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At least 145 records · Page 8

Confinement Effects on Proton Transfer in TiO 2 Nanopores from Machine Learning Potential Molecular Dynamics Simulations

Improved understanding of proton transfer in nanopores is critical for a wide range of emerging applications, yet experimentally probing mechanisms and energetics of this process remains a significant challenge. To help reveal details of this process, we developed and applied a machine learning potential derived from first-principles calculations to examine water reactivity and proton transfer in TiO 2 slit-pores. Here, we find that confinement of water within pores smaller than 0.5 nm imposes strong and complex effects on water reactivity and proton transfer. Although the proton transfer mechanism is similar to that at a TiO 2 interface with bulk water, confinement reduces the activation energy of this process, leading to more frequent proton transfer events. This enhanced proton transfer stems from the contraction of oxygen–oxygen distances dictated by the interplay between confinement and hydrophilic interactions. Our simulations also highlight the importance of the surface topology, where faster proton transport is found in the direction where a unique arrangement of surface oxygens enables the formation of an ordered water chain. In a broader context, our study demonstrates that proton transfer in hydrophilic nanopores can be enhanced by controlling pore size, surface chemistry, and topology.

36 MATERIALS SCIENCE

Interfacial Charge Transfer in Lead Sulfide/Cadmium Sulfide Quantum Dot–Monolayer Molybdenum Disulfide Heterostructures

We investigate the ultrafast interfacial charge transfer dynamics in mixed-dimensional PbS/CdS quantum dot (QD)–monolayer MoS 2 heterostructures exhibiting a type-II band alignment. These 0D–2D heterostructures were assembled using oleic acid-capped PbS/CdS QDs with systematically varied core sizes deposited onto molecular beam epitaxy-grown monolayer MoS 2 . Steady-state and time-resolved optical spectroscopies revealed pronounced bidirectional charge transfer between the 0D and 2D components, involving both electron and hole exchange across the interface. The quenching of the monolayer MoS 2 A-exciton bleach and the modifications of its decay dynamics provide direct evidence for efficient hole transfer from photoexcited MoS 2 into the PbS QD core. Concurrently, attenuation of the QD ground-state bleach and the emergence of ultrafast decay components confirmed electron transfer from photoexcited QDs to monolayer MoS 2 . Both hole and electron transfer processes are dependent on the QD core size, with smaller cores enabling faster transfer rates and higher efficiencies due to enhanced band offsets and interfacial coupling. The complementary insights gained from transient absorption and time-resolved photoluminescence measurements clarify the mechanisms governing interfacial carrier exchange and highlight the importance of both hole and electron transfer as key components in the functioning of such 0D–2D heterostructures. This study underscores the potential of 0D–2D semiconductor heterostructures for advanced optoelectronic and light-energy conversion applications.

36 MATERIALS SCIENCE

Charge transfer in transition metal dichalcogenide alloy heterostructures

Two-dimensional (2D) transition metal dichalcogenides and their alloys provide a unique platform for exploring interlayer charge transfer in van der Waals heterostructures. These structures are crucial for advancing the next-generation electronic, optoelectronic, and quantum devices. In this study, interlayer charge transfer in heterostructures composed of MoSe 2 , MoS 2 , and their alloy, MoSSe, is investigated using transient absorption, Raman, and photoluminescence spectroscopy. The experimental results reveal that electron transfer in the alloy heterostructures, MoSSe/MoS 2 and MoSe 2 /MoSSe, is faster than in the pure MoSe 2 /MoS 2 heterostructure, despite the smaller conduction band offsets of the alloy systems. Raman spectroscopy confirms that alloy layers support phonon modes matching those of the pure layers, aligning with theoretical models of phonon-assisted interlayer charge transfer. Additionally, efficient hole transfer is observed in both alloy heterostructures. The findings suggest transition metal dichalcogenides alloys can be used for engineering heterostructures with desired charge transfer properties. By leveraging compositionally tunable band gaps and optical properties, alloy-based heterostructures offer opportunities for designing tailored materials suitable for diverse applications such as photodetectors, light-emitting devices, and flexible electronics. Furthermore, the ultrafast charge transfer observed in these systems provides insights into the fundamental mechanisms governing interlayer interactions in 2D materials.

2D material

Spatially resolved charge-transfer kinetics at the quantum dot–microbe interface using fluorescence lifetime imaging microscopy

Integrating the optoelectronic properties of quantum dots (QDs) with biological enzymatic systems to form microbe-semiconductor biohybrids offers promising prospects for both solar-to-chemical conversion and light-modulated biochemical processes. Developing these nano–bio hybrid systems necessitates a deep understanding of charge-transfer dynamics at the nano–bio interface. Photoexcited carrier transfer from QDs to microbes is driven by complex interactions, with emerging insights into the relevant thermodynamic and kinetic factors. The heterogeneities of both microbes and QD ensembles pose significant challenges in mechanistic understanding, which is critical for designing advanced nano–bio hybrids. We used fluorescence lifetime imaging microscopy to analyze charge transfer between a CdSe QD film andShewanella oneidensismicrobes. We correlated the spatiotemporal fluorescence data with an analytical model. Our analysis revealed two distinct distributions of QD de-excitation pathways. The characteristics of these distributions: 1) a faster transfer rate ( k ¯ E T 1 = 1.5 10 9 s - 1 ), with a lower acceptor number ( N ¯ a 1 = 0.03 ) and 2) a slower transfer rate ( k ¯ E T 2 = 4.1 10 8 s - 1 ) with a higher acceptor number ( N ¯ a 2 = 0.18 ). We assign these distributions to the indirect and direct electron transfer mechanisms, respectively. Our findings demonstrate how spectroscopic imaging can uncover fundamental electron transfer mechanisms at complex interfaces, offering valuable design principles for future nano–bio hybrids.

Science & Technology - Other Topics

Effect of a surface-to-gap temperature discontinuity on the heat transfer to reusable surface insulation tile gaps

An experimental investigation is presented that was performed to determine the effect of a surface-to-gap wall temperature discontinuity on the heat transfer within space shuttle, reusable surface insulation, tile gaps submerged in a thick turbulent boundary layer. Heat-transfer measurements were obtained on a flat-plate, single-gap model submerged in a turbulent tunnel wall boundary layer at a nominal free-stream Mach number of 10.3 and free-stream Reynolds numbers per meter of 1.5 million, 3.3 million and 7.8 million. Surface-to-gap wall temperature discontinuities of varying degree were created by heating the surface of the model upstream of the instrumented gap. The sweep angle of the gap was varied between 0 deg and 60 deg; gap width and depth were held constant. A surface-to-gap wall temperature discontinuity (surface temperature greater than gap wall temperature) results in increased heat transfer to the near-surface portion of the gap, as compared with the heat transfer under isothermal conditions, while decreasing the heat transfer to the deeper portions of the gap. The nondimensionalized heat transfer to the near-surface portion of the gap is shown to decrease with increasing Reynolds number; in the deeper portion of the gap, the heat transfer increases with Reynolds number.

Throckmorton, D. A.

Transfer of training on manual control systems differing in short period frequency and damping characteristics

Each of four groups of 16 subjects was trained on one of four compensatory tracking tasks that differed with regard to short period natural frequency and damping characteristics. After completion of the training sessions, the members of each group either transferred to a task on which they had not been trained or continued with their original task. Analysis of the training data indicated that relative task difficulty was largely determined by system damping which, however, had little effect on the amount of transfer during the transfer trials. The effect of system frequency was essentially reversed, and a marked interaction between training and transfer frequencies was observed in the transfer data. Similar results were obtained both with relative error scores and transinformation scores. Positive transfer was exhibited by most of the groups when they transferred to tasks on which they had not been trained.

Lincoln, R. S.

Improving NASA's technology transfer process through increased screening and evaluation in the information dissemination program

The current status of NASA's technology transfer system can be improved if the technology transfer process is better understood. This understanding will only be gained if a detailed knowledge about factors generally influencing technology transfer is developed, and particularly those factors affecting technology transfer from government R and D agencies to industry. Secondary utilization of aerospace technology is made more difficult because it depends on a transfer process which crosses established organizational lines of authority and which is outside well understood patterns of technical applications. In the absence of a sound theory about technology transfer and because of the limited capability of government agencies to explore industry's needs, a team approach to screening and evaluation of NASA generated technologies is proposed which calls for NASA, and other organizations of the private and public sectors which influence the transfer of NASA generated technology, to participate in a screening and evaluation process to determine the commercial feasibility of a wide range of technical applications.

Laepple, H.

Measurement of thermoacoustic convection heat transfer phenomenon

In this paper the results of an experimental investigation of thermoacoustic convection (TAC) heat transfer phenomenon in both zero-gravity and gravity environment are presented and compared with pure conduction heat transfer. The numerical solutions of the governing equations obtained by others for TAC heat transfer phenomenon are also discussed. The experimental results show that for rapid heating rate at a boundary, the contribution of TAC heat transfer to a gas could be significantly (one order of magnitude) higher than heat transfer rate from pure conduction. The results also show significantly reduced transient time in heat transfer processes involving thermoacoustic convective heat transfer mode in both space and gravity environment.

Parang, M.

Measurement of local connective heat transfer coefficients of four ice accretion shapes

In the analytical study of ice accretions that form on aerodynamic surfaces (airfoils, engine inlets, etc.) it is often necessary to be able to calculate convective heat transfer rates. In order to do this, local convective heat transfer coefficients for the ice accretion shapes must be known. In the past, coefficients obtained for circular cylinders were used as an approximation to the actual coefficients since no better information existed. The purpose of this experimental study was to provide local convective heat transfer coefficients for four shapes that represent ice accretions. The shapes were tested with smooth and rough surfaces. The experimental method chosen was the thin-skin heat rate technique. Using this method local Nusselt numbers were determined for the ice shapes. In general it was found that the convective heat transfer was higher in regions where the model's surfaces were convex and lower in regions where the model's surfaces were concave. The effect of roughness was to increase the heat transfer in the high heat transfer regions by approximately 100% while little change was apparent in the low heat transfer regions.

Smith, M. E.

Unsteady heat transfer and direct comparison to steady-state measurements in a rotor-wake experiment

Circumferentially local and time-resolved heat transfer measurements were obtained for a circular cylinder in crossflow located downstream of a rotating spoked wheel wake generator in a steady flow tunnel. The unsteady heat transfer effects were obtained by developing an extension of a thin film gauge technique employed to date exclusively in short-duration facilities. The time-average thin film results and conventional steady-state heat transfer measurements were compared. Time-averaged wake-induced stagnation heat transfer enhancement levels above the nowake case were about 10% for the four cylinder Reynolds numbers. This enhancement level was nearly independent of bar passing frequency and was related directly to the time integral of the heat transfer spikes observed at the bar passing frequency. It is observed that the wake-induced heat transfer spikes have peak magnitudes averaging 30 to 40% above the interwake heat transfer level.

Obrien, J. E.

Unsteady heat transfer and direct comparison to steady-state measurements in a rotor-wake experiment

Circumferentially local and time-resolved heat transfer measurements were obtained for a circular cylinder in crossflow located downstream of a rotating spoked wheel wake generator in a steady flow tunnel. The unsteady heat transfer effects were obtained by developing an extension of a thin film gauge technique employed to date exclusively in short-duration facilities. The time-average thin film results and conventional steady-state heat transfer measurements were compared. Time-averaged wake-induced stagnation heat transfer enhancement levels above the nowake case were about 10 percent for the four cylinder Reynolds numbers. This enhancement level was nearly independent of bar passing frequency and was related directly to the time integral of the heat transfer spikes observed at the bar passing frequency. It is observed that the wake-induced heat transfer spikes have peak magnitudes averaging 30 to 40 percent above the interwake heat transfer level.

Obrien, J. E.

Experiments on thermoacoustic convection heat transfer in gravity and zero-gravity environments

The results of an experimental study of thermoacoustic convection (TAC) heat transfer in gravity and zero-gravity environments are presented. The experimental apparatus consisted of a cylinder containing air as the compressible fluid. The enclosed air was heated electrically at the top surface which consisted of a thin high-resistance steel foil connected to a power source. Thermocouples were used to measure the transient temperature of the air on the axis of the cylinder and the heated surface in the both zero-gravity and gravity environments. The zero-gravity tests were performed in the Zero-Gravity Drop Tower Facility of NASA-Lewis Research Center. The experimental results were corrected for the error due to radiation absorption by the thermocouples. A conduction-only numerical heat transfer model was developed to compute the transient air temperature in the cylindrical geometry. The results were compared to the experimental data to determine the significance of the thermoacoustic convection heat transfer mechanism. It is observed that the rate of heat transfer to the air measured during the experiments is consistently higher than that obtained by the conduction-only solution indicating a significant presence of the TAC heat transfer. Further experiments are planned to measure directly (1) the radiative heat transfer contribution to the rise in the air temperature, and (2) the air pressure oscillations within the cylinder that are responsible for the convective heat transfer mode.

Parang, Masood

Optimization of aeroassisted orbital transfer - Current status

This paper presents the theory of optimal aeroassisted orbital transfer, with special consideration given to the transfer about a central body with an atmosphere, with propulsive maneuvers in space modeled as instantaneous changes in the velocity vector. It is shown that there are four potentially optimal transfer modes, two aeroassisted and two all-propulsive, for each point in the two-dimensional transfer space. Aeroassisted orbital transfer introduces a strong coupling between the trajectory design and the vehicle design; a trajectory that minimizes fuel mass without attention to heating may require the vehicle to have a heavy thermal protection system. It is emphasized that, if aeroassisted transfer is to be preferred to all-propulsive transfer, it must offer a reduction in fuel mass greater than the increase in thermal protection mass.

Mease, K. D.

Heat transfer in rotating serpentine passages with trips normal to the flow

Experiments were conducted to determine the effects of buoyancy and Coriolis forces on heat transfer in turbine blade internal coolant passages. The experiments were conducted with a large scale, multipass, heat transfer model with both radially inward and outward flow. Trip strips on the leading and trailing surfaces of the radial coolant passages were used to produce the rough walls. An analysis of the governing flow equations showed that four parameters influence the heat transfer in rotating passages: coolant-to-wall temperature ratio, Rossby number, Reynolds number, and radius-to-passage hydraulic diameter ratio. The first three of these four parameters were varied over ranges which are typical of advanced gas turbine engine operating conditions. Results were correlated and compared to previous results from stationary and rotating similar models with trip strips. The heat transfer coefficients on surfaces, where the heat increased with rotation and buoyancy, varied by as much as a factor of four. Maximum values of the heat transfer coefficients with high rotation were only slightly above the highest levels obtained with the smooth wall model. The heat transfer coefficients on surfaces, where the heat transfer decreased with rotation, varied by as much as a factor of three due to rotation and buoyancy. It was concluded that both Coriolis and buoyancy effects must be considered in turbine blade cooling designs with trip strips and that the effects of rotation were markedly different depending upon the flow direction.

Wagner, J. H.

A proposed time transfer experiment between the USA and the South Pacific

This paper describes the concept, architecture and preliminary details of an experiment directc<l towards providing continuous Ultra High Precision (UHP) time transfer between Washington, DC; Salisbury, SA Australia; Orroral Valley, ACT Australia; arid Lower Hutt, New Zealand. It further describes a proposed method of distributing UTC(USNO) at a high level of precision to passive users over a broad area of the South Pacific. The concept is based on active two-way satellite time transfer from the United States Naval Observatory (USNO) to the proposed USNO Master Clock West (MCW) in Wahiwa, HI USA at the 1 nanosecond level using active satellite two-way time transfer augmented by Precise Positioning Service (PPS) of the Global Positioning System (GPS). MCW would act as an intermediate transfer/reference station, again linked to Salisbury at the 1 nanosecond level using active satellite two-way time transfer augmented by PPS GPS. From this point, time would bc distributed within the region by two methods. The first is an existing TV line sync system using an Australian communications satellite (AUSSAT K1) which is useful to the 20 nanosecond level. The second approach is RF ranging and multilateration between Salisbury, Orroral Observatory, Lower Hutt and the AUSSAT B1 and B2 to be launched in 1992. Orroral Observatory will provide precise laser ranging to the AUSSAT B1/B2 retro reflectors which will reduce ephemeris related time transfer errors to below 1 nanosecond. The corrected position will be transmitted by both the time transfer modem and the existing TV line sync dissemination process. Multilateration has the advantage of being an all weather approach and when used with the laser ranging technique will provide a precise measurement of the propagation path delays. This will result in time transfer performance levels on the order of 10 nanoseconds to passive users in both Australia and New Zealand.

John Luck

Heat transfer in rotating serpentine passages with trips normal to the flow

Experiments were conducted to determine the effects of buoyancy and Coriolis forces on heat transfer in turbine blade internal coolant passages. The experiments were conducted with a large scale, multipass, heat transfer model with both radially inward and outward flow. Trip strips on the leading and trailing surfaces of the radial coolant passages were used to produce the rough walls. An analysis of the governing flow equations showed that four parameters influence the heat transfer in rotating passages: coolant-to-wall temperature ratio, Rossby number, Reynolds number, and radius-to-passage hydraulic diameter ratio. The first three of these four parameters were varied over ranges which are typical of advanced gas turbine engine operating conditions. Results were correlated and compared to previous results from stationary and rotating similar models with trip strips. The heat transfer coefficients on surfaces, where the heat increased with rotation and buoyancy, varied by as much as a factor of four. Maximum values of the heat transfer coefficients with high rotation were only slightly above the highest levels obtained with the smooth wall model. The heat transfer coefficients on surfaces, where the heat transfer decreased with rotation, varied by as much as a factor of three due to rotation and buoyancy. It was concluded that both Coriolis and buoyancy effects must be considered in turbine blade cooling designs with trip strips and that the effects of rotation were markedly different depending upon the flow direction.

Wagner, J. H.

Stagnation Region Heat Transfer: The Influence of Turbulence Parameters, Reynolds Number and Body Shape

The effect of velocity gradient on stagnation region heat transfer augmentation by free stream turbulence was investigated. Heat transfer was measured in the stagnation region of four models with elliptical leading edges with ratios of major to minor axes of 1:1, 1.5:1, 2.25:1, and 3:1. Four geometrically similar, square bar, square mesh, biplane grids were used to generate free stream turbulence with different intensities and length. Heat transfer measurements were made for the following ranges of parameters: Reynolds number, based on leading edge diameter, 37,000 to 228,000; dimensionless leading edge velocity gradient, 1.20 to 1.80; turbulence intensity, 1.1 to 15.9%; and length scale to leading edge diameter ratio, 0.05 to 0.30. Stagnation point heat transfer augmentation by free stream turbulence can be predicted using a modified version of a previously developed correlation for a circular leading edge. Heat transfer augmentation was independent of body shape at the stagnation point. The heat transfer distribution down-stream from the stagnation point can be predicted using the normalized laminar heat transfer distribution.

Vanfossen, G. James

Technology Transfer: Marketing Tomorrow's Technology

The globalization of the economy and the end of the Cold War have triggered many changes in the traditional practices of U.S. industry. To effectively apply the resources available to the United States, the federal government has firmly advocated a policy of technology transfer between private industry and government labs, in this case the National Aeronautics and Space Administration (NASA). NASA Administrator Daniel Goldin is a strong proponent of this policy and has organized technology transfer or commercialization programs at each of the NASA field centers. Here at Langley Research Center, the Technology Applications Group (TAG) is responsible for facilitating the transfer of Langley developed research and technology to U.S. industry. Entering the program, I had many objectives for my summer research with TAG. Certainly, I wanted to gain a more thorough understanding of the concept of technology transfer and Langley's implementation of a system to promote it to both the Langley community and the community at large. Also, I hoped to become more familiar with Langley's research capabilities and technology inventory available to the public. More specifically, I wanted to learn about the technology transfer process at Langley. Because my mentor is a member of Materials and Manufacturing marketing sector of the Technology Transfer Team, another overriding objective for my research was to take advantage of his work and experience in materials research to learn about the Advanced Materials Research agency wide and help market these developments to private industry. Through the various projects I have been assigned to work on in TAG, I have successfully satisfied the majority of these objectives. Work on the Problem Statement Process for TAG as well as the development of the Advanced Materials Research Brochure have provided me with the opportunity to learn about the technology transfer process from the outside looking in and the inside looking out. Because TAG covers all of the research efforts conducted at Langley, my studies with TAG were ab!e to provide me an excellent overview of Langley's contribution to the aeronautics industry.

Tcheng, Erene