time reversal symmetry. The surface state at Γ is shifted below the Fermi level by 88 meV and the surface state at M is shifted above the Fermi level by 47 meV, owing to band bending at the interface. By comparison, the topological state at the interface of SnTe/CaTe is unperturbed by the presence of non-magnetic CaTe.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Human Machine Interface and Controls Development for a Medium Voltage Solid State Transformer

The demand for a more capable electric power grid has increased due to greater energy generation and consumption. • Controlling energy flow bidirectionally with new technologies such as solid state transformers can meet this demand, improving power quality, efficiency, and grid security. • A human machine interface was created to control a medium voltage solid state transformer.

Rafferty, Ezekiel↗
DOE OSTI2023

All‐Liquid Reconfigurable Electronics Using Jammed MXene Interfaces

Abstract Rigid, solid‐state components represent the current paradigm for electronic systems, but they lack post‐production reconfigurability and pose ever‐increasing challenges to efficient end‐of‐life recycling. Liquid electronics may overcome these limitations by offering flexible in‐the‐field redesign and separation at end‐of‐life via simple liquid phase chemistries. Up to now, preliminary work on liquid electronics has focused on liquid metal components, but these devices still require an encapsulating polymer and typically use alloys of rare elements like indium. Here, using the self‐assembly of jammed 2D titanium carbide (Ti 3 C 2 T x ) MXene nanoparticles at liquid–liquid interfaces, “all‐liquid” electrically conductive sheets, wires, and simple functional devices are described including electromechanical switches and photodetectors. These assemblies combine the high conductivity of MXene nanosheets with the controllable form and reconfigurability of structured liquids. Such configurations can have applications not only in electronics, but also in catalysis and microfluidics, especially in systems where the product and substrate have affinity for solvents of differing polarity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Extended spin relaxation times of optically addressed vanadium defects in silicon carbide at telecommunication frequencies

Optically interfaced solid-state defects are promising candidates for quantum communication technologies. The ideal defect system would feature bright telecom emission, long-lived spin states, and a scalable material platform, simultaneously. Here, in this study, we use one such system, vanadium (V 4+ ) in silicon carbide, to establish a potential telecom spin-photon interface within a mature semiconductor host. This demonstration of efficient optical spin polarization and readout facilitates all-optical measurements of temperature-dependent spin relaxation times (T 1 ). By using this technique, and lowering the temperature from approximately 2 K to approximately 100 mK, we observe a remarkable 4-orders-of-magnitude increase in spin T 1 across all measured sites, with site-specific values ranging from 57.1 ms to 27.9 s. Furthermore, we identify the underlying relaxation mechanisms, which involve a two-phonon Orbach process, indicating the opportunity for strain tuning to enable qubit operation at higher temperatures. These results position V 4+ in SiC as a prime candidate for scalable quantum nodes in future quantum networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Dynamics of quantum Hall interfaces

A quantum Hall (QH) interface is different from an ordinary QH edge, as the latter has its location determined by the confining potential, while the former can be unpinned and behave like a free string. In this paper, we demonstrate this difference by studying three different interfaces formed by (i) the Laughlin state and the vacuum, (ii) the Pfaffian state and the vacuum, and (iii) the Pfaffian and the anti-Pfaffian states. We find that stringlike interfaces propagating freely in the QH system lead to very different dynamical properties from edges. This qualitative difference gives rise to fascinating physics and suggests a different direction for future research on QH physics. We also discuss briefly possible analogies between QH interfaces and concepts in string theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2001

Decohesion Elements using Two and Three-Parameter Mixed-Mode Criteria

An eight-node decohesion element implementing different criteria to predict delamination growth under mixed-mode loading is proposed. The element is used at the interface between solid finite elements to model the initiation and propagation of delamination. A single displacement-based damage parameter is used in a softening law to track the damage state of the interface. The power law criterion and a three-parameter mixed-mode criterion are used to predict delamination growth. The accuracy of the predictions is evaluated in single mode delamination and in the mixed-mode bending tests.

Davila, Carlos G.↗
NASA NTRS1980

Chemical depth profiles of the GaAs/native oxide interface

The final-state oxidation products and their distribution in thin native oxides (30-40 A) on GaAs have been studied using X-ray photoelectron spectroscopy in conjunction with chemical depth profiling. Extended room-temperature-oxidation conditions have been chosen to allow the native oxide to attain its equilibrium composition and structure. The work emphasizes the use of chemical depth-profiling methods which make it possible to examine the variation in chemical reactivity of the oxide structure. A minimum of two distinct regions of Ga2O3 with differing chemical reactivity is observed. Chemical shift data indicate the presence of As2O3 in the oxide together with an elemental As overlayer at the interface. A change in relative charge transfer between oxygen and both arsenic and gallium-oxide species is observed in the region of the interface.

Grunthaner, P. J.↗
DOE OSTI2019

Distinct driven steady states emerge from diverse initial textures in rolled nanocomposites

Severe plastic deformation is a known method of making high-performance metallic materials. Single-phase polycrystalline metals undergoing severe plastic deformation develop steady-state textures that are characteristic of the mode of deformation. By contrast, we show that two-phase, Cu-Nb nano-laminate composites reach a variety of different steady-state textures under a single mode of deformation. Using molecular statics simulations and a novel algorithm for crystal rotation analysis, we observe that the final, steady state texture and interface character in these materials depends on the initial texture of the composite. This result suggests that the range of bulk Cu-Nb nano-composite textures that may be made by severe plastic deformation is larger than previously demonstrated, with multiple plastically-driven steady states accessible, depending on initial texture. We propose a modification of accumulative roll bonding with highly textured seed layers as a means of accessing different driven steady states in layered composites.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Mixed-Mode Decohesion Elements for Analyses of Progressive Delamination

A new 8-node decohesion element with mixed mode capability is proposed and demonstrated. The element is used at the interface between solid finite elements to model the initiation and propagation of delamination. A single displacement-based damage parameter is used in a strain softening law to track the damage state of the interface. The method can be used in conjunction with conventional material degradation procedures to account for inplane and intra-laminar damage modes. The accuracy of the predictions is evaluated in single mode delamination tests, in the mixed-mode bending test, and in a structural configuration consisting of the debonding of a stiffener flange from its skin.

Davila, Carlos G.↗
DOE OSTI2018

Mid Atlantic CHP Technical Assistance Partnership (Final Technical Report)

The Mid Atlantic CHP Technical Assistance Partnership (MACHPTAP), managed by The Pennsylvania State University College of Engineering, served the six states in the Mid-Atlantic region (Pennsylvania, New Jersey, Delaware, Maryland, Virginia and West Virginia) plus the District of Columbia. The objective of the Combined Heat and Power Technical Assistance Partnerships (CHP TAPs) was to provide essential support to continue the market development of CHP’s suite of technologies to further the installation of highly efficient and cost effective CHP. The MACHPTAP’s work included education and outreach as well as technical assistance to a variety of stakeholders including end-users (commercial, industrial, institutional and more), state decision makers, electric and gas utilities, trade associations and non-profit organizations. This assistance included evaluating the economic, energy, reliability and environmental value of proposed systems. The CHP TAPs represented multi-state regions and are the CHP experts in the region who provide fact-based, un-biased information on CHP, including technologies, project development, project financing, local electric and natural gas utility interfaces, and related State best practice policies. Specifically, the MACHPTAP objectives were accomplished through taskings in four specific areas: Technical Assistance to end Users which involved engaging potential end-users to identify, evaluate, and technically support prospective CHP projects; Engagement and Education of End Users where the MACHPTAP engaged and educated end users about CHP, its benefits, and DOE resources available, and strategically hosted or participated in webinars, workshops and conferences; Policymaker Education where the MACHPTAP hosted or participated in webinars, one-on-one meetings, workshops, and other forums; and Program Administration, Management and Reporting, which included monthly and quarterly reporting, program meetings and coordination of activities with other regional TAPs. Accomplishments in the four specific project areas included providing direct Technical Assistance to 289 prospective CHP end users, conducting or participating in 82 End User Education events and hosting or participating in 73 Policy Maker Education events. During the contract period, 107 CHP installations were commissioned in the Mid Atlantic region, with a total generation capacity of over 160 megawatts, with an additional 34 sites with a capacity of over 100 megawatts currently in the planning/design/construction phase. Programmatically, all monthly metrics reports and quarterly reports were submitted in a timely manner.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Hydrogen Annealing Effect on the Magnetic Properties of ZnCoO/MoS{sub 2} Hybrid

The ZnCoO/MoS{sub 2} hybrid is successfully synthesized through a general and facile process. High-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and Raman spectra reveal that the hybrid consists of wurtzite ZnCoO and few layers of MoS{sub 2}, which shows a paramagnetic property. In contrast, the hybrid presents clear magnetic hysteresis at room temperature with a H{sub 2} post-annealing process. No Co metal nanoclusters can be identified by XRD and HRTEM. The red shift of E{sub 2g}{sup 1} and A{sub 1g} peak indicates the strain effect induced by H{sub 2} annealing. On the other hand, the disappeared peak at 477 cm{sup −1} can be ascribed to the modification of the interface and surface state of the ZnCoO. Temperature-dependent Raman spectroscopies demonstrate the significant H{sub 2} annealing effect on the structural properties of ZnCoO/MoS{sub 2} hybrid. The interplay between the electron interaction at the interface and oxygen vacancies of ZnCoO can be responsible for the magnetic properties of the ZnCoO/MoS{sub 2} hybrid. The tunable magnetic properties have a promising application in multifunctional MoS{sub 2}-based semiconductor and spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Atomically thin interlayer phase from first principles enables defect-free incommensurate SnO2/CdTe interface

Advancing optoelectronic and emerging technologies increasingly requires control and design of interfaces between dissimilar materials. However, incommensurate interfaces are notoriously defective and rarely benefit from first-principles predictions, because no explicit atomic-structure models exist. Here, we adopt a bulk crystal structure prediction method to the interface geometry and apply it to SnO2/CdTe heterojunctions without and with the addition of CdCl2, a ubiquitous and beneficial, but abstruse processing step in CdTe photovoltaics. Whereas the direct SnO2/CdTe interface is highly defective, we discover a unique two-dimensional CdCl2 interphase, unrelated to the respective bulk structure. It facilitates a seamless transition from the rutile to zincblende lattices and removes defect-states from the interface bandgap. Implementing the predicted interface electronic structure in device simulations, we demonstrate the theoretical feasibility of bufferless oxide-CdTe heterojunction solar cells approaching the Shockley–Queisser limit. Our results highlight the broader potential of designing atomically thin interlayers to enable defect-free incommensurate interfaces.

14 SOLAR ENERGY↗
DOE OSTI2024

Developing a Robust Market for CHP: A Plan for Fostering Economic Development, Business Competitiveness and Resiliency in the Mid-Atlantic Region

The Department of Energy’s Mid Atlantic Combined Heat and Power Technical Assistance Partnership (MA CHP TAP) was established to develop public-private partnerships to advance the technology, policies, and programmatic support for combined heat and power (CHP), including its application in microgrids, heat to power and district energy. The MA CHP TAP’s work includes education and outreach as well as technical assistance to a variety of stakeholders including end-users (commercial, industrial, institutional and more), state decision makers, electric and gas utilities, trade associations and non-profit organizations. This assistance includes evaluating the economic, energy, reliability and environmental value of proposed systems. The MA CHP TAP represents the multi-state Mid- Atlantic region and is the CHP expert in the region who provides fact-based, un-biased information on CHP, including technologies, project development, project financing, local electric and natural gas utility interfaces, and related state best practice policies.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)

Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, and understanding the biogeochemical factors controlling these exchanges, particularly iron (Fe) redox transformations, is crucial for predicting coastal ecosystem functions. Here, we investigated the mechanisms controlling Fe speciation changes across upland-to-shoreline gradients in freshwater and estuarine soils using Fe K-edge X-ray absorption spectroscopy, solid and porewater composition analysis, and 16S rRNA sequencing analysis. We show that Fe transformations depend primarily on inundation patterns. In unsaturated uplands, Fe occurs as Fe(III) oxyhydroxides, mainly goethite (9–35 %), Fe(II,III)-phyllosilicates (39–89 %), and Fe(III)-organic species (0–61 %). Soils influenced by estuarine waters exhibit porewater sulfide concentrations reaching up to 221 μM, Fe- and S-cycling bacteria, and up to 81 % pyrite (FeS 2 ), indicating that sulfur-driven redox dynamics control Fe transformations. In lacustrine wetlands, Fe(III) reduction is indicated by porewater Fe(II) concentrations increasing to 1.0–2.1 mM, and ~10–15 % of Fe as Fe(II,III)-(hydr)oxides (green rust), vivianite (Fe 3 (PO 4 ) 2 ·8H 2 O), and/or adsorbed Fe(II) species. EXAFS data also indicate reduction of structural Fe(III) to Fe(II) in phyllosilicates. The presence of Fe- and S-cycling bacteria, as well as sulfide (0–10 μM), suggests that Fe-cycling is microbially driven and potentially coupled with cryptic S-cycling. Fe(II) oxidation was indicated above/near the water table by the presence of Fe(III) oxyhydroxides (ferrihydrite, lepidocrocite). Furthermore, negligible Fe(III) or sulfate reduction was observed at some water-saturated sites located at the upland-wetland transition, likely due to oxic (sub-)surface water inputs. Overall, our results highlight the importance of considering both Fe-speciation and hydro-biogeochemical dynamics when predicting Fe-cycling at coastal interfaces.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1995

How far away is plug 'n' play? Assessing the near-term potential of sonification and auditory display

The commercial music industry offers a broad range of plug 'n' play hardware and software scaled to music professionals and scaled to a broad consumer market. The principles of sound synthesis utilized in these products are relevant to application in virtual environments (VE). However, the closed architectures used in commercial music synthesizers are prohibitive to low-level control during real-time rendering, and the algorithms and sounds themselves are not standardized from product to product. To bring sound into VE requires a new generation of open architectures designed for human-controlled performance from interfaces embedded in immersive environments. This presentation addresses the state of the sonic arts in scientific computing and VE, analyzes research challenges facing sound computation, and offers suggestions regarding tools we might expect to become available during the next few years. A list of classes of audio functionality in VE includes sonification -- the use of sound to represent data from numerical models; 3D auditory display (spatialization and localization, also called externalization); navigation cues for positional orientation and for finding items or regions inside large spaces; voice recognition for controlling the computer; external communications between users in different spaces; and feedback to the user concerning his own actions or the state of the application interface. To effectively convey this considerable variety of signals, we apply principles of acoustic design to ensure the messages are neither confusing nor competing. We approach the design of auditory experience through a comprehensive structure for messages, and message interplay we refer to as an Automated Sound Environment. Our research addresses real-time sound synthesis, real-time signal processing and localization, interactive control of high-dimensional systems, and synchronization of sound and graphics.

Bargar, Robin↗