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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 397 records · Page 22

Modulating Enzyme Activity by Altering Protein Dynamics with Solvent

Optimal enzyme activity depends on a number of factors, including structure and dynamics. The role of enzyme structure is well recognized; however, the linkage between protein dynamics and enzyme activity has given rise to a contentious debate. We have developed an approach that uses an aqueous mixture of organic solvent to control the functionally relevant enzyme dynamics (without changing the structure), which in turn modulates the enzyme activity. Using this approach, we predicted that the hydride transfer reaction catalyzed by the enzyme dihydrofolate reductase (DHFR) from Escherichia coli in aqueous mixtures of isopropanol (IPA) with water will decrease by ~3 fold at 20% (v/v) IPA concentration. Stopped-flow kinetic measurements find that the pH-independent k hydride rate decreases by 2.2 fold. X-ray crystallographic enzyme structures show no noticeable differences, while computational studies indicate that the transition state and electrostatic effects were identical for water and mixed solvent conditions; quasi-elastic neutron scattering studies show that the dynamical enzyme motions are suppressed. Our approach provides a unique avenue to modulating enzyme activity through changes in enzyme dynamics. Further it provides vital insights that show the altered motions of DHFR cause significant changes in the enzyme's ability to access its functionally relevant conformational substates, explaining the decreased k hydride rate. This approach has important implications for obtaining fundamental insights into the role of rate-limiting dynamics in catalysis and as well as for enzyme engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photovoltaic response in pristine WSe{sub 2} layers modulated by metal-induced surface-charge-transfer doping

We obtained photovoltaic response in pristine multilayer WSe{sub 2} by sandwiching WSe{sub 2} between top and bottom metals. In this structure, the work-function difference between the top metal and WSe{sub 2} plays a critical role in generating built-in potentials and photovoltaic responses. Our devices with Zn as top metal exhibit photo-conversion efficiencies up to 6.7% under 532 nm illumination and external quantum efficiencies in the range of 40%–83% for visible light. This work provides a method for generating photovoltaic responses in layered semiconductors without detrimental doping or exquisite heterostructures, and also advances the physics for modulating the band structures of such emerging semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Incorporating Data Link Features into a Multi-Function Display to Support Self-Separation and Spacing Tasks for General Aviation Pilots

One objective of the Small Aircraft Transportation System (SATS) Higher Volume Operations (HVO) project is to increase the capacity and utilization of small non-towered, non-radar equipped airports by transferring traffic management activities to an automated Airport Management Module (AMM) and separation responsibilities to general aviation (GA) pilots. Implementation of this concept required the development of a research Multi-Function Display (MFD) to support the interactive communications between pilots and the AMM. The interface also had to accommodate traffic awareness, self-separation, and spacing tasks through dynamic messaging and symbology for flight path conformance and conflict detection and alerting (CDA). The display served as the mechanism to support the examination of the viability of executing instrument operations designed for SATS designated airports. Results of simulation and flight experiments conducted at the National Aeronautics and Space Administration's (NASA) Langley Research Center indicate that the concept, as facilitated by the research MFD, did not increase pilots subjective workload levels or reduce their situation awareness (SA). Post-test usability assessments revealed that pilots preferred using the enhanced MFD to execute flight procedures, reporting improved SA over conventional instrument flight rules (IFR) procedures.

Adams, Catherine A.↗

Ferredoxin reductase regulates proliferation, differentiation, cell cycle and lipogenesis but not apoptosis in SZ95 sebocytes

Highlights: • FDXR expression is increased in sebaceous cells of acne lesions. • FDXR may enhance sebocyte differentiation and lipogenesis via ROS production. • FDXR might inhibit proliferation through inducing G2/S blockade. • IGF-1 could facilitate sebaceous differentiation and lipogenesis via PI3K/Akt/FDXR pathway. Ferredoxin reductase (FDXR), a mitochondrial membrane-associated flavoprotein, is essential for electron transfer and modulates p53-dependent apoptosis in cancer cells.FDXR may be implicated in epidermal and sebocytic differentiation, but its explicit function in sebocytes remains to be elucidated. In the present study, immunohistochemistry revealed that FDXR expression was increased in sebaceous cells of acne lesions. FDXR, PPARγ, LXRα/β, SREBP1 and Sox9 expression was incremental during sebocyte differentiation. FDXR overexpression induced by Ad-GFP-FDXR infection enhanced differentiation, reactive oxygen species (ROS), lipogenesis and PPARγ expression, and consequnently inhibited proliferation in SZ95 sebocytes. Flow cytometry showed that FDXR overexpression induced significant blockade of G2/M phase but had no effect on sub-G1 (apoptotic) sebocytes. Insulin-like growth factor-1 (IGF-1)-induced FDXR and PPARγ expression and lipogenesis were abolished by pretreatment with PI3K inhibitor LY294002. These results suggest that FDXR overexpression might promote differentiation and lipogenesis via ROS production and suppress proliferation via G2/S blockade in SZ95 sebocytes. IGF-1 could facilitate differentiation and lipogenesis through PI3K/Akt/FDXR pathway. FDXR could serve as a potential marker of advanced sebaceous differentiation, and its overexpression may be involved in the development of acne lesions.

60 APPLIED LIFE SCIENCES↗

Fabrication and characterization of shunted μ-SQUID

In order to eliminate hysteresis, we have fabricated and characterized niobium based shunted micron size superconducting quantum interference devices (μ-SQUIDs). We find a wide temperature range where these μ-SQUIDs are non-hysteretic in nature and show a very good I{sub c} vs. B oscillations in hysteretic regime and V vs. B oscillations in non-hysteretic regime. Here we report the characteristics of a shunted- μ-SQUID (Wf38LS72D5). In this device we have achieved a large voltage modulation, in non-hysteretic regime, at various temperatures including such as 1.1 mV at 6.62 K with a transfer function V{sub Φ} = 7.2mV/Φ{sub 0}. The figures within the original article PDF file, as supplied to AIP Publishing, were affected by a PDF-processing error. Consequently, the article re-flowed and pagination increased from 3 to 4 pages. This article was updated on 14 May 2014 to correct the PDF-processing error, with the scientific content remaining unchanged. Readers are advised that the replacement article PDF file contains an additional blank page to preserve the original pagination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modulation/demodulation techniques for satellite communications. Part 4: Appendices

The use of the Viterbi algorithm in a general context is examined. The generalized transfer function bounds are given which permit the following applications to be carried out: maximum likelihood demodulation of such bandwidth modulations as minimum-shift-keying and continuous phase frequency-shift-keying, demodulation of intersymbol interference and partial response signals, estimation and smoothing, and simultaneous phase synchronization, and data detection. Sufficient conditions are reviewed for tightening Chernoff and Rhattacharyya bounds.

Omura, J. K.↗

Printed assemblies of microscale triple–junction inverted metamorphic GaInP/GaAs/InGaAs solar cells

Inverted metamorphic (IMM) multijunction solar cells represent a promising material platform for ultrahigh efficiency photovoltaic systems (UHPVs) with a clear pathway to beyond 50% efficiency. The conventional device processing of IMM solar cells, however, typically involves wafer bonding of a centimeter-scale die and destructive substrate removal, thereby imposing severe restrictions in achievable cell size, type of module substrate, spatial layout, as well as cost effectiveness. Here, we report material design and fabrication strategies for microscale triple-junction IMM (3J IMM) Ga 0.51 In 0.49 P/GaAs/In 0.26 Ga 0.74 As solar cells that can overcome these difficulties. Specialized schemes of delineation and undercut etching enable the defect-free release of microscale IMM solar cells and printed assemblies on a glass substrate in a manner that preserves the growth substrate, where efficiencies of 27.3% and 33.9% are demonstrated at simulated AM1.5D one- and 351 sun illumination, respectively. A composite carrier substrate where released IMM microcells are formed in fully functional, print-ready configurations allows high-throughput transfer printing of individual IMM microcells in a programmable spatial layout on versatile choices of module substrate, all desired for CPV applications.

14 SOLAR ENERGY↗

The combined dynamics of swirler and turbulent premixed swirling flames

The dynamics of premixed confined swirling flames is investigated by examining their response to incident velocity perturbations. A generalized transfer function designated as the flame describing function (FDF) is determined by sweeping a frequency range extending from 0 to 400 Hz and by changing the root mean square fluctuation level between 0% and 72% of the bulk velocity. The unsteady heat release rate is deduced from the emission intensity of OH{sup *} radicals. This global information is complemented by phase conditioned Abel transformed emission images. This processing yields the distribution of light emission. By assuming that the light intensity is proportional to the heat release rate, it is possible to deduce the distribution of unsteady heat release rate in W m{sup -3} and see how it evolves with time during the modulation cycle and for different forcing frequencies. These data can be useful for the determination of regimes of instability but also give clues on the mechanisms which control the swirling flame dynamics. It is found from experiments and demonstrated analytically that a swirler submitted to axial acoustic waves originating from the upstream manifold generates a vorticity wave on its downstream side. The flame is then submitted to a transmitted axial acoustic perturbation which propagates at the speed of sound and to an azimuthal velocity perturbation which is convected at the flow velocity. The net result is that the dynamical response and unsteady heat release rate are determined by the combined effects of these axial and induced azimuthal velocity perturbations. The former disturbance induces a shedding of vortices from the injector lip which roll-up the flame extremity while the latter effectively perturbs the swirl number which results in an angular oscillation of the flame root. This motion is equivalent to that which would be induced by perturbations of the burning velocity. The phase between incident perturbations is controlled by the convective time delay between the swirler and the injector. The constructive or destructive interference between the different perturbations is shown to yield the low and high gains observed for certain frequencies. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of collisional heat transfer in ICRF power modulation experiment on ASDEX Upgrade

ICRF (ion cyclotron range of frequencies) heating experiments were performed in D-H plasmas at various H concentrations on ASDEX Upgrade. The rf power was modulated to measure the electron power deposition profile from electron temperature modulation. To minimize the contribution from indirect collisional heating and the effect of radial transport, the rf power was modulated at 50 Hz. However, peaking of electron temperature modulation was still observed around the hydrogen cyclotron resonance indicating collisional heating contribution. Time dependent simulation of the hydrogen distribution function was performed for the discharges, using the full-wave code AORSA (E.F. Jaeger, et al., Phys. Plasmas, Vol. 8, page 1573 (2001)) coupled to the Fokker-Planck code CQL3D (R.W. Harvey, et al., Proc. IAEA (1992)). In the present experimental conditions, it was found that modulation of the collisional heating was comparable to that of direct wave damping. Impact of radial transport was also analyzed and found to appreciably smear out the modulation profile and reduce the phase delay.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Energy conservation in real-time nuclear–electronic orbital Ehrenfest dynamics

Real-time nuclear–electronic orbital Ehrenfest (RT-NEO-Ehrenfest) dynamics methods provide a first-principles approach for describing nonadiabatic molecular processes with nuclear quantum effects. For an efficient description of proton transfer within RT-NEO-Ehrenfest dynamics, the basis function center associated with the quantum proton can be allowed to move classically. Here, this traveling proton basis (TPB) approach effectively captures proton quantum dynamics, although its energy conservation behavior is not yet fully satisfactory. Two recently proposed TPB approaches, in principle, conserve the extended energy, which includes both the system energy and the kinetic energy associated with the proton basis function center. Herein, a thermostatted TPB approach is proposed to improve the conservation of the system energy, excluding the kinetic energy associated with the proton basis function center. In this approach, the quantum proton dynamics are modulated by dynamically rescaling the proton momentum operator to maintain the system energy conservation. With the excited-state intramolecular proton transfer of o-hydroxybenzaldehyde as an example, this approach is shown to significantly improve the system energy conservation while preserving the accuracy of the quantum proton dynamics as achieved in the original TPB approach.

Ehrenfest dynamics↗

Phase Control on Surface for the Stabilization of High Energy Cathode Materials of Lithium Ion Batteries

The development of high energy electrode materials for lithium ion batteries is challenged by their inherent instabilities, which become more aggravated as the energy densities continue to climb, accordingly causing increasing concerns on battery safety and reliability. Here, taking the high voltage cathode of LiNi 0.5 Mn 1.5 O 4 as an example, we demonstrate a protocol to stabilize this cathode through a systematic phase modulating on its particle surface. We are able to transfer the spinel surface into a 30 nm shell composed of two functional phases including a rock-salt one and a layered one. The former is electrochemically inert for surface stabilization while the latter is designated to provide necessary electrochemical activity. The precise synthesis control enables us to tune the ratio of these two phases, and achieve an optimized balance between improved stability against structural degradation without sacrificing its capacity. This study highlights the critical importance of well-tailored surface phase property for the cathode stabilization of high energy lithium ion batteries.

25 ENERGY STORAGE↗

Multivariable Robust Control of a Simulated Hybrid Solid Oxide Fuel Cell Gas Turbine Plant

This work presents a systematic approach to the multivariable robust control of a hybrid fuel cell gas turbine plant. The hybrid configuration under investigation built by the National Energy Technology Laboratory comprises a physical simulation of a 300kW fuel cell coupled to a 120kW auxiliary power unit single spool gas turbine. The public facility provides for the testing and simulation of different fuel cell models that in turn help identify the key difficulties encountered in the transient operation of such systems. An empirical model of the built facility comprising a simulated fuel cell cathode volume and balance of plant components is derived via frequency response data. Through the modulation of various airflow bypass valves within the hybrid configuration, Bode plots are used to derive key input/output interactions in transfer function format. A multivariate system is then built from individual transfer functions, creating a matrix that serves as the nominal plant in an H{sub {infinity}} robust control algorithm. The controller’s main objective is to track and maintain hybrid operational constraints in the fuel cell’s cathode airflow, and the turbo machinery states of temperature and speed, under transient disturbances. This algorithm is then tested on a Simulink/MatLab platform for various perturbations of load and fuel cell heat effluence. As a complementary tool to the aforementioned empirical plant, a nonlinear analytical model faithful to the existing process and instrumentation arrangement is evaluated and designed in the Simulink environment. This parallel task intends to serve as a building block to scalable hybrid configurations that might require a more detailed nonlinear representation for a wide variety of controller schemes and hardware implementations.

30 DIRECT ENERGY CONVERSION↗

Ocean waves

Ocean wave data can be obtained from such active microwave probe techniques as monostatic HF and VHF, bistatic HF, HF synthetic aperture radar, altimeters, satellite and airborne synthetic aperture radar, carrier wave or pulsed dual-frequency radars, and coastal surveillance radar. Approaches to texture analysis of ocean wave imagery are discussed, with attention given to transform techniques or spatial frequency analysis, and the analysis of second-order gray level statistics. In addition, recommendations are made for further work on the modulation of short gravity waves by longer waves as a function of wind speed and wave direction, and the derivation of transfer functions for the ocean response of dual-frequency radars.

Bartsch, N.↗

Characterization Of Electrical Response Of Photodetector

Fourier analysis is basis of method of characterizing electrical frequency or time response of photodetector. In method, detector stimulated by optical input signal, intensity modulated with square wave or other repetitive waveform of known frequency spectrum, and output of detector recorded. Electro-optical transfer function, which characterizes frequency response of detector, then computed as ratio between discrete Fourier transforms of output and input waveforms.

Hagopian, John G.↗

Test-Anchored Vibration Response Predictions for an Acoustically Energized Curved Orthogrid Panel with Mounted Components

A rich body of vibroacoustic test data was recently generated at Marshall Space Flight Center for a curved orthogrid panel typical of launch vehicle skin structures. Several test article configurations were produced by adding component equipment of differing weights to the flight-like vehicle panel. The test data were used to anchor computational predictions of a variety of spatially distributed responses including acceleration, strain and component interface force. Transfer functions relating the responses to the input pressure field were generated from finite element based modal solutions and test-derived damping estimates. A diffuse acoustic field model was employed to describe the assumed correlation of phased input sound pressures across the energized panel. This application demonstrates the ability to quickly and accurately predict a variety of responses to acoustically energized skin panels with mounted components. Favorable comparisons between the measured and predicted responses were established. The validated models were used to examine vibration response sensitivities to relevant modeling parameters such as pressure patch density, mesh density, weight of the mounted component and model form. Convergence metrics include spectral densities and cumulative root-mean squared (RMS) functions for acceleration, velocity, displacement, strain and interface force. Minimum frequencies for response convergence were established as well as recommendations for modeling techniques, particularly in the early stages of a component design when accurate structural vibration requirements are needed relatively quickly. The results were compared with long-established guidelines for modeling accuracy of component-loaded panels. A theoretical basis for the Response/Pressure Transfer Function (RPTF) approach provides insight into trends observed in the response predictions and confirmed in the test data. The software modules developed for the RPTF method can be easily adapted for quick replacement of the diffuse acoustic field with other pressure field models; for example a turbulent boundary layer (TBL) model suitable for vehicle ascent. Wind tunnel tests have been proposed to anchor the predictions and provide new insight into modeling approaches for this type of environment. Finally, component vibration environments for design were developed from the measured and predicted responses and compared with those derived from traditional techniques such as Barrett scaling methods for unloaded and component-loaded panels.

Frady, Gregory P.↗

Fully Distributed Multi-Material Magnetic Sensing Structures for Multiparameter DAS Applications

This dissertation demonstrates the first of its kind distributed magnetic field sensor based on a fiber optic distributed acoustic sensing (DAS) scheme. Ferromagnetic nickel and Metglas® were dispersed internally within a fiber optic preform and then drawn on an in-house fiber optic draw tower to lengths in the kilometers. Due to the close proximity of the ferromagnetic metals and fiber optic core, the magnetostrictive strain response of the ferromagnetic materials when exposed to a magnetic field would perturbate within the fiber cladding and transfer that strain, internally, to the fiber optic core. Strain resulting from the magnetostrictive effect allows the DAS based sensor to accurately translate strain into readable magnetic field data. Due to the high sensitivity seen in this sensor design, multiparameter sources, acoustic and magnetic fields, were tested and validated and a three dimensional magnetic-field vector sensor was proposed. Numerical analysis of the novel sensor design was first implemented using COMSOL Multiphysics, where inputs such as magnetostrictive element shape, size, distance, and number were first investigated. Upon optimizing system constraints, the sensor design was further modified such that single mode operation was consistent across multiple fiber draws while retaining high strain transfer from the ferromagnetic elements to the fiber optic core. Ferromagnetic material selection was evaluated as a function of the saturation magnetostriction constants and a total of 4 modules were used to fully characterize the complex physics involved in this sensor design. All fabrication and testing were performed in-house using a full scale 3-story fiber draw tower and custom environmental testing stations to imitate naturally occurring events such as magnetic or acoustic point sources. A unique stacking method was used to embed ferromagnetic nickel and Metglas® into a fiber optic preform which when combined with a custom fiber draw process resulted in consistent multi-material fibers drawn to lengths of 1-km. In-house testing facilities included different types of electromagnetic generators, in addition to a soil test bed, and an outdoor test bed which allowed 100 meters of fiber to be tested simultaneously. All tested sensors demonstrated high strain transfer capabilities on the order of 0.01-10 μϵ depending on the materials used, ferromagnetic rod number, and core to metal spacing. Due to the sensitivity of the system the difference between AC and DC was distinct, and directional magnetostriction was studied. Transverse and longitudinal magnetic wave propagation was controlled through a solenoid and rectangular Helmholtz coil, both built in-house. A three-dimensional magnetic field vector sensor was proposed due to the success of the magnetic field sensor, and a design was proposed and initially tested to validate direction as a function of field strength and distance. To summarize, this dissertation explores the first fully distributed magnetic field sensor using DAS based techniques and one of the first multi-material fiber draw processes which can produce consistent single mode fiber up to 1-km. Due to extensive FEA modeling, multiple iterations of the magnetic sensor were fully characterized and an equation describing the relationship between sensor design and strain transfer has been created and validated experimentally. Multi-parameter tests including acoustic and magnetic fields were implemented and an algorithm was developed to separate the mixed signals. Finally, a test was performed to demonstrate the feasibility of sensing magnetic fields directionally. Cumulative results demonstrate a high-quality sensor alternative to current designs which may surpass other magnetic sensors due to innate multi-parameter capabilities, in addition to the inexpensive production cost and extremely long operating lengths.

02 PETROLEUM↗

Systems biology defines the biological significance of redox‐active proteins during cellulose degradation in an aerobic bacterium

Summary Microbial depolymerization of plant cell walls contributes to global carbon balance and is a critical component of renewable energy. The genomes of lignocellulose degrading microorganisms encode diverse classes of carbohydrate modifying enzymes, although currently there is a paucity of knowledge on the role of these proteins in vivo . We report the comprehensive analysis of the cellulose degradation system in the saprophytic bacterium C ellvibrio japonicus . Gene expression profiling of C . japonicus demonstrated that three of the 12 predicted β‐1,4 endoglucanases ( cel5A , cel5B , and cel45A ) and the sole predicted cellobiohydrolase ( cel6A ) showed elevated expression during growth on cellulose. Targeted gene disruptions of all 13 predicted cellulase genes showed that only cel5B and cel6A were required for optimal growth on cellulose. Our analysis also identified three additional genes required for cellulose degradation: lpmo10B encodes a lytic polysaccharide monooxygenase ( LPMO ), while cbp2D and cbp2E encode proteins containing carbohydrate binding modules and predicted cytochrome domains for electron transfer. Cj LPMO10B oxidized cellulose and C bp2 D demonstrated spectral properties consistent with redox function. Collectively, this report provides insight into the biological role of LPMOs and redox proteins in cellulose utilization and suggests that C . japonicus utilizes a combination of hydrolytic and oxidative cleavage mechanisms to degrade cellulose.

Gardner, Jeffrey G.↗

On the calculation of squaring loss in Costas loops with arbitrary arm filters

Specific numerical results for the squaring loss in Costas loop tracking are discussed for cases when the input data were biphase-L, and the Costas loop arm filters were of the n-pole Butterworth type. It is pointed out that a simple scientific calculator may be used for the computations, provided the transfer function of the arm filter has simple poles. The technique can also be used to compute the squaring loss in other modulation forms, such as unbalanced quadriphase-shift-keying (QPSK).

Simon, M. K.↗