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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 1,117 records · Page 62

Energy transfer and energy level decay processes in Tm{sup 3+}-doped tellurite glass

The primary excited state decay and energy transfer processes in singly Tm{sup 3+}-doped TeO{sub 2}:ZnO:Bi{sub 2}O{sub 3}:GeO{sub 2} (TZBG) glass relating to the {sup 3}F{sub 4}{yields}{sup 3}H{sub 6}{approx}1.85 {mu}m laser transition have been investigated in detail using time-resolved fluorescence spectroscopy. Selective laser excitation of the {sup 3}H{sub 4} manifold at 794 nm, the {sup 3}H{sub 5} manifold at 1220 nm, and {sup 3}F{sub 4} manifold at 1760 nm has established that the {sup 3}H{sub 5} manifold is entirely quenched by multiphonon relaxation in tellurite glass. The luminescence from the {sup 3}H{sub 4} manifold with an emission peak at 1465 nm suffers strong suppression due to cross relaxation that populates the {sup 3}F{sub 4} level with a near quadratic dependence on the Tm{sup 3+} concentration. The {sup 3}F{sub 4} lifetime becomes longer as the Tm{sup 3+} concentration increases due to energy migration and decreases to 2.92 ms when [Tm{sup 3+}] = 4 mol. % as a result of quasi-resonant energy transfer to free OH{sup -} radicals present in the glass at concentrations between 1 x 10{sup 18} cm{sup -3} and 2 x 10{sup 18} cm{sup -3}. Judd-Ofelt theory in conjunction with absorption measurements were used to obtain the radiative lifetimes and branching ratios of the energy levels located below 25 000 cm{sup -1}. The spectroscopic parameters, the cross relaxation and Tm{sup 3+}({sup 3}F{sub 4}) {yields} OH{sup -} energy transfer rates were used in a numerical model for laser transitions emitting at 2335 nm and 1865 nm.

36 MATERIALS SCIENCE↗

The Role of Reducible Oxide-Metal Cluster Charge Transfer in Catalytic Processes. New Insights on The Catalytic Mechanism of CO Oxidation on Au/TiO 2 from Ab Initio Molecular Dynamics

To probe metal particle/reducible oxide interactions Density Functional Theory based Ab Initio Molecular Dynamics studies were performed on a prototypical metal cluster (Au 2 0) supported on reducible oxides (rutile TiO 2 (110)) to implicitly account for finite temperature effects and the role of excess surface charge in the metal oxide. It was found that the charge state of the Au particle is negative in a reducing chemical environment whereas in the presence of oxidizing species co-adsorbed to the oxide surface the cluster obtained a net positive charge. In the context of the well known CO oxidation reaction, charge transfer facilitates the plasticization of Au 2 0 which allows for a strong adsorbate induced surface reconstruction upon addition of CO leading to the formation of mobile Au-CO species on the surface. The charging/discharging of the cluster during the catalytic cycle of CO oxidation enhances and controls the amount of O 2 adsorbed at oxide surface/cluster interface and strongly influences the energetics of all redox steps in catalytic conversions. A detailed comparison of the current findings with previous studies is presented and generalities about the role of surface-adsorbate charge transfer for metal cluster/reducible oxide interactions are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state

Excitation energy transfer (EET) is a key photoinduced process in biological chromophoric assemblies. Here we investigate the factors which can drive EET into efficient ultrafast sub-ps regimes. We demonstrate how a coherent transport of electronic population could facilitate this in water solvated NADH coenzyme and uncover the role of an intermediate dark charge-transfer state. High temporal resolution ultrafast optical spectroscopy gives a 54 ± 11 fs time constant for the EET process. Nonadiabatic quantum dynamical simulations computed through the time-evolution of multidimensional wavepackets suggest that the population transfer is mediated by photoexcited molecular vibrations due to strong coupling between the electronic states. The polar aqueous solvent environment leads to the active participation of a dark charge transfer state, accelerating the vibronically coherent EET process in favorably stacked conformers and solvent cavities. Our work demonstrates how the interplay of structural and environmental factors leads to diverse pathways for the EET process in flexible heterodimers and provides general insights relevant for coherent EET processes in stacked multichromophoric aggregates like DNA strands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Orbital transfer vehicle launch operations study. Processing flows. Volume 3

The Orbit Transfer Vehicle (OTV) processing flow and Resource Identification Sheets (RISs) for the ground based orbit transfer vehicle and for the space based orbit transfer vehicle are the primary source of information for the rest of the Kennedy Space Center (KSC) OTV Launch Operations Study. Work is presented which identifies KSC facility requirements for the OTV Program, simplifies or automates either flow though the application technology, revises test practices and identifies crew sizes or skills used. These flows were used as the primary point of departure from current operations and practices. Analyses results were documented by revising the appropriate RIS page.

Source record↗

The Subscale Orbital Fluid Transfer Experiment

The Center for Advanced Spacecraft Propulsion (CASP) is a subcontractor to Boeing Aerospace Corporation to provide support for the concept definition and design of a subscale orbital fluid transfer experiment (SOFTE). SOFTE is an experiment that will look at the fluid mechanics of the process of transfer of a saturated fluid between two tanks. The experiment will be placed in two get away special (GAS) can containers; the tanks will be in one container and the power and electronics will be in a second container. Since GAS cans are being used, the experiment will be autonomous. The work during the present year consisted of examining concepts for visual observation of the fluid transfer process, methods for accurately metering the amount of fluid transferred between the two tanks, possible test fluids, and materials for the elastomeric diaphragm.

Meserole, J. S.↗

Synergetic effect of Ti 3+ and oxygen doping on enhancing photoelectrochemical and photocatalytic properties of TiO 2 /g-C 3 N 4 heterojunctions

To improve the utilization of visible light and reduce photogenerated electron/hole recombination, Ti 3+ self-doped TiO 2 /oxygen-doped graphitic carbon nitride (Ti 3+ -TiO 2 /O-g-C 3 N 4 ) heterojunctions were prepared via hydrothermal treatment of a mixture of g-C 3 N 4 and titanium oxohydride sol obtained from the reaction of TiH 2 with H 2 O 2 . In this way, exfoliated O-g-C 3 N 4 and Ti 3+ -TiO 2 nanoparticles were obtained. Simultaneously, strong bonding was formed between Ti 3+ -TiO 2 nanoparticles and exfoliated O-g-C 3 N 4 during the hydrothermal process. Charge transfer and recombination processes were characterized by transient photocurrent responses, electrochemical impedance test, and photoluminescence spectroscopy. The photocatalytic performances were investigated through rhodamine B degradation test under an irradiation source based on 30 W cold visible-light-emitting diode. The highest visible-light photoelectrochemical and photocatalytic activities were observed from the heterojunction with 1:2 mass ratio of Ti 3+ -TiO 2 to O-g-C 3 N 4 . The photodegradation reaction rate constant based on this heterojuction is 0.0356 min -1 , which is 3.87 and 4.56 times higher than those of pristine Ti 3+ -TiO 2 and pure g-C 3 N 4 , respectively. Here, the remarkably high photoelectrochemical and photocatalytic performances of the heterojunctions are mainly attributed to the synergetic effect of efficient photogenerated electron-hole separation, decreased electron transfer resistance from interfacial chemical hydroxy residue bonds, and oxidizing groups originating from Ti 3+ -TiO 2 and O-g-C 3 N 4 .

25 ENERGY STORAGE↗

Modifications on the hydrogen bond network by mutations of Escherichia coli copper efflux oxidase affect the process of proton transfer to dioxygen leading to alterations of enzymatic activities

Highlights: Black-Right-Pointing-Pointer Proton transfer pathway to dioxygen in CueO was identified. Black-Right-Pointing-Pointer Glu506 is the key amino acid to transport proton. Black-Right-Pointing-Pointer The Ala mutation at Glu506 formed a compensatory proton transfer pathway. Black-Right-Pointing-Pointer The Ile mutation at Glu506 shut down the hydrogen bond network. -- Abstract: CueO has a branched hydrogen bond network leading from the exterior of the protein molecule to the trinuclear copper center. This network transports protons in the four-electron reduction of dioxygen. We replaced the acidic Glu506 and Asp507 residues with the charged and uncharged amino acid residues. Peculiar changes in the enzyme activity of the mutants relative to the native enzyme indicate that an acidic amino acid residue at position 506 is essential for effective proton transport. The Ala mutation resulted in the formation of a compensatory hydrogen bond network with one or two extra water molecules. On the other hand, the Ile mutation resulted in the complete shutdown of the hydrogen bond network leading to loss of enzymatic activities of CueO. In contrast, the hydrogen bond network without the proton transport function was constructed by the Gln mutation. These results exerted on the hydrogen bond network in CueO are discussed in comparison with proton transfers in cytochrome oxidase.

60 APPLIED LIFE SCIENCES↗

Control of growth and the processes of energy transfer from CdSe quantum dots for Nd{sup 3+} ions in a vitreous system: Thermal annealing time

The authors report clear evidence of radiative and nonradiative energy transfer from CdSe quantum dots to Nd{sup 3+} ions in a glass system synthesized by melting method. An efficient control of energy transfer can be obtained by controlling the mean radius of the CdSe quantum dots. Increase of about 100% of the near infrared Nd{sup 3+} emission ({sup 4}F{sub 3/2}{yields}{sup 4}I{sub 9/2}) was observed as a function of thermal annealing time.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

SolVap_StarTer (Solvent Evaporation Graphical User Interface) [SWR-26-029]

SolVap_StarTer is an open-source solvent evaporation GUI. The software combines previously published (peer-reviewed scientific journals) evaporation and crystallization physics into an easy-to-use graphical interface. The software will allow the user to specify a coating composition and drying environment, and then predict the evolution of the film as it dries. Potential applications include tracking the change in multi-solvent composition and solute concentration in solution-processed perovskites films, predicting the point of crystallization, and calculating equivalent processing parameters for transferring a process between different coating and drying methods. Github repo: https://github.com/NatLabRockies/SolVap Streamlit app: https://solvap.streamlit.app/

Starger, Jesse [National Laboratory of the Rockies↗

GCKP84--General Chemical Kinetics Code for Gas-Phase Flow and Batch Processes Including Heat Transfer Effects

A general chemical kinetics code is described for complex, homogeneous ideal gas reactions in any chemical system. The main features of the GCKP84 code are flexibility, convenience, and speed of computation for many different reaction conditions. The code, which replaces the GCKP code published previously, solves numerically the differential equations for complex reaction in a batch system or one dimensional inviscid flow. It also solves numerically the nonlinear algebraic equations describing the well stirred reactor. A new state of the art numerical integration method is used for greatly increased speed in handling systems of stiff differential equations. The theory and the computer program, including details of input preparation and a guide to using the code are given.

David A Bittker↗

Space network scheduling benchmark: A proof-of-concept process for technology transfer

This paper describes a detailed proof-of-concept activity to evaluate flexible scheduling technology as implemented in the Request Oriented Scheduling Engine (ROSE) and applied to Space Network (SN) scheduling. The criteria developed for an operational evaluation of a reusable scheduling system is addressed including a methodology to prove that the proposed system performs at least as well as the current system in function and performance. The improvement of the new technology must be demonstrated and evaluated against the cost of making changes. Finally, there is a need to show significant improvement in SN operational procedures. Successful completion of a proof-of-concept would eventually lead to an operational concept and implementation transition plan, which is outside the scope of this paper. However, a high-fidelity benchmark using actual SN scheduling requests has been designed to test the ROSE scheduling tool. The benchmark evaluation methodology, scheduling data, and preliminary results are described.

Moe, Karen↗

Heat Transfer Enhancement in Cryogenic Quenching Process

This paper reports a heat transfer advancement in the cryogenic quenching process. An experiment was performed to evaluate the enhancement of quenching heat transfer by the use of metal tubes with low thermal conductivity coating layers. Four coating thicknesses with various coolant mass flow rates of liquid nitrogen were investigated. The results indicated that the tube inner surface coating greatly enhanced the quenching efficiency. The quenching efficiency was found to increase with increasing number of coating layers, and the efficiency also increased with decreasing mass flow rates. In general, the efficiencies cover a range between 40.6% and 80%. Comparing to the bare surface case, the percentage increase in the quenching efficiency was the minimum at 4.2% for a single coated layer at the highest flow rate and the maximum of 109.1% for four coated layers at the lowest flow rate. The coated tubes could save up to 53% in the amount of cryogen consumption.

Surface coating↗

Using CASE to Exploit Process Modeling in Technology Transfer

A successful business will be one that has processes in place to run that business. Creating processes, reengineering processes, and continually improving processes can be accomplished through extensive modeling. Casewise(R) Corporate Modeler(TM) CASE is a computer aided software engineering tool that will enable the Technology Transfer Department (TT) at NASA Marshall Space Flight Center (MSFC) to capture these abilities. After successful implementation of CASE, it could then go on to be applied in other departments at MSFC and other centers at NASA. The success of a business process is dependent upon the players working as a team and continuously improving the process. A good process fosters customer satisfaction as well as internal satisfaction in the organizational infrastructure. CASE provides a method for business process success through functions consisting of systems and processes business models; specialized diagrams; matrix management; simulation; report generation and publishing; and, linking, importing, and exporting documents and files. The software has an underlying repository or database to support these functions. The Casewise. manual informs us that dynamics modeling is a technique used in business design and analysis. Feedback is used as a tool for the end users and generates different ways of dealing with the process. Feedback on this project resulted from collection of issues through a systems analyst interface approach of interviews with process coordinators and Technical Points of Contact (TPOCs).

Renz-Olar, Cheryl↗

Active magnetic regenerative liquefier using process gas pre-cooling from bypass flow of heat transfer fluid

A process for liquefying a process gas that includes: introducing a heat transfer fluid into an active magnetic regenerative refrigerator apparatus that includes a low magnetic or demagnetized field section; continuously diverting a bypass portion of the heat transfer fluid from a cold side of the low magnetic or demagnetized field section into a bypass flow heat exchanger at a first cold inlet temperature; and continuously introducing the process gas into the bypass flow heat exchanger at a first hot inlet temperature and discharging the process gas or liquid from the bypass flow heat exchanger at a first cold exit temperature; wherein the temperature difference between bypass heat transfer first cold inlet temperature and the process gas first cold exit temperature is 1 to 5 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Single-Molecule Interfacial Electron Transfer

This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static and dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO 2 and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO 2 nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO 2 nanoparticle surfaces by using ultrafast single-molecule spectroscopy and electrochemical AFM metal tip scanning microscopy, focusing on understanding the interfacial electron transfer dynamics at specific nanoscale electron transfer sites with high-spatially and temporally resolved topographic-and-spectroscopic characterization at individual molecule basis, characterizing single-molecule rate processes, reaction driving force, and molecule-substrate electronic coupling. One of the most significant characteristics of our new approach is that we are able to interrogate the complex interfacial electron transfer dynamics by actively pin-point energetic manipulation of the surface interaction and electronic couplings, beyond the conventional excitation and observation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗