The NASTRAN theoretical manual

NASA Technical Reports Server (NTRS)

1981-01-01

Designed to accommodate additions and modifications, this commentary on NASTRAN describes the problem solving capabilities of the program in a narrative fashion and presents developments of the analytical and numerical procedures that underlie the program. Seventeen major sections and numerous subsections cover; the organizational aspects of the program, utility matrix routines, static structural analysis, heat transfer, dynamic structural analysis, computer graphics, special structural modeling techniques, error analysis, interaction between structures and fluids, and aeroelastic analysis.

Methods for heat transfer and temperature field analysis of the insulated diesel phase 2 progress report

NASA Technical Reports Server (NTRS)

Morel, T.; Kerlbar, R.; Fort, E. F.; Blumberg, P. N.

1985-01-01

This report describes work done during Phase 2 of a 3 year program aimed at developing a comprehensive heat transfer and thermal analysis methodology for design analysis of insulated diesel engines. The overall program addresses all the key heat transfer issues: (1) spatially and time-resolved convective and radiative in-cylinder heat transfer, (2) steady-state conduction in the overall structure, and (3) cyclical and load/speed temperature transients in the engine structure. During Phase 2, radiation heat transfer model was developed, which accounts for soot formation and burn up. A methodology was developed for carrying out the multi-dimensional finite-element heat conduction calculations within the framework of thermodynamic cycle codes. Studies were carried out using the integrated methodology to address key issues in low heat rejection engines. A wide ranging design analysis matrix was covered, including a variety of insulation strategies, recovery devices and base engine configurations. A single cylinder Cummins engine was installed at Purdue University, and it was brought to a full operational status. The development of instrumentation was continued, concentrating on radiation heat flux detector, total heat flux probe, and accurate pressure-crank angle data acquisition.

Finite-element reentry heat-transfer analysis of space shuttle Orbiter

NASA Technical Reports Server (NTRS)

Ko, William L.; Quinn, Robert D.; Gong, Leslie

1986-01-01

A structural performance and resizing (SPAR) finite-element thermal analysis computer program was used in the heat-transfer analysis of the space shuttle orbiter subjected to reentry aerodynamic heating. Three wing cross sections and one midfuselage cross section were selected for the thermal analysis. The predicted thermal protection system temperatures were found to agree well with flight-measured temperatures. The calculated aluminum structural temperatures also agreed reasonably well with the flight data from reentry to touchdown. The effects of internal radiation and of internal convection were found to be significant. The SPAR finite-element solutions agreed reasonably well with those obtained from the conventional finite-difference method.

Synthesis, characterization, crystal structure and solution studies of a novel proton transfer (charge transfer) complex of 2,2‧-dipyridylamine with 2,6-pyridine dicarboxylic acid

NASA Astrophysics Data System (ADS)

Ghasemi, Khaled; Rezvani, Ali Reza; Shokrollahi, Ardeshir; Zarghampour, Fereshteh; Moghimi, Abolghasem; García-Granda, Santiago; Mendoza-Meroño, Rafael

2015-06-01

Reaction between 2,2‧-dipyridylamine (DPA) and 2,6-pyridine dicarboxylic acid (dipicolinic acid, dipicH2), in water results in the formation of a proton transfer or charge transfer (CT) complex, (DPAH)+(dipicH)-·H2O, 1. The characterization was performed using 1H NMR and FTIR spectroscopy, elemental analysis and X-ray crystallography. The crystal system is triclinic with space group P1. The structural investigations exhibit that the hydrogen bonds and π-π stacking interactions stabilize the crystal structure of proton transfer complex. The protonation constants of 2,6-pyridine dicarboxylic acid, 2,2‧-dipyridylamine and the equilibrium constants for dipic-DPA (1:1) proton transfer system were calculated by potentiometric pH titration method using Hyperquad2008 program. The stoichiometries of the proton transfer species in solution was in agreement with the solid state result.

The effect of fatigue cracks on fastener flexibility, load distribution, and fatigue crack growth

NASA Astrophysics Data System (ADS)

Whitman, Zachary Layne

Fatigue cracks typically occur at stress risers such as geometry changes and holes. This type of failure has serious safety and economic repercussions affecting structures such as aircraft. The need to prevent catastrophic failure due to fatigue cracks and other discontinuities has led to durability and damage tolerant methodologies influencing the design of aircraft structures. Holes in a plate or sheet filled with a fastener are common fatigue critical locations in aircraft structure requiring damage tolerance analysis (DTA). Often, the fastener is transferring load which leads to a loading condition involving both far-field stresses such as tension and bending, and localized bearing at the hole. The difference between the bearing stress and the tensile field at the hole is known as load transfer. The ratio of load transfer as well as the magnitude of the stresses plays a significant part in how quickly a crack will progress to failure. Unfortunately, the determination of load transfer in a complex joint is far from trivial. Many methods exist in the open literature regarding the analysis of splices, doublers and attachment joints to determine individual fastener loads. These methods work well for static analyses but greater refinement is needed for crack growth analysis. The first fastener in a splice or joint is typically the most critical but different fastener flexibility equations will all give different results. The constraint of the fastener head and shop end, along with the type of fastener, affects the stiffness or flexibility of the fastener. This in turn will determine the load that the fastener will transfer within a given fastener pattern. However, current methods do not account for the change in flexibility at a fastener as the crack develops. It is put forth that a crack does indeed reduce the stiffness of a fastener by changing its constraint, thus lessening the load transfer. A crack growth analysis utilizing reduced load transfer will result in a slower growing crack versus an analysis that ignores the effect.

Multidisciplinary System Reliability Analysis

NASA Technical Reports Server (NTRS)

Mahadevan, Sankaran; Han, Song; Chamis, Christos C. (Technical Monitor)

2001-01-01

The objective of this study is to develop a new methodology for estimating the reliability of engineering systems that encompass multiple disciplines. The methodology is formulated in the context of the NESSUS probabilistic structural analysis code, developed under the leadership of NASA Glenn Research Center. The NESSUS code has been successfully applied to the reliability estimation of a variety of structural engineering systems. This study examines whether the features of NESSUS could be used to investigate the reliability of systems in other disciplines such as heat transfer, fluid mechanics, electrical circuits etc., without considerable programming effort specific to each discipline. In this study, the mechanical equivalence between system behavior models in different disciplines are investigated to achieve this objective. A new methodology is presented for the analysis of heat transfer, fluid flow, and electrical circuit problems using the structural analysis routines within NESSUS, by utilizing the equivalence between the computational quantities in different disciplines. This technique is integrated with the fast probability integration and system reliability techniques within the NESSUS code, to successfully compute the system reliability of multidisciplinary systems. Traditional as well as progressive failure analysis methods for system reliability estimation are demonstrated, through a numerical example of a heat exchanger system involving failure modes in structural, heat transfer and fluid flow disciplines.

Multi-Disciplinary System Reliability Analysis

NASA Technical Reports Server (NTRS)

Mahadevan, Sankaran; Han, Song

1997-01-01

The objective of this study is to develop a new methodology for estimating the reliability of engineering systems that encompass multiple disciplines. The methodology is formulated in the context of the NESSUS probabilistic structural analysis code developed under the leadership of NASA Lewis Research Center. The NESSUS code has been successfully applied to the reliability estimation of a variety of structural engineering systems. This study examines whether the features of NESSUS could be used to investigate the reliability of systems in other disciplines such as heat transfer, fluid mechanics, electrical circuits etc., without considerable programming effort specific to each discipline. In this study, the mechanical equivalence between system behavior models in different disciplines are investigated to achieve this objective. A new methodology is presented for the analysis of heat transfer, fluid flow, and electrical circuit problems using the structural analysis routines within NESSUS, by utilizing the equivalence between the computational quantities in different disciplines. This technique is integrated with the fast probability integration and system reliability techniques within the NESSUS code, to successfully compute the system reliability of multi-disciplinary systems. Traditional as well as progressive failure analysis methods for system reliability estimation are demonstrated, through a numerical example of a heat exchanger system involving failure modes in structural, heat transfer and fluid flow disciplines.

System technology analysis of aeroassisted orbital transfer vehicles: Moderate lift/drag (0.75-1.5). Volume 3: Cost estimates and work breakdown structure/dictionary, phase 1 and 2

NASA Technical Reports Server (NTRS)

1985-01-01

Technology payoffs of representative ground based (Phase 1) and space based (Phase 2) mid lift/drag ratio aeroassisted orbit transfer vehicles (AOTV) were assessed and prioritized. A narrative summary of the cost estimates and work breakdown structure/dictionary for both study phases is presented. Costs were estimated using the Grumman Space Programs Algorithm for Cost Estimating (SPACE) computer program and results are given for four AOTV configurations. The work breakdown structure follows the standard of the joint government/industry Space Systems Cost Analysis Group (SSCAG). A table is provided which shows cost estimates for each work breakdown structure element.

An environmental transfer hub for multimodal atom probe tomography.

PubMed

Perea, Daniel E; Gerstl, Stephan S A; Chin, Jackson; Hirschi, Blake; Evans, James E

2017-01-01

Environmental control during transfer between instruments is required for samples sensitive to air or thermal exposure to prevent morphological or chemical changes prior to analysis. Atom probe tomography is a rapidly expanding technique for three-dimensional structural and chemical analysis, but commercial instruments remain limited to loading specimens under ambient conditions. In this study, we describe a multifunctional environmental transfer hub allowing controlled cryogenic or room-temperature transfer of specimens under atmospheric or vacuum pressure conditions between an atom probe and other instruments or reaction chambers. The utility of the environmental transfer hub is demonstrated through the acquisition of previously unavailable mass spectral analysis of an intact organic molecule made possible via controlled cryogenic transfer into the atom probe using the hub. The ability to prepare and transfer specimens in precise environments promises a means to access new science across many disciplines from untainted samples and allow downstream time-resolved in situ atom probe studies.

The dynamics of information-driven coordination phenomena: A transfer entropy analysis

PubMed Central

Borge-Holthoefer, Javier; Perra, Nicola; Gonçalves, Bruno; González-Bailón, Sandra; Arenas, Alex; Moreno, Yamir; Vespignani, Alessandro

2016-01-01

Data from social media provide unprecedented opportunities to investigate the processes that govern the dynamics of collective social phenomena. We consider an information theoretical approach to define and measure the temporal and structural signatures typical of collective social events as they arise and gain prominence. We use the symbolic transfer entropy analysis of microblogging time series to extract directed networks of influence among geolocalized subunits in social systems. This methodology captures the emergence of system-level dynamics close to the onset of socially relevant collective phenomena. The framework is validated against a detailed empirical analysis of five case studies. In particular, we identify a change in the characteristic time scale of the information transfer that flags the onset of information-driven collective phenomena. Furthermore, our approach identifies an order-disorder transition in the directed network of influence between social subunits. In the absence of clear exogenous driving, social collective phenomena can be represented as endogenously driven structural transitions of the information transfer network. This study provides results that can help define models and predictive algorithms for the analysis of societal events based on open source data. PMID:27051875

The dynamics of information-driven coordination phenomena: A transfer entropy analysis.

PubMed

Borge-Holthoefer, Javier; Perra, Nicola; Gonçalves, Bruno; González-Bailón, Sandra; Arenas, Alex; Moreno, Yamir; Vespignani, Alessandro

2016-04-01

Data from social media provide unprecedented opportunities to investigate the processes that govern the dynamics of collective social phenomena. We consider an information theoretical approach to define and measure the temporal and structural signatures typical of collective social events as they arise and gain prominence. We use the symbolic transfer entropy analysis of microblogging time series to extract directed networks of influence among geolocalized subunits in social systems. This methodology captures the emergence of system-level dynamics close to the onset of socially relevant collective phenomena. The framework is validated against a detailed empirical analysis of five case studies. In particular, we identify a change in the characteristic time scale of the information transfer that flags the onset of information-driven collective phenomena. Furthermore, our approach identifies an order-disorder transition in the directed network of influence between social subunits. In the absence of clear exogenous driving, social collective phenomena can be represented as endogenously driven structural transitions of the information transfer network. This study provides results that can help define models and predictive algorithms for the analysis of societal events based on open source data.

Nurses' participation in personal knowledge transfer: the role of leader-member exchange (LMX) and structural empowerment.

PubMed

Davies, Alicia; Wong, Carol A; Laschinger, Heather

2011-07-01

The purpose of this study was to test Kanter's theory by examining relationships among structural empowerment, leader-member exchange (LMX) quality and nurses' participation in personal knowledge transfer activities. Despite the current emphasis on evidence-based practice in health care, research suggests that implementation of research findings in everyday clinical practice is unsystematic at best with mixed outcomes. This study was a secondary analysis of data collected using a non-experimental, predictive mailed survey design. A random sample of 400 registered nurses who worked in urban tertiary care hospitals in Ontario yielded a final sample of 234 for a 58.5% response rate. Hierarchical multiple linear regression analysis revealed that the combination of LMX and structural empowerment accounted for 9.1% of the variance in personal knowledge transfer but only total empowerment was a significant independent predictor of knowledge transfer (β=0.291, t=4.012, P<0.001). Consistent with Kanter's Theory, higher levels of empowerment and leader-member exchange quality resulted in increased participation in personal knowledge transfer in practice. The results reinforce the pivotal role of nurse managers in supporting empowering work environments that are conducive to transfer of knowledge in practice to provide evidence-based care. © 2011 The Authors. Journal compilation © 2011 Blackwell Publishing Ltd.

Theoretical insights of proton transfer and hydrogen bonded charge transfer complex of 1,2-dimethylimidazolium-3,5-dinitrobenzoate crystal

NASA Astrophysics Data System (ADS)

Afroz, Ziya; Faizan, Mohd.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Afaq

2018-04-01

Proton transfer (PT) and hydrogen bonded charge transfer (HBCT) 1:1 complex of 1,2-dimethylimidazole (DMI) and 3,5-dinitrobenzoic acid (DNBA) have been theoretically analyzed and compared with reported experimental results. Both the structures in the isolated gaseous state have been optimized at DFT/B3LYP/6-311G(d,p) level of theory and further, the PT energy barrier has been calculated from potential energy surface scan. Along with structural investigations, theoretical vibrational spectra have been inspected and compared with the FTIR spectrum. Moreover, frontier molecular analysis has also been carried out.

Mexican and Mexican American Student Reflections on Transfer: Institutional Agents and the Continued Role of the Community College

ERIC Educational Resources Information Center

Cortez, Edén; Castro, Erin L.

2017-01-01

This qualitative analysis draws upon the experiences of six Mexican and Mexican American community college transfer students during the 2012-2013 academic year. Relying on literature regarding institutional agents, we examine students' reflections regarding pre- and post-transfer support from both institutional agents and structured student…

Vibronic Wavepackets and Energy Transfer in Cryptophyte Light-Harvesting Complexes.

PubMed

Jumper, Chanelle C; van Stokkum, Ivo H M; Mirkovic, Tihana; Scholes, Gregory D

2018-06-21

Determining the key features of high-efficiency photosynthetic energy transfer remains an ongoing task. Recently, there has been evidence for the role of vibronic coherence in linking donor and acceptor states to redistribute oscillator strength for enhanced energy transfer. To gain further insights into the interplay between vibronic wavepackets and energy-transfer dynamics, we systematically compare four structurally related phycobiliproteins from cryptophyte algae by broad-band pump-probe spectroscopy and extend a parametric model based on global analysis to include vibrational wavepacket characterization. The four phycobiliproteins isolated from cryptophyte algae are two "open" structures and two "closed" structures. The closed structures exhibit strong exciton coupling in the central dimer. The dominant energy-transfer pathway occurs on the subpicosecond timescale across the largest energy gap in each of the proteins, from central to peripheral chromophores. All proteins exhibit a strong 1585 cm -1 coherent oscillation whose relative amplitude, a measure of vibronic intensity borrowing from resonance between donor and acceptor states, scales with both energy-transfer rates and damping rates. Central exciton splitting may aid in bringing the vibronically linked donor and acceptor states into better resonance resulting in the observed doubled rate in the closed structures. Several excited-state vibrational wavepackets persist on timescales relevant to energy transfer, highlighting the importance of further investigation of the interplay between electronic coupling and nuclear degrees of freedom in studies on high-efficiency photosynthesis.

Do pattern recognition skills transfer across sports? A preliminary analysis.

PubMed

Smeeton, Nicholas J; Ward, Paul; Williams, A Mark

2004-02-01

The ability to recognize patterns of play is fundamental to performance in team sports. While typically assumed to be domain-specific, pattern recognition skills may transfer from one sport to another if similarities exist in the perceptual features and their relations and/or the strategies used to encode and retrieve relevant information. A transfer paradigm was employed to compare skilled and less skilled soccer, field hockey and volleyball players' pattern recognition skills. Participants viewed structured and unstructured action sequences from each sport, half of which were randomly represented with clips not previously seen. The task was to identify previously viewed action sequences quickly and accurately. Transfer of pattern recognition skill was dependent on the participant's skill, sport practised, nature of the task and degree of structure. The skilled soccer and hockey players were quicker than the skilled volleyball players at recognizing structured soccer and hockey action sequences. Performance differences were not observed on the structured volleyball trials between the skilled soccer, field hockey and volleyball players. The skilled field hockey and soccer players were able to transfer perceptual information or strategies between their respective sports. The less skilled participants' results were less clear. Implications for domain-specific expertise, transfer and diversity across domains are discussed.

Radiation Heat Transfer Between Diffuse-Gray Surfaces Using Higher Order Finite Elements

NASA Technical Reports Server (NTRS)

Gould, Dana C.

2000-01-01

This paper presents recent work on developing methods for analyzing radiation heat transfer between diffuse-gray surfaces using p-version finite elements. The work was motivated by a thermal analysis of a High Speed Civil Transport (HSCT) wing structure which showed the importance of radiation heat transfer throughout the structure. The analysis also showed that refining the finite element mesh to accurately capture the temperature distribution on the internal structure led to very large meshes with unacceptably long execution times. Traditional methods for calculating surface-to-surface radiation are based on assumptions that are not appropriate for p-version finite elements. Two methods for determining internal radiation heat transfer are developed for one and two-dimensional p-version finite elements. In the first method, higher-order elements are divided into a number of sub-elements. Traditional methods are used to determine radiation heat flux along each sub-element and then mapped back to the parent element. In the second method, the radiation heat transfer equations are numerically integrated over the higher-order element. Comparisons with analytical solutions show that the integration scheme is generally more accurate than the sub-element method. Comparison to results from traditional finite elements shows that significant reduction in the number of elements in the mesh is possible using higher-order (p-version) finite elements.

Interaction-component analysis of the effects of urea and its alkylated derivatives on the structure of T4-lysozyme

NASA Astrophysics Data System (ADS)

Yamamori, Yu; Matubayasi, Nobuyuki

2017-06-01

The effects of urea and its alkylated derivatives on the structure of T4-lysozyme were analyzed from the standpoint of energetics. Molecular dynamics simulations were conducted with explicit solvent, and the energy-representation method was employed to compute the free energy of transfer of the protein from pure-water solvent to the mixed solvents of water with urea, methylurea, 1,1-dimethylurea, and isopropylurea. Through the decomposition of the transfer free energy into the cosolvent and water contributions, it was observed that the former is partially cancelled by the latter and governs the total free energy of transfer. To determine the interaction component responsible for the transfer energetics, the correlations of the transfer free energy were also examined against the change in the solute-solvent interaction energy upon transfer and the corresponding changes in the electrostatic, van der Waals, and excluded-volume components. It was then found over the set of protein structures ranging from native to (partially) unfolded ones that the transfer free energy changes in parallel with the van der Waals component even when the cosolvent is alkylated. The electrostatic and excluded-volume components play minor roles in the structure modification of the protein, and the denaturing ability of alkylurea is brought by the van der Waals interaction.

A master manipulator with a remote-center-of-motion kinematic structure for a minimally invasive robotic surgical system.

PubMed

Lee, Hyunyoung; Cheon, Byungsik; Hwang, Minho; Kang, Donghoon; Kwon, Dong-Soo

2018-02-01

In robotic surgical systems, commercial master devices have limitations owing to insufficient workspace and lack of intuitiveness. To overcome these limitations, a remote-center-of-motion (RCM) master manipulator was proposed. The feasibility of the proposed RCM structure was evaluated through kinematic analysis using a conventional serial structure. Two performance comparison experiments (peg transfer task and objective transfer task) were conducted for the developed master and Phantom Omni. The kinematic analysis results showed that compared with the serial structure, the proposed RCM structure has better performance in terms of design efficiency (19%) and workspace quality (59.08%). Further, in comparison with Phantom Omni, the developed master significantly increased task efficiency and significantly decreased workload in both experiments. The comparatively better performance in terms of intuitiveness, design efficiency, and operability of the proposed master for a robotic system for minimally invasive surgery was confirmed through kinematic and experimental analysis. Copyright © 2017 John Wiley & Sons, Ltd.

Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.

PubMed

Krishnaswamy, Shobhana; Shashidhar, Mysore S

2018-04-06

Intermolecular acyl transfer reactivity in several molecular crystals was studied, and the outcome of the reactivity was analyzed in the light of structural information obtained from the crystals of the reactants. Minor changes in the molecular structure resulted in significant variations in the noncovalent interactions and packing of molecules in the crystal lattice, which drastically affected the facility of the intermolecular acyl transfer reactivity in these crystals. Analysis of the reactivity vs crystal structure data revealed dependence of the reactivity on electrophile···nucleophile interactions and C-H···π interactions between the reacting molecules. The presence of these noncovalent interactions augmented the acyl transfer reactivity, while their absence hindered the reactivity of the molecules in the crystal. The validity of these correlations allows the prediction of intermolecular acyl transfer reactivity in crystals and co-crystals of unknown reactivity. This crystal structure-reactivity correlation parallels the molecular structure-reactivity correlation in solution-state reactions, widely accepted as organic functional group transformations, and sets the stage for the development of a similar approach for reactions in the solid state.

Analysis of Yb3+/Er3+-codoped microring resonator cross-grid matrices

NASA Astrophysics Data System (ADS)

Vallés, Juan A.; Gǎlǎtuş, Ramona

2014-09-01

An analytic model of the scattering response of a highly Yb3+/Er3+-codoped phosphate glass microring resonator matrix is considered to obtain the transfer functions of an M x N cross-grid microring resonator structure. Then a detailed model is used to calculate the pump and signal propagation, including a microscopic statistical formalism to describe the high-concentration induced energy-transfer mechanisms and passive and active features are combined to realistically simulate the performance as a wavelength-selective amplifier or laser. This analysis allows the optimization of these structures for telecom or sensing applications.

Probing the dynamic interface between trimethylamine dehydrogenase (TMADH) and electron transferring flavoprotein (ETF) in the TMADH-2ETF complex: role of the Arg-alpha237 (ETF) and Tyr-442 (TMADH) residue pair.

PubMed

Burgess, Selena G; Messiha, Hanan Latif; Katona, Gergely; Rigby, Stephen E J; Leys, David; Scrutton, Nigel S

2008-05-06

We have used multiple solution state techniques and crystallographic analysis to investigate the importance of a putative transient interaction formed between Arg-alpha237 in electron transferring flavoprotein (ETF) and Tyr-442 in trimethylamine dehydrogenase (TMADH) in complex assembly, electron transfer, and structural imprinting of ETF by TMADH. We have isolated four mutant forms of ETF altered in the identity of the residue at position 237 (alphaR237A, alphaR237K, alphaR237C, and alphaR237E) and with each form studied electron transfer from TMADH to ETF, investigated the reduction potentials of the bound ETF cofactor, and analyzed complex formation. We show that mutation of Arg-alpha237 substantially destabilizes the semiquinone couple of the bound FAD and impedes electron transfer from TMADH to ETF. Crystallographic structures of the mutant ETF proteins indicate that mutation does not perturb the overall structure of ETF, but leads to disruption of an electrostatic network at an ETF domain boundary that likely affects the dynamic properties of ETF in the crystal and in solution. We show that Arg-alpha237 is required for TMADH to structurally imprint the as-purified semiquinone form of wild-type ETF and that the ability of TMADH to facilitate this structural reorganization is lost following (i) redox cycling of ETF, or simple conversion to the oxidized form, and (ii) mutagenesis of Arg-alpha237. We discuss this result in light of recent apparent conflict in the literature relating to the structural imprinting of wild-type ETF. Our studies support a mechanism of electron transfer by conformational sampling as advanced from our previous analysis of the crystal structure of the TMADH-2ETF complex [Leys, D. , Basran, J. , Sutcliffe, M. J., and Scrutton, N. S. (2003) Nature Struct. Biol. 10, 219-225] and point to a key role for the Tyr-442 (TMADH) and Arg-alpha237 (ETF) residue pair in transiently stabilizing productive electron transfer configurations. Our work also points to the importance of Arg-alpha237 in controlling the thermodynamics of electron transfer, the dynamics of ETF, and the protection of reducing equivalents following disassembly of the TMADH-2ETF complex.

Development of a hybrid wave based-transfer matrix model for sound transmission analysis.

PubMed

Dijckmans, A; Vermeir, G

2013-04-01

In this paper, a hybrid wave based-transfer matrix model is presented that allows for the investigation of the sound transmission through finite multilayered structures placed between two reverberant rooms. The multilayered structure may consist of an arbitrary configuration of fluid, elastic, or poro-elastic layers. The field variables (structural displacements and sound pressures) are expanded in terms of structural and acoustic wave functions. The boundary and continuity conditions in the rooms determine the participation factors in the pressure expansions. The displacement of the multilayered structure is determined by the mechanical impedance matrix, which gives a relation between the pressures and transverse displacements at both sides of the structure. The elements of this matrix are calculated with the transfer matrix method. First, the hybrid model is numerically validated. Next a comparison is made with sound transmission loss measurements of a hollow brick wall and a sandwich panel. Finally, numerical simulations show the influence of structural damping, room dimensions and plate dimensions on the sound transmission loss of multilayered structures.

Unsteady-State Heat Transfer Involving a Phase Change: An Example of a 'Project-Oriented' Undergraduate Laboratory.

ERIC Educational Resources Information Center

Sundberg, Donald C.; Someshwar, Arun V.

1989-01-01

Describes the structure of an in-depth laboratory project chemical engineering. Provides modeling work to guide experimentation and experimental work on heat transfer analysis. Discusses the experimental results and evaluation of the project. (YP)

Transfer in Pieces

ERIC Educational Resources Information Center

Wagner, Joseph F.

2006-01-01

The theoretical perspective outlined here offers an alternative to explanations of knowledge transfer that posit its source in the construction and application of abstract, context-independent knowledge structures. A case study analysis of an undergraduate student's attempt to solve a series of problems related to an elementary statistical…

Lossless droplet transfer of droplet-based microfluidic analysis

DOEpatents

Kelly, Ryan T [West Richland, WA; Tang, Keqi [Richland, WA; Page, Jason S [Kennewick, WA; Smith, Richard D [Richland, WA

2011-11-22

A transfer structure for droplet-based microfluidic analysis is characterized by a first conduit containing a first stream having at least one immiscible droplet of aqueous material and a second conduit containing a second stream comprising an aqueous fluid. The interface between the first conduit and the second conduit can define a plurality of apertures, wherein the apertures are sized to prevent exchange of the first and second streams between conduits while allowing lossless transfer of droplets from the first conduit to the second conduit through contact between the first and second streams.

An Information Transmission Measure for the Analysis of Effective Connectivity among Cortical Neurons

PubMed Central

Law, Andrew J.; Sharma, Gaurav; Schieber, Marc H.

2014-01-01

We present a methodology for detecting effective connections between simultaneously recorded neurons using an information transmission measure to identify the presence and direction of information flow from one neuron to another. Using simulated and experimentally-measured data, we evaluate the performance of our proposed method and compare it to the traditional transfer entropy approach. In simulations, our measure of information transmission outperforms transfer entropy in identifying the effective connectivity structure of a neuron ensemble. For experimentally recorded data, where ground truth is unavailable, the proposed method also yields a more plausible connectivity structure than transfer entropy. PMID:21096617

Three-dimensional tertiary structure of yeast phenylalanine transfer RNA

NASA Technical Reports Server (NTRS)

Kim, S. H.; Sussman, J. L.; Suddath, F. L.; Quigley, G. J.; Mcpherson, A.; Wang, A. H. J.; Seeman, N. C.; Rich, A.

1974-01-01

Results of an analysis and interpretation of a 3-A electron density map of yeast phenylalanine transfer RNA. Some earlier detailed assignments of nucleotide residues to electron density peaks are found to be in error, even though the overall tracing of the backbone conformation of yeast phenylalanine transfer RNA was generally correct. A new, more comprehensive interpretation is made which makes it possible to define the tertiary interactions in the molecule. The new interpretation makes it possible to visualize a number of tertiary interactions which not only explain the structural role of most of the bases which are constant in transfer RNAs, but also makes it possible to understand in a direct and simple fashion the chemical modification data on transfer RNA. In addition, this pattern of tertiary interactions provides a basis for understanding the general three-dimensional folding of all transfer RNA molecules.

Methods for heat transfer and temperature field analysis of the insulated diesel, phase 3

NASA Technical Reports Server (NTRS)

Morel, Thomas; Wahiduzzaman, Syed; Fort, Edward F.; Keribar, Rifat; Blumberg, Paul N.

1988-01-01

Work during Phase 3 of a program aimed at developing a comprehensive heat transfer and thermal analysis methodology for design analysis of insulated diesel engines is described. The overall program addresses all the key heat transfer issues: (1) spatially and time-resolved convective and radiative in-cylinder heat transfer, (2) steady-state conduction in the overall structure, and (3) cyclical and load/speed temperature transients in the engine structure. These are all accounted for in a coupled way together with cycle thermodynamics. This methodology was developed during Phases 1 and 2. During Phase 3, an experimental program was carried out to obtain data on heat transfer under cooled and insulated engine conditions and also to generate a database to validate the developed methodology. A single cylinder Cummins diesel engine was instrumented for instantaneous total heat flux and heat radiation measurements. Data were acquired over a wide range of operating conditions in two engine configurations. One was a cooled baseline. The other included ceramic coated components (0.050 inches plasma sprayed zirconia)-piston, head and valves. The experiments showed that the insulated engine has a smaller heat flux than the cooled one. The model predictions were found to be in very good agreement with the data.

Application of numerical methods to heat transfer and thermal stress analysis of aerospace vehicles

NASA Technical Reports Server (NTRS)

Wieting, A. R.

1979-01-01

The paper describes a thermal-structural design analysis study of a fuel-injection strut for a hydrogen-cooled scramjet engine for a supersonic transport, utilizing finite-element methodology. Applications of finite-element and finite-difference codes to the thermal-structural design-analysis of space transports and structures are discussed. The interaction between the thermal and structural analyses has led to development of finite-element thermal methodology to improve the integration between these two disciplines. The integrated thermal-structural analysis capability developed within the framework of a computer code is outlined.

Design and analysis of multifunctional structures for embedded electronics in unmanned aerial vehicles

NASA Astrophysics Data System (ADS)

Kothari, Rushabh M.

Multifunctional structures are a new trend in the aerospace industry for the next generation structural design. Many future structures are expected to be something in addition to a load bearing structure. The design and analysis of multifunctional structures combining structural, electrical and thermal functionalities are presented here. The sandwich beam is considered as a starting point for the load bearing structure and then it is modified with a cavity to embed avionics and thermal controls. The embedded avionics inside the load bearing structure would allow weight reduction of the aerospace vehicle due to elimination of separate electronics housing, interconnects, cables etc. The cavity reduces strength of the structure so various reinforcements methods are evaluated. The result of various reinforcements and their effectiveness are presented. The current generation of electronics produce massive amount of heat. In the case of embedded electronics, the excessive heat presents a major challenge to the structural and heat transfer engineers. The embedded nature of electronics prevents the use of the classical heat dissipative methods such as fans and high velocity air flows, etc. The integrated thermal control of the electronics has been designed using passive heat transfer device and highly optimized particulate composite thermal interface material (TIM). The TIMs are used to fill the air gaps and reduce contact resistance between two surfaces, such as electronics and heat dissipators. The efficiency of TIM directly affects the overall heat transfer ability of the integrated thermal control system. The effect of the particles at micron and nano scales are studied for the particulate composite TIM. The thermal boundary resistance study for the particulate composite TIM with nano silica particles is presented in this thesis. The FEA analysis is used to model thermal boundary resistance and compared with the theoretical micromechanics model. The heat pipes are chosen as a part of passive heat transfer device due to their durability and excellent thermal conductivities. The multifunctional system consisting of all above components is modeled for unmanned aerial vehicle (UAV) at subsonic air speeds to demonstrate the validity of the design.

Scientific Visualization to Study Flux Transfer Events at the Community Coordinated Modeling Center

NASA Technical Reports Server (NTRS)

Rastatter, Lutz; Kuznetsova, Maria M.; Sibeck, David G.; Berrios, David H.

2011-01-01

In this paper we present results of modeling of reconnection at the dayside magnetopause with subsequent development of flux transfer event signatures. The tools used include new methods that have been added to the suite of visualization methods that are used at the Community Coordinated Modeling Center (CCMC). Flux transfer events result from localized reconnection that connect magnetosheath magnetic field and plasma with magnetospheric fields and plasma and results in flux rope structures that span the dayside magnetopause. The onset of flux rope formation and the three-dimensional structure of flux ropes are studied as they have been modeled by high-resolution magnetohydrodynamic simulations of the dayside magnetosphere of the Earth. We show that flux transfer events are complex three-dimensional structures that require modern visualization and analysis techniques. Two suites of visualization methods are presented and we demonstrate the usefulness of those methods through the CCMC web site to the general science user.

Discrete Data Transfer Technique for Fluid-Structure Interaction

NASA Technical Reports Server (NTRS)

Samareh, Jamshid A.

2007-01-01

This paper presents a general three-dimensional algorithm for data transfer between dissimilar meshes. The algorithm is suitable for applications of fluid-structure interaction and other high-fidelity multidisciplinary analysis and optimization. Because the algorithm is independent of the mesh topology, we can treat structured and unstructured meshes in the same manner. The algorithm is fast and accurate for transfer of scalar or vector fields between dissimilar surface meshes. The algorithm is also applicable for the integration of a scalar field (e.g., coefficients of pressure) on one mesh and injection of the resulting vectors (e.g., force vectors) onto another mesh. The author has implemented the algorithm in a C++ computer code. This paper contains a complete formulation of the algorithm with a few selected results.

TAP 2: A finite element program for thermal analysis of convectively cooled structures

NASA Technical Reports Server (NTRS)

Thornton, E. A.

1980-01-01

A finite element computer program (TAP 2) for steady-state and transient thermal analyses of convectively cooled structures is presented. The program has a finite element library of six elements: two conduction/convection elements to model heat transfer in a solid, two convection elements to model heat transfer in a fluid, and two integrated conduction/convection elements to represent combined heat transfer in tubular and plate/fin fluid passages. Nonlinear thermal analysis due to temperature-dependent thermal parameters is performed using the Newton-Raphson iteration method. Transient analyses are performed using an implicit Crank-Nicolson time integration scheme with consistent or lumped capacitance matrices as an option. Program output includes nodal temperatures and element heat fluxes. Pressure drops in fluid passages may be computed as an option. User instructions and sample problems are presented in appendixes.

A reagent for safe and efficient diazo-transfer to primary amines: 2-azido-1,3-dimethylimidazolinium hexafluorophosphate.

PubMed

Kitamura, Mitsuru; Kato, So; Yano, Masakazu; Tashiro, Norifumi; Shiratake, Yuichiro; Sando, Mitsuyoshi; Okauchi, Tatsuo

2014-07-07

Organic azides were prepared from primary amines in high yields by a metal free diazo-transfer reaction using 2-azido-1,3-dimethylimidazolinium hexafluorophosphate (ADMP), which is safe and stable crystalline. The choice of base was important in the diazo-transfer reaction. In general, 4-(N,N-dimethyl)aminopyridine (DMAP) was efficient, but a stronger base such as alkylamine or DBU was more appropriate for the reaction of nucleophilic primary amines. X-ray single crystal structural analysis and geometry optimization using density functional theory (B3LYP/6-31G**) were conducted to study the ADMP structure, and the diazo-transfer reaction mechanism was explained with the help of the results of these analyses.

Industrial benefits and future expectations in materials and processes resulting from space technology

NASA Technical Reports Server (NTRS)

Meyer, J. D.

1977-01-01

Space technology transfer is discussed as applied to the field of materials science. Advances made in processing include improved computer techniques, and structural analysis. Technology transfer is shown to have an important impact potential in the overall productivity of the United States.

Modified Displacement Transfer Functions for Deformed Shape Predictions of Slender Curved Structures with Varying Curvatives

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran

2014-01-01

To eliminate the need to use finite-element modeling for structure shape predictions, a new method was invented. This method is to use the Displacement Transfer Functions to transform the measured surface strains into deflections for mapping out overall structural deformed shapes. The Displacement Transfer Functions are expressed in terms of rectilinearly distributed surface strains, and contain no material properties. This report is to apply the patented method to the shape predictions of non-symmetrically loaded slender curved structures with different curvatures up to a full circle. Because the measured surface strains are not available, finite-element analysis had to be used to analytically generate the surface strains. Previously formulated straight-beam Displacement Transfer Functions were modified by introducing the curvature-effect correction terms. Through single-point or dual-point collocations with finite-elementgenerated deflection curves, functional forms of the curvature-effect correction terms were empirically established. The resulting modified Displacement Transfer Functions can then provide quite accurate shape predictions. Also, the uniform straight-beam Displacement Transfer Function was applied to the shape predictions of a section-cut of a generic capsule (GC) outer curved sandwich wall. The resulting GC shape predictions are quite accurate in partial regions where the radius of curvature does not change sharply.

LH2 fuel tank design for SSTO

NASA Technical Reports Server (NTRS)

Wright, Geoff

1994-01-01

This report will discuss the design of a liquid hydrogen fuel tank constructed from composite materials. The focus of this report is to recommend a design for a fuel tank which will be able to withstand all static and dynamic forces during manned flight. Areas of study for the design include material selection, material structural analysis, heat transfer, thermal expansion, and liquid hydrogen diffusion. A structural analysis FORTRAN program was developed for analyzing the buckling and yield characteristics of the tank. A thermal analysis Excel spreadsheet was created to determine a specific material thickness which will minimize heat transfer through the wall of the tank. The total mass of the tank was determined by the combination of both structural and thermal analyses. The report concludes with the recommendation of a layered material tank construction. The designed system will include exterior insulation, combination of metal and organize composite matrices and honeycomb.

Raman investigation with group theoretical method on structural polymorphism of the nonlinear optical hexamine: p-nitrophenol cocrystals

NASA Astrophysics Data System (ADS)

Vijayalakshmi, S.; Kalyanaraman, S.; Ravindran, T. R.

2014-09-01

We have synthesized organic non-centrosymmetric cocrystals of 1:1 and 1:2 mole ratios of non-proton-transferred hexamine and p-nitrophenol complexes by using a slow evaporation method. The cocrystal with different stoichiometric variation gets crystallized into different crystallographic structures. The non-proton-transfer process of the complexes and the charge transfer (CT) interaction are established through Fourier transform infrared (FTIR) spectroscopy. The contribution of the water molecule in the 1:2 adduct is explained through FTIR analysis. The result has an important bearing in our present study. Existence of two different crystallographic structures (polymorphism) is confirmed by the lower frequency modes that appeared in Raman spectra. The variation in the Raman active modes at lower frequencies that arise on account of polymorphism is addressed through factor group analysis. From the UV-vis analysis, the interesting result of hyperchromic and hypochromic shifts being observed in the 1:1 and 1:2 adducts, respectively, supports the polymorphic behavior. On seeing the variation in properties, particularly nonlinear optical properties, the higher second harmonic generation (SHG) efficiency compared with KDP is observed by using the Kurtz-Perry method for both complexes.

Validation Tests of Fiber Optic Strain-Based Operational Shape and Load Measurements

NASA Technical Reports Server (NTRS)

Bakalyar, John A.; Jutte, Christine

2012-01-01

Aircraft design has been progressing toward reduced structural weight to improve fuel efficiency, increase performance, and reduce cost. Lightweight aircraft structures are more flexible than conventional designs and require new design considerations. Intelligent sensing allows for enhanced control and monitoring of aircraft, which enables increased structurally efficiency. The NASA Dryden Flight Research Center (DFRC) has developed an instrumentation system and analysis techniques that combine to make distributed structural measurements practical for lightweight vehicles. Dryden's Fiber Optic Strain Sensing (FOSS) technology enables a multitude of lightweight, distributed surface strain measurements. The analysis techniques, referred to as the Displacement Transfer Functions (DTF) and Load Transfer Functions (LTF), use surface strain values to calculate structural deflections and operational loads. The combined system is useful for real-time monitoring of aeroelastic structures, along with many other applications. This paper describes how the capabilities of the measurement system were demonstrated using subscale test articles that represent simple aircraft structures. Empirical FOSS strain data were used within the DTF to calculate the displacement of the article and within the LTF to calculate bending moments due to loads acting on the article. The results of the tests, accuracy of the measurements, and a sensitivity analysis are presented.

Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case.

PubMed

Guillot, Benoît; Jelsch, Christian; Podjarny, Alberto; Lecomte, Claude

2008-05-01

The valence electron density of the protein human aldose reductase was analyzed at 0.66 angstroms resolution. The methodological developments in the software MoPro to adapt standard charge-density techniques from small molecules to macromolecular structures are described. The deformation electron density visible in initial residual Fourier difference maps was significantly enhanced after high-order refinement. The protein structure was refined after transfer of the experimental library multipolar atom model (ELMAM). The effects on the crystallographic statistics, on the atomic thermal displacement parameters and on the structure stereochemistry are analyzed. Constrained refinements of the transferred valence populations Pval and multipoles Plm were performed against the X-ray diffraction data on a selected substructure of the protein with low thermal motion. The resulting charge densities are of good quality, especially for chemical groups with many copies present in the polypeptide chain. To check the effect of the starting point on the result of the constrained multipolar refinement, the same charge-density refinement strategy was applied but using an initial neutral spherical atom model, i.e. without transfer from the ELMAM library. The best starting point for a protein multipolar refinement is the structure with the electron density transferred from the database. This can be assessed by the crystallographic statistical indices, including Rfree, and the quality of the static deformation electron-density maps, notably on the oxygen electron lone pairs. The analysis of the main-chain bond lengths suggests that stereochemical dictionaries would benefit from a revision based on recently determined unrestrained atomic resolution protein structures.

A simplified method of evaluating the stress wave environment of internal equipment

NASA Technical Reports Server (NTRS)

Colton, J. D.; Desmond, T. P.

1979-01-01

A simplified method called the transfer function technique (TFT) was devised for evaluating the stress wave environment in a structure containing internal equipment. The TFT consists of following the initial in-plane stress wave that propagates through a structure subjected to a dynamic load and characterizing how the wave is altered as it is transmitted through intersections of structural members. As a basis for evaluating the TFT, impact experiments and detailed stress wave analyses were performed for structures with two or three, or more members. Transfer functions that relate the wave transmitted through an intersection to the incident wave were deduced from the predicted wave response. By sequentially applying these transfer functions to a structure with several intersections, it was found that the environment produced by the initial stress wave propagating through the structure can be approximated well. The TFT can be used as a design tool or as an analytical tool to determine whether a more detailed wave analysis is warranted.

Cross-genera transferability of rice and finger millet genomic SSRs to barnyard millet (Echinochloa spp.).

PubMed

Kalyana Babu, B; Sood, Salej; Kumar, Dinesh; Joshi, Anjeli; Pattanayak, A; Kant, Lakshmi; Upadhyaya, H D

2018-02-01

Barnyard millet ( Echinochloa spp.) is an important crop from nutritional point of view, nevertheless, the genetic information is very scarce. In the present investigation, rice and finger millet genomic SSRs were used for assessing cross transferability, identification of polymorphic markers, syntenic regions, genetic diversity and population structure analysis of barnyard millet genotypes. We observed 100% cross transferability for finger millet SSRs, of which 91% were polymorphic, while 71% of rice markers were cross transferable with 48% polymorphic out of them. Twenty-nine and sixteen highly polymorphic finger millet and rice SSRs yielded a mean of 4.3 and 3.38 alleles per locus in barnyard millet genotypes, respectively. The PIC values varied from 0.27 to 0.73 at an average of 0.54 for finger millet SSRs, whereas it was from 0.15 to 0.67 at an average of 0.44 for rice SSRs. High synteny was observed for markers related to panicle length, yield-related traits, spikelet fertility, plant height, root traits, leaf senescence, blast and brown plant hopper resistance. Although the rice SSRs located on chromosome 10 followed by chromosome 6 and 11 were found to be more transferable to barnyard millet, the finger millet SSRs were more polymorphic and transferable to barnyard millet genotypes. These SSR data of finger millet and rice individually as well as combined together grouped the 11 barnyard millet genotypes into 2 major clusters. The results of population structure analysis were similar to cluster analysis.

Transfer of Training: Adding Insight through Social Network Analysis

ERIC Educational Resources Information Center

Van den Bossche, Piet; Segers, Mien

2013-01-01

This article reviews studies which apply a social network perspective to examine transfer of training. The theory behind social networks focuses on the interpersonal mechanisms and social structures that exist among interacting units such as people within an organization. A premise of this perspective is that individual's behaviors and outcomes…

Modal density of rectangular structures in a wide frequency range

NASA Astrophysics Data System (ADS)

Parrinello, A.; Ghiringhelli, G. L.

2018-04-01

A novel approach to investigate the modal density of a rectangular structure in a wide frequency range is presented. First, the modal density is derived, in the whole frequency range of interest, on the basis of sound transmission through the infinite counterpart of the structure; then, it is corrected by means of the low-frequency modal behavior of the structure, taking into account actual size and boundary conditions. A statistical analysis reveals the connection between the modal density of the structure and the transmission of sound through its thickness. A transfer matrix approach is used to compute the required acoustic parameters, making it possible to deal with structures having arbitrary stratifications of different layers. A finite element method is applied on coarse grids to derive the first few eigenfrequencies required to correct the modal density. Both the transfer matrix approach and the coarse grids involved in the finite element analysis grant high efficiency. Comparison with alternative formulations demonstrates the effectiveness of the proposed methodology.

Educational Transfer as Transformation: A Case Study about the Emergence and Implementation of Dual Apprenticeship Structures in a German Automotive Transplant in the United States

ERIC Educational Resources Information Center

Gessler, Michael

2017-01-01

The apprenticeship system in Germany is carried out both by companies and vocational schools (the Dual System). The question of whether the German Dual System is transferable is currently being asked in vocational education and training research. The analysis of current transfer discourses alludes to a research desideratum: the actual approaches…

Influence of modes of metal transfer on grain structure and direction of grain growth in low nickel austenitic stainless steel weld metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukherjee, Manidipto; Saha, Saptarshi; Pal, Tapan Kumar, E-mail: tkpal.ju@gmail.com

2015-04-15

The present study elaborately discussed the effect of different modes of metal transfer (i.e., short circuit mode, spray mode and pulse mode) on grain structure and direction of grain growth in low nickel austenitic stainless steel weld metals. Electron backscattered diffraction (EBSD) analysis was used to study the grain growth direction and grain structure in weld metals. The changes in grain structure and grain growth direction were found to be essentially varied with the weld pool shape and acting forces induced by modes of metal transfer at a constant welding speed. Short circuit mode of metal transfer owing to highermore » Marangoni force (M{sub a}) and low electromagnetic force (R{sub m}) promotes the lower weld pool volume (Γ) and higher weld pool maximum radius (r{sub m}). Short circuit mode also shows curved and tapered columnar grain structures and the grain growth preferentially occurred in <001> direction. In contrast, spray mode of metal transfer increases the Γ and reduces the r{sub m} values due to very high R{sub m} and typically reveals straight and broad columnar grain structures with preferential growth direction in <111>. In the pulse mode of metal transfer relatively high M{sub a} and R{sub m} simultaneously increase the weld pool width and the primary penetration which might encourage relatively complex grain growth directions in the weld pool and cause a shift of major intensity from <001> to <111> direction. It can also be concluded that the fusion zone grain structure and direction of grain growth are solely dependent on modes of metal transfer and remain constant for a particular mode of metal transfer irrespective of filler wire used. - Highlights: • Welded joints of LNiASS were prepared by varying modes of metal transfer. • Weld pool shape, grain structure and grain growth direction were studied. • Short circuit mode shows curved and tapered grain growth in <001> direction. • Spray mode shows straight and broad columnar grain growth in <111> direction. • Pulse mode shows complex grain growth with a shift in growth direction.« less

Engine Structures Modeling Software System (ESMOSS)

NASA Technical Reports Server (NTRS)

1991-01-01

Engine Structures Modeling Software System (ESMOSS) is the development of a specialized software system for the construction of geometric descriptive and discrete analytical models of engine parts, components, and substructures which can be transferred to finite element analysis programs such as NASTRAN. The NASA Lewis Engine Structures Program is concerned with the development of technology for the rational structural design and analysis of advanced gas turbine engines with emphasis on advanced structural analysis, structural dynamics, structural aspects of aeroelasticity, and life prediction. Fundamental and common to all of these developments is the need for geometric and analytical model descriptions at various engine assembly levels which are generated using ESMOSS.

Application of integrated fluid-thermal-structural analysis methods

NASA Technical Reports Server (NTRS)

Wieting, Allan R.; Dechaumphai, Pramote; Bey, Kim S.; Thornton, Earl A.; Morgan, Ken

1988-01-01

Hypersonic vehicles operate in a hostile aerothermal environment which has a significant impact on their aerothermostructural performance. Significant coupling occurs between the aerodynamic flow field, structural heat transfer, and structural response creating a multidisciplinary interaction. Interfacing state-of-the-art disciplinary analysis methods is not efficient, hence interdisciplinary analysis methods integrated into a single aerothermostructural analyzer are needed. The NASA Langley Research Center is developing such methods in an analyzer called LIFTS (Langley Integrated Fluid-Thermal-Structural) analyzer. The evolution and status of LIFTS is reviewed and illustrated through applications.

FTIR Study of the Photoactivation Process of Xenopus (6-4) Photolyase†

PubMed Central

Yamada, Daichi; Zhang, Yu; Iwata, Tatsuya; Hitomi, Kenichi; Getzoff, Elizabeth D.; Kandori, Hideki

2012-01-01

Photolyases (PHRs) are blue-light activated DNA repair enzymes that maintain genetic integrity by reverting UV-induced photoproducts into normal bases. The FAD chromophore of PHRs has four different redox states: oxidized (FADox), anion radical (FAD•−), neutral radical (FADH•) and fully reduced (FADH−). We combined difference Fourier-transform infrared (FTIR) spectroscopy with UV-visible spectroscopy to study the detailed photoactivation process of Xenopus (6-4) PHR. Two photons produce the enzymatically active, fully reduced PHR from oxidized FAD: FADox is converted to semiquinone via light-induced one-electron and one-proton transfers, and then to FADH− by light-induced one-electron transfer. We successfully trapped FAD•− at 200 K, where electron transfer occurs, but proton transfer does not. UV-visible spectroscopy following 450-nm illumination of FADox at 277 K defined the FADH•/FADH− mixture and allowed calculation of difference FTIR spectra among the four redox states. The absence of a characteristic C=O stretching vibration indicated that the proton donor is not a protonated carboxylic acid. Structural changes in Trp and Tyr are suggested from UV-visible and FTIR analysis of FAD•− at 200 K. Spectral analysis of amide-I vibrations revealed structural perturbation of the protein’s β-sheet during initial electron transfer (FAD•− formation), transient increase in α-helicity during proton transfer (FADH• formation) and reversion to the initial amide-I signal following subsequent electron transfer (FADH− formation). Consequently, in (6-4) PHR, unlike cryptochrome-DASH, formation of enzymatically active FADH− did not perturb α-helicity. Protein structural changes in the photoactivation of (6-4) PHR are discussed on the basis of the present FTIR observations. PMID:22747528

Inner reorganization limiting electron transfer controlled hydrogen bonding: intra- vs. intermolecular effects.

PubMed

Martínez-González, Eduardo; Frontana, Carlos

2014-05-07

In this work, experimental evidence of the influence of the electron transfer kinetics during electron transfer controlled hydrogen bonding between anion radicals of metronidazole and ornidazole, derivatives of 5-nitro-imidazole, and 1,3-diethylurea as the hydrogen bond donor, is presented. Analysis of the variations of voltammetric EpIcvs. log KB[DH], where KB is the binding constant, allowed us to determine the values of the binding constant and also the electron transfer rate k, confirmed by experiments obtained at different scan rates. Electronic structure calculations at the BHandHLYP/6-311++G(2d,2p) level for metronidazole, including the solvent effect by the Cramer/Truhlar model, suggested that the minimum energy conformer is stabilized by intramolecular hydrogen bonding. In this structure, the inner reorganization energy, λi,j, contributes significantly (0.5 eV) to the total reorganization energy of electron transfer, thus leading to a diminishment of the experimental k.

Numerical modeling analysis of stress transfer modification concepts for deep longwall mines. Report of investigations/1995

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vandergrift, T.L.; Jude, C.V.

1995-12-31

This U.S. Bureau of Mines (USBM) report evaluates three stress-transfer-modification concepts for their potential in reducing longwall gate road stresses and closures. In each of the three concepts--packwalling, gob infilling, and entry filling--support structures are constructed on the headgate side of the panel parallel with or inby the face line. When the headgate becomes the tailgate of the adjacent panel, these structures are in place to accept stresses transferred from the mined-out panel. Using the USBM nonlinear boundary-element program MULSIM/NL, baseline models of typical longwall stress transfer behavior were developed for both intermediate depth and deep mining conditions. These modelsmore » were verified by comparing model results with field measurements and observations. The stress-transfer-modification concepts were then incorporated into the deep baseline model to quantify the effects of each concept on tailgate closure.« less

A new energy transfer model for turbulent free shear flow

NASA Technical Reports Server (NTRS)

Liou, William W.-W.

1992-01-01

A new model for the energy transfer mechanism in the large-scale turbulent kinetic energy equation is proposed. An estimate of the characteristic length scale of the energy containing large structures is obtained from the wavelength associated with the structures predicted by a weakly nonlinear analysis for turbulent free shear flows. With the inclusion of the proposed energy transfer model, the weakly nonlinear wave models for the turbulent large-scale structures are self-contained and are likely to be independent flow geometries. The model is tested against a plane mixing layer. Reasonably good agreement is achieved. Finally, it is shown by using the Liapunov function method, the balance between the production and the drainage of the kinetic energy of the turbulent large-scale structures is asymptotically stable as their amplitude saturates. The saturation of the wave amplitude provides an alternative indicator for flow self-similarity.

Determination of a refractive index and an extinction coefficient of standard production of CVD-graphene.

PubMed

Ochoa-Martínez, Efraín; Gabás, Mercedes; Barrutia, Laura; Pesquera, Amaia; Centeno, Alba; Palanco, Santiago; Zurutuza, Amaia; Algora, Carlos

2015-01-28

The refractive index and extinction coefficient of chemical vapour deposition grown graphene are determined by ellipsometry analysis. Graphene films were grown on copper substrates and transferred as both monolayers and bilayers onto SiO2/Si substrates by using standard manufacturing procedures. The chemical nature and thickness of residual debris formed after the transfer process were elucidated using photoelectron spectroscopy. The real layered structure so deduced has been used instead of the nominal one as the input in the ellipsometry analysis of monolayer and bilayer graphene, transferred onto both native and thermal silicon oxide. The effect of these contamination layers on the optical properties of the stacked structure is noticeable both in the visible and the ultraviolet spectral regions, thus masking the graphene optical response. Finally, the use of heat treatment under a nitrogen atmosphere of the graphene-based stacked structures, as a method to reduce the water content of the sample, and its effect on the optical response of both graphene and the residual debris layer are presented. The Lorentz-Drude model proposed for the optical response of graphene fits fairly well the experimental ellipsometric data for all the analysed graphene-based stacked structures.

Flow structure and heat exchange analysis in internal cooling channel of gas turbine blade

NASA Astrophysics Data System (ADS)

Szwaba, Ryszard; Kaczynski, Piotr; Doerffer, Piotr; Telega, Janusz

2016-08-01

This paper presents the study of the flow structure and heat transfer, and also their correlations on the four walls of a radial cooling passage model of a gas turbine blade. The investigations focus on heat transfer and aerodynamic measurements in the channel, which is an accurate representation of the configuration used in aeroengines. Correlations for the heat transfer coefficient and the pressure drop used in the design of radial cooling passages are often developed from simplified models. It is important to note that real engine passages do not have perfect rectangular cross sections, but include corner fillet, ribs with fillet radii and special orientation. Therefore, this work provides detailed fluid flow and heat transfer data for a model of radial cooling geometry which possesses very realistic features.

A method for transferring NASTRAN data between dissimilar computers. [application to CDC 6000 series, IBM 360-370 series, and Univac 1100 series computers

NASA Technical Reports Server (NTRS)

Rogers, J. L., Jr.

1973-01-01

The NASTRAN computer program is capable of executing on three different types of computers: (1) the CDC 6000 series, (2) the IBM 360-370 series, and (3) the Univac 1100 series. A typical activity requiring transfer of data between dissimilar computers is the analysis of a large structure such as the space shuttle by substructuring. Models of portions of the vehicle which have been analyzed by subcontractors using their computers must be integrated into a model of the complete structure by the prime contractor on his computer. Presently the transfer of NASTRAN matrices or tables between two different types of computers is accomplished by punched cards or a magnetic tape containing card images. These methods of data transfer do not satisfy the requirements for intercomputer data transfer associated with a substructuring activity. To provide a more satisfactory transfer of data, two new programs, RDUSER and WRTUSER, were created.

Dual-Use Space Technology Transfer Conference and Exhibition. Volume 2

NASA Technical Reports Server (NTRS)

Krishen, Kumar (Compiler)

1994-01-01

This is the second volume of papers presented at the Dual-Use Space Technology Transfer Conference and Exhibition held at the Johnson Space Center February 1-3, 1994. Possible technology transfers covered during the conference were in the areas of information access; innovative microwave and optical applications; materials and structures; marketing and barriers; intelligent systems; human factors and habitation; communications and data systems; business process and technology transfer; software engineering; biotechnology and advanced bioinstrumentation; communications signal processing and analysis; medical care; applications derived from control center data systems; human performance evaluation; technology transfer methods; mathematics, modeling, and simulation; propulsion; software analysis and decision tools; systems/processes in human support technology; networks, control centers, and distributed systems; power; rapid development; perception and vision technologies; integrated vehicle health management; automation technologies; advanced avionics; and robotics technologies.

Structure and Electronic Spectra of Purine-Methyl Viologen Charge Transfer Complexes

PubMed Central

Jalilov, Almaz S.; Patwardhan, Sameer; Singh, Arunoday; Simeon, Tomekia; Sarjeant, Amy A.; Schatz, George C.; Lewis, Frederick D.

2014-01-01

The structure and properties of the electron donor-acceptor complexes formed between methyl viologen (MV) and purine nucleosides and nucleotides in water and the solid state have been investigated using a combination of experimental and theoretical methods. Solution studies were performed using UV-vis and 1H NMR spectroscopy. Theoretical calculations were performed within the framework of density functional theory (DFT). Energy decomposition analysis indicates that dispersion and induction (charge-transfer) interactions dominate the total binding energy, whereas electrostatic interactions are largely repulsive. The appearance of charge transfer bands in the absorption spectra of the complexes are well described by time-dependent (TD) DFT and are further explained in terms of the redox properties of purine monomers and solvation effects. Crystal structures are reported for complexes of methyl viologen with the purines 2′-deoxyguanosine 3′-monophosphate GMP (DAD′DAD′ type) and 7-deazaguanosine zG (DAD′ADAD′ type). Comparison of the structures determined in the solid state and by theoretical methods in solution provides valuable insights into the nature of charge-transfer interactions involving purine bases as electron donors. PMID:24294996

Analysis of the status of pre-release cracks in prestressed concrete structures using long-gauge sensors

NASA Astrophysics Data System (ADS)

Abdel-Jaber, H.; Glisic, B.

2015-02-01

Prestressed structures experience limited tensile stresses in concrete, which limits or completely eliminates the occurrence of cracks. However, in some cases, large tensile stresses can develop during the early age of the concrete due to thermal gradients and shrinkage effects. Such stresses can cause early-age cracks, termed ‘pre-release cracks’, which occur prior to the transfer of the prestressing force. When the prestressing force is applied to the cross-section, it is assumed that partial or full closure of the cracks occurs by virtue of the force transfer through the cracked cross-section. Verification of the closure of the cracks after the application of the prestressing force is important as it can either confirm continued structural integrity or indicate and approximate reduced structural capacity. Structural health monitoring (SHM) can be used for this purpose. This paper researches an SHM method that can be applied to prestressed beam structures to assess the condition of pre-release cracks. The sensor network used in this method consists of parallel long-gauge fiber optic strain sensors embedded in the concrete cross-sections at various locations. The same network is used for damage detection, i.e. detection and characterization of the pre-release cracks, and for monitoring the prestress force transfer. The method is validated on a real structure, a curved continuous girder. Results from the analysis confirm the safety and integrity of the structure. The method and its application are presented in this paper.

Thermostructural Analysis of Unconventional Wing Structures of a Hyper-X Hypersonic Flight Research Vehicle for the Mach 7 Mission

NASA Technical Reports Server (NTRS)

Ko, William L.; Gong, Leslie

2001-01-01

Heat transfer, thermal stresses, and thermal buckling analyses were performed on the unconventional wing structures of a Hyper-X hypersonic flight research vehicle (designated as X-43) subjected to nominal Mach 7 aerodynamic heating. A wing midspan cross section was selected for the heat transfer and thermal stress analyses. Thermal buckling analysis was performed on three regions of the wing skin (lower or upper); 1) a fore wing panel, 2) an aft wing panel, and 3) a unit panel at the middle of the aft wing panel. A fourth thermal buckling analysis was performed on a midspan wing segment. The unit panel region is identified as the potential thermal buckling initiation zone. Therefore, thermal buckling analysis of the Hyper-X wing panels could be reduced to the thermal buckling analysis of that unit panel. "Buckling temperature magnification factors" were established. Structural temperature-time histories are presented. The results show that the concerns of shear failure at wing and spar welded sites, and of thermal buckling of Hyper-X wing panels, may not arise under Mach 7 conditions.

Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase.

PubMed

Wong, Kim F; Selzer, Tzvia; Benkovic, Stephen J; Hammes-Schiffer, Sharon

2005-05-10

A comprehensive analysis of the network of coupled motions correlated to hydride transfer in dihydrofolate reductase is presented. Hybrid quantum/classical molecular dynamics simulations are combined with a rank correlation analysis method to extract thermally averaged properties that vary along the collective reaction coordinate according to a prescribed target model. Coupled motions correlated to hydride transfer are identified throughout the enzyme. Calculations for wild-type dihydrofolate reductase and a triple mutant, along with the associated single and double mutants, indicate that each enzyme system samples a unique distribution of coupled motions correlated to hydride transfer. These coupled motions provide an explanation for the experimentally measured nonadditivity effects in the hydride transfer rates for these mutants. This analysis illustrates that mutations distal to the active site can introduce nonlocal structural perturbations and significantly impact the catalytic rate by altering the conformational motions of the entire enzyme and the probability of sampling conformations conducive to the catalyzed reaction.

Methods for heat transfer and temperature field analysis of the insulated diesel

NASA Technical Reports Server (NTRS)

Morel, T.; Blumberg, P. N.; Fort, E. F.; Keribar, R.

1984-01-01

Work done during phase 1 of a three-year program aimed at developing a comprehensive heat transfer and thermal analysis methodology oriented specifically to the design requirements of insulated diesel engines is reported. The technology developed in this program makes possible a quantitative analysis of the low heat rejection concept. The program is comprehensive in that it addresses all the heat transfer issues that are critical to the successful development of the low heat rejection diesel engine: (1) in-cylinder convective and radiative heat transfer; (2) cyclic transient heat transfer in thin solid layers at component surfaces adjacent to the combustion chamber; and (3) steady-state heat conduction in the overall engine structure. The Integral Technologies, Inc. (ITI) program is comprised of a set of integrated analytical and experimental tasks. A detailed review of the ITI program approach is provided, including the technical issues which underlie it and a summay of the methods that were developed.

Stochastic Consequence Analysis for Waste Leaks

DOE Office of Scientific and Technical Information (OSTI.GOV)

HEY, B.E.

This analysis evaluates the radiological consequences of potential Hanford Tank Farm waste transfer leaks. These include ex-tank leaks into structures, underneath the soil, and exposed to the atmosphere. It also includes potential misroutes, tank overflow

Electrostatic properties of the pyrimethamine-2,4-dihydroxybenzoic acid cocrystal in methanol studied using transferred electron-density parameters.

PubMed

Faroque, Muhammad Umer; Noureen, Sajida; Ahmed, Maqsood; Tahir, Muhammad Nawaz

2018-01-01

The crystal structure of the cocrystal salt form of the antimalarial drug pyrimethamine with 2,4-dihydroxybenzoic acid in methanol [systematic name: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dihydroxybenzoate methanol monosolvate, C 12 H 14 ClN 4 + ·C 7 H 5 O 4 - ·CH 3 OH] has been studied using X-ray diffraction data collected at room temperature. The crystal structure was refined using the classical Independent Atom Model (IAM) and the Multipolar Atom Model by transferring electron-density parameters from the ELMAM2 database. The Cl atom was refined anharmonically. The results of both refinement methods have been compared. The intermolecular interactions have been characterized on the basis of Hirshfeld surface analysis and topological analysis using Bader's theory of Atoms in Molecules. The results show that the molecular assembly is built primarily on the basis of charge transfer between 2,4-dihydroxybenzoic acid and pyrimethamine, which results in strong intermolecular hydrogen bonds. This fact is further validated by the calculation of the electrostatic potential based on transferred electron-density parameters.

High-Power Piezoelectric Acoustic-Electric Power Feedthru for Metal Walls

NASA Technical Reports Server (NTRS)

Bao, Xiaoqi; Biederman, Will; Sherrit, Stewart; Badescu, Mircea; Bar-Cohen, Yoseph; Jones, Christopher; Aldrich, Jack; Chang, Zensheu

2008-01-01

Piezoelectric acoustic-electric power feed-through devices transfer electric power wirelessly through a solid wall by using acoustic waves. This approach allows for the removal of holes through structures. The technology is applicable to power supply for electric equipment inside sealed containers, vacuum or pressure vessels, etc where the holes on the wall are prohibitive or result in significant performance degrade or complex designs. In the author's previous work, 100-W electric power was transferred through a metal wall by a small, simple-structure piezoelectric device. To meet requirements of higher power applications, the feasibility to transfer kilowatts level power was investigated. Pre-stressed longitudinal piezoelectric feedthru devices were analyzed by finite element model. An equivalent circuit model was developed to predict the power transfer characteristics to different electric loads. Based on the analysis results, a prototype device was designed, fabricated and a demonstration of the transmission of electric power up to 1-kW was successfully conducted. The methods to minimize the plate wave excitation on the wall were also analyzed. Both model analysis and experimental results are presented in detail in this presentation.

Broadband Structural Dynamics: Understanding the Impulse-Response of Structures Across Multiple Length and Time Scales

DTIC Science & Technology

2010-08-18

Spectral domain response calculated • Time domain response obtained through inverse transform Approach 4: WASABI Wavelet Analysis of Structural Anomalies...differences at unity scale! Time Function Transform Apply Spectral Domain Transfer Function Time Function Inverse Transform Transform Transform  mtP

Smooth information flow in temperature climate network reflects mass transport

NASA Astrophysics Data System (ADS)

Hlinka, Jaroslav; Jajcay, Nikola; Hartman, David; Paluš, Milan

2017-03-01

A directed climate network is constructed by Granger causality analysis of air temperature time series from a regular grid covering the whole Earth. Using winner-takes-all network thresholding approach, a structure of a smooth information flow is revealed, hidden to previous studies. The relevance of this observation is confirmed by comparison with the air mass transfer defined by the wind field. Their close relation illustrates that although the information transferred due to the causal influence is not a physical quantity, the information transfer is tied to the transfer of mass and energy.

Multilayer solar cell waveguide structures containing metamaterials

NASA Astrophysics Data System (ADS)

Hamouche, Houria.; Shabat, Mohammed. M.; Schaadt, Daniel M.

2017-01-01

Multilayer antireflection coating structures made from silicon and metamaterials are designed and investigated using the Transfer Matrix Method (TMM). The Transfer Matrix Method is a very useful algorithm for the analysis of periodic structures. We investigate in this paper two anti-reflection coating structures for silicon solar cells with a metamaterial film layer. In the first structure, the metamaterial film layer is sandwiched between a semi-infinite glass cover layer and a semi-infinite silicon substrate layer. The second structure consists of a four layers, a pair of metamaterial-dielectric layer with opposite real part of refractive indices, is placed between the two semi-infinite cover and substrate. We have simulated the absorptivity property of the structures for adjustable thicknesses by using MAPLE software. The absorptivity of the structures achieves greater than 80% for incident electromagnetic wave of transverse magnetic (TM) polarization.

Excitonic enhancement of nonradiative energy transfer to bulk silicon with the hybridization of cascaded quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yeltik, Aydan; Guzelturk, Burak; Akhavan, Shahab

2013-12-23

We report enhanced sensitization of silicon through nonradiative energy transfer (NRET) of the excitons in an energy-gradient structure composed of a cascaded bilayer of green- and red-emitting CdTe quantum dots (QDs) on bulk silicon. Here NRET dynamics were systematically investigated comparatively for the cascaded energy-gradient and mono-dispersed QD structures at room temperature. We show experimentally that NRET from the QD layer into silicon is enhanced by 40% in the case of an energy-gradient cascaded structure as compared to the mono-dispersed structures, which is in agreement with the theoretical analysis based on the excited state population-depopulation dynamics of the QDs.

Final analysis of proton form factor ratio data at Q2=4.0, 4.8, and 5.6 GeV2

NASA Astrophysics Data System (ADS)

Puckett, A. J. R.; Brash, E. J.; Gayou, O.; Jones, M. K.; Pentchev, L.; Perdrisat, C. F.; Punjabi, V.; Aniol, K. A.; Averett, T.; Benmokhtar, F.; Bertozzi, W.; Bimbot, L.; Calarco, J. R.; Cavata, C.; Chai, Z.; Chang, C.-C.; Chang, T.; Chen, J. P.; Chudakov, E.; De Leo, R.; Dieterich, S.; Endres, R.; Epstein, M. B.; Escoffier, S.; Fissum, K. G.; Fonvieille, H.; Frullani, S.; Gao, J.; Garibaldi, F.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Hansen, J.-O.; Higinbotham, D.; Huber, G. M.; Iodice, M.; de Jager, C. W.; Jiang, X.; Khandaker, M.; Kozlov, S.; Kramer, K. M.; Kumbartzki, G.; LeRose, J. J.; Lhuillier, D.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Margaziotis, D. J.; Marie, F.; Markowitz, P.; McCormick, K.; Michaels, R.; Milbrath, B. D.; Nanda, S. K.; Neyret, D.; Piskunov, N. M.; Ransome, R. D.; Raue, B. A.; Roché, R.; Rvachev, M.; Salgado, C.; Sirca, S.; Sitnik, I.; Strauch, S.; Todor, L.; Tomasi-Gustafsson, E.; Urciuoli, G. M.; Voskanyan, H.; Wijesooriya, K.; Wojtsekhowski, B. B.; Zheng, X.; Zhu, L.

2012-04-01

Precise measurements of the proton electromagnetic form factor ratio R=μpGEp/GMp using the polarization transfer method at Jefferson Lab have revolutionized the understanding of nucleon structure by revealing the strong decrease of R with momentum transfer Q2 for Q2≳1 GeV2, in strong disagreement with previous extractions of R from cross-section measurements. In particular, the polarization transfer results have exposed the limits of applicability of the one-photon-exchange approximation and highlighted the role of quark orbital angular momentum in the nucleon structure. The GEp-II experiment in Jefferson Lab's Hall A measured R at four Q2 values in the range 3.5GeV2≤Q2≤5.6GeV2. A possible discrepancy between the originally published GEp-II results and more recent measurements at higher Q2 motivated a new analysis of the GEp-II data. This article presents the final results of the GEp-II experiment, including details of the new analysis, an expanded description of the apparatus, and an overview of theoretical progress since the original publication. The key result of the final analysis is a systematic increase in the results for R, improving the consistency of the polarization transfer data in the high-Q2 region. This increase is the result of an improved selection of elastic events which largely removes the systematic effect of the inelastic contamination, underestimated by the original analysis.

Coherent flow structures and heat transfer in a duct with electromagnetic forcing

NASA Astrophysics Data System (ADS)

Himo, Rawad; Habchi, Charbel

2018-04-01

Coherent vortices are generated electromagnetically in a square duct flow. The vortices are induced by a Lorentz force applied in a small section near the entrance of the duct. The flow structure complexity increases with the electromagnetic forcing since the primary vortices propagating along the duct detach to generate secondary smaller streamwise vortices and hairpin-like structures. The Reynolds number based on the mean flow velocity and hydraulic diameter is 500, and five cases were studied by varying the electromagnetic forcing. Even though this Reynolds number is relatively low, a periodic sequence of hairpin-like structure flow was observed for the high forcing cases. This mechanism enhances the mixing process between the different flow regions resulting in an increase in the thermal performances which reaches 66% relative to the duct flow without forcing. In addition to the flow complexity, lower forcing cases remained steady, unlike high Lorentz forces that induced periodic instabilities with a Strouhal number around 0.59 for the transient eddies. The effect of the flow structure on the heat transfer is analyzed qualitatively and quantitatively using numerical simulations based on the finite volume method. Moreover, proper orthogonal decomposition (POD) analysis was performed on the flow structures to evaluate the most energetic modes contributing in the flow. It is found from the POD analysis that the primary streamwise vortices and hairpin legs are the flow structures that are the most contributing to the heat transfer process.

Theoretical Investigation of Charge Transfer in Metal Organic Frameworks for Electrochemical Device Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patwardhan, Sameer; Schatz, George C.

For electrochemical device applications metal organic frameworks (MOFs) must exhibit suitable conduction properties. To this end, we have performed computational studies of intermolecular charge transfer in MOFs consisting of hexa-ZrIV nodes and tetratopic carboxylate linkers. This includes an examination of the electronic structure of linkers that are derived from tetraphenyl benzene 1, tetraphenyl pyrene 2, and tetraphenyl porphyrin 3 molecules. These results are used to determine charge transfer propensities in MOFs, within the framework of Marcus theory, including an analysis of the key parameters (charge transfer integral t, reorganization energy λ, and free energy change ΔG0) and evaluation of figuresmore » of merit for charge transfer based on the chemical structures of the linkers. This qualitative analysis indicates that delocalization of the HOMO/LUMO on terminal substituents increases t and decreases λ, while weaker binding to counterions decreases ΔG0, leading to better charge transfer propensity. Subsequently, we study hole transfer in the linker 2 containing MOFs, NU-901 and NU-1000, in detail and describe mechanisms (hopping and superexchange) that may be operative under different electrochemical conditions. Comparisons with experiment are provided where available. On the basis of the redox and catalytic activity of nodes and linkers, we propose three possible schemes for constructing electrochemical devices for catalysis. We believe that the results of this study will lay the foundation for future experimental work on this topic.« less

AEROELASTIC SIMULATION TOOL FOR INFLATABLE BALLUTE AEROCAPTURE

NASA Technical Reports Server (NTRS)

Liever, P. A.; Sheta, E. F.; Habchi, S. D.

2006-01-01

A multidisciplinary analysis tool is under development for predicting the impact of aeroelastic effects on the functionality of inflatable ballute aeroassist vehicles in both the continuum and rarefied flow regimes. High-fidelity modules for continuum and rarefied aerodynamics, structural dynamics, heat transfer, and computational grid deformation are coupled in an integrated multi-physics, multi-disciplinary computing environment. This flexible and extensible approach allows the integration of state-of-the-art, stand-alone NASA and industry leading continuum and rarefied flow solvers and structural analysis codes into a computing environment in which the modules can run concurrently with synchronized data transfer. Coupled fluid-structure continuum flow demonstrations were conducted on a clamped ballute configuration. The feasibility of implementing a DSMC flow solver in the simulation framework was demonstrated, and loosely coupled rarefied flow aeroelastic demonstrations were performed. A NASA and industry technology survey identified CFD, DSMC and structural analysis codes capable of modeling non-linear shape and material response of thin-film inflated aeroshells. The simulation technology will find direct and immediate applications with NASA and industry in ongoing aerocapture technology development programs.

Analysis of the interface and data transfer from ICU to normal wards in a German University Hospital.

PubMed

Vollmer, Anne-Maria; Skonetzki-Cheng, Stefan; Prokosch, Hans-Ulrich

2013-01-01

Typically general wards and intensive care units (ICU) have very different labor organizations, structures and IT-systems in Germany. There is a need for coordination, because of the different working arrangements. Our team investigated the interface between ICU and general ward and especially the respective information transfer in the University hospital in Erlangen (Bavaria, Germany). The research team used a combination of interviews, observations and the analysis of transfer records and forms as part of a methodical triangulation. We identified 41 topics, which are discussed or presented in writing during the handover. In a second step, we investigate the requirements of data transmission in expert interviews. A data transfer concept from the perspective of the nurses and physicians was developed and we formulated recommendations for improvements of process and communication for this interface. Finally the data transfer concept was evaluated by the respondents.

Dual-Use Space Technology Transfer Conference and Exhibition. Volume 1

NASA Technical Reports Server (NTRS)

Krishen, Kumar (Compiler)

1994-01-01

This document contains papers presented at the Dual-Use Space Technology Transfer Conference and Exhibition held at the Johnson Space Center February 1-3, 1994. Possible technology transfers covered during the conference were in the areas of information access; innovative microwave and optical applications; materials and structures; marketing and barriers; intelligent systems; human factors and habitation; communications and data systems; business process and technology transfer; software engineering; biotechnology and advanced bioinstrumentation; communications signal processing and analysis; new ways of doing business; medical care; applications derived from control center data systems; human performance evaluation; technology transfer methods; mathematics, modeling, and simulation; propulsion; software analysis and decision tools systems/processes in human support technology; networks, control centers, and distributed systems; power; rapid development perception and vision technologies; integrated vehicle health management; automation technologies; advanced avionics; ans robotics technologies. More than 77 papers, 20 presentations, and 20 exhibits covering various disciplines were presented b experts from NASA, universities, and industry.

A synchronized particle image velocimetry and infrared thermography technique applied to an acoustic streaming flow

PubMed Central

Sou, In Mei; Layman, Christopher N.; Ray, Chittaranjan

2013-01-01

Subsurface coherent structures and surface temperatures are investigated using simultaneous measurements of particle image velocimetry (PIV) and infrared (IR) thermography. Results for coherent structures from acoustic streaming and associated heating transfer in a rectangular tank with an acoustic horn mounted horizontally at the sidewall are presented. An observed vortex pair develops and propagates in the direction along the centerline of the horn. From the PIV velocity field data, distinct kinematic regions are found with the Lagrangian coherent structure (LCS) method. The implications of this analysis with respect to heat transfer and related sonochemical applications are discussed. PMID:24347810

A novel x-ray detector design with higher DQE and reduced aliasing: Theoretical analysis of x-ray reabsoprtion in detector converter material

NASA Astrophysics Data System (ADS)

Nano, Tomi; Escartin, Terenz; Karim, Karim S.; Cunningham, Ian A.

2016-03-01

The ability to improve visualization of structural information in digital radiography without increasing radiation exposures requires improved image quality across all spatial frequencies, especially at high frequencies. The detective quantum efficiency (DQE) as a function of spatial frequency quantifies image quality given by an x-ray detector. We present a method of increasing DQE at high spatial frequencies by improving the modulation transfer function (MTF) and reducing noise aliasing. The Apodized Aperature Pixel (AAP) design uses a detector with micro-elements to synthesize desired pixels and provide higher DQE than conventional detector designs. A cascaded system analysis (CSA) that incorporates x-ray interactions is used for comparison of the theoretical MTF, noise power spectrum (NPS), and DQE. Signal and noise transfer through the converter material is shown to consist of correlated an uncorrelated terms. The AAP design was shown to improve the DQE of both material types that have predominantly correlated transfer (such as CsI) and predominantly uncorrelated transfer (such as Se). Improvement in the MTF by 50% and the DQE by 100% at the sampling cut-off frequency is obtained when uncorrelated transfer is prevalent through the converter material. Optimizing high-frequency DQE results in improved image contrast and visualization of small structures and fine-detail.

Christopher Chang | NREL

Science.gov Websites

transition metal systems, macromolecular dynamics, comparative chemical bonding analysis, electron transfer . Research Interests Dynamics and control on discrete structures, including excited-state transition metal

Stress Transfer and Structural Failure of Bilayered Material Systems

NASA Astrophysics Data System (ADS)

Prieto-Munoz, Pablo Arthur

Bilayered material systems are common in naturally formed or artificially engineered structures. Understanding how loads transfer within these structural systems is necessary to predict failure and develop effective designs. Existing methods for evaluating the stress transfer in bilayered materials are limited to overly simplified models or require experimental calibration. As a result, these methods have failed to accurately account for such structural failures as the creep induced roofing panel collapse of Boston's I-90 connector tunnel, which was supported by adhesive anchors. The one-dimensional stress analyses currently used for adhesive anchor design cannot account for viscoelastic creep failure, and consequently results in dangerously under-designed structural systems. In this dissertation, a method for determining the two-dimensional stress and displacement fields for a generalized bilayered material system is developed, and proposes a closed-form analytical solution. A general linear-elastic solution is first proposed by decoupling the elastic governing equations from one another through the so-called plane assumption. Based on this general solution, an axisymmetric problem and a plane strain problem are formulated. These are applied to common bilayered material systems such as: (1) concrete adhesive anchors, (2) material coatings, (3) asphalt pavements, and (4) layered sedimentary rocks. The stress and displacement fields determined by this analytical analysis are validated through the use of finite element models. Through the correspondence principle, the linear-elastic solution is extended to consider time-dependent viscoelastic material properties, thus facilitating the analysis of adhesive anchors and asphalt pavements while incorporating their viscoelastic material behavior. Furthermore, the elastic stress analysis can explain the fracturing phenomenon of material coatings, pavements, and layered rocks, successfully predicting their fracture saturation ratio---which is the ratio of fracture spacing to the thickness of the weak layer where an increase in load will not cause any new fractures to form. Moreover, these specific material systems are looked at in the context of existing and novel experimental results, further demonstrating the advantage of the stress transfer analysis proposed. This research provides a closed-form stress solution for various structural systems that is applied to different failure analyses. The versatility of this method is in the flexibility and the ease upon which the stress and displacement field results can be applied to existing stress- or displacement-based structural failure criteria. As presented, this analysis can be directly used to: (1) design adhesive anchoring systems for long-term creep loading, (2) evaluate the fracture mechanics behind bilayered material coatings and pavement overlay systems, and (3) determine the fracture spacing to layer thickness ratio of layered sedimentary rocks. As is shown in the four material systems presented, this general solution has far reaching applications in facilitating design and analysis of typical bilayered structural systems.

Warming of Monolithic Structures in Winter

NASA Astrophysics Data System (ADS)

Pikus, G. A.; Lebed, A. R.

2017-11-01

The present work attempts to develop a mathematical model for calculating the heat transfer coefficient of the fence of monolithic structures erected in winter. The urgency and, at the same time, the practical significance of the research lies in the fact that to date no simple, effective tool has been developed to ensure the elimination of the unfavorable thermally stressed state of a structure’s concrete from maximum equalization of temperatures across its cross-section. The main problem for concrete is a high temperature which leads to a sharp decrease in the quality of erected structures due to developing cracks. This paper based on the well-known Newton’s law and its differential equation demonstrates the formula of concrete cooling and the analysis of its proportionality coefficient. Based on the literature analysis, it is established that the proportionality coefficient is determined by the thermophysical properties of concrete, the size and shape of the structure, and the intensity of its heat exchange with the surrounding medium. A limitation was used on the temperature gradient over the section of the monolithic structure to derive a formula for calculating the reduced heat transfer coefficient of a concrete fence. All mathematical calculations are given for cooling monolithic constructions in the form of plates. At the end of the work an example is given for the calculation of the required reduced heat transfer coefficient for the fence ensuring compliance with the permissible concrete temperature gradient.

Development and evaluation of the impulse transfer function technique

NASA Technical Reports Server (NTRS)

Mantus, M.

1972-01-01

The development of the test/analysis technique known as the impulse transfer function (ITF) method is discussed. This technique, when implemented with proper data processing systems, should become a valuable supplement to conventional dynamic testing and analysis procedures that will be used in the space shuttle development program. The method can relieve many of the problems associated with extensive and costly testing of the shuttle for transient loading conditions. In addition, the time history information derived from impulse testing has the potential for being used to determine modal data for the structure under investigation. The technique could be very useful in determining the time-varying modal characteristics of structures subjected to thermal transients, where conventional mode surveys are difficult to perform.

[Structural Change, Contextuality, and Transfer in Health Promotion--Sustainable Implementation of the BIG Project].

PubMed

Rütten, A; Frahsa, A; Rosenhäger, N; Wolff, A

2015-09-01

The BIG approach aims at promoting physical activity and health among socially disadvantaged women. BIG has been developed and sustainably implemented in Erlangen/Bavaria. Subsequently, it has been transferred to other communities and states in Germany. Crucial factors for sustainability and transfer in BIG are (1) lifestyle and policy analysis, (2) assets approach, (3) empowerment of target group, (4) enabling of policy-makers and professionals. © Georg Thieme Verlag KG Stuttgart · New York.

Sensitivity Analysis for Multidisciplinary Systems (SAMS)

DTIC Science & Technology

2016-12-01

support both mode-based structural representations and time-dependent, nonlinear finite element structural dynamics. This interim report describes...Adaptation, & Sensitivity Toolkit • Elasticity, heat transfer, & compressible flow • Adjoint solver for sensitivity analysis • High-order finite elements ...PROGRAM ELEMENT NUMBER 62201F 6. AUTHOR(S) Richard D. Snyder 5d. PROJECT NUMBER 2401 5e. TASK NUMBER N/A 5f. WORK UNIT NUMBER Q1FS 7

Stress Measurements on Blair High School Gymnasium: A Demonstration of Space Technology Transfer

NASA Technical Reports Server (NTRS)

Kastel, Dean

1966-01-01

This Report describes an actual demonstration of transfer to non-space use of technologies developed for space programs applications. Techniques used in assessing static and dynamic characteristics of the Blair High School gymnasium involved data acquisition by continuous scanning of strain gauge data acquired over a time of wide-temperature range, and analysis by a computer routine developed by Jet Propulsion Laboratory five years ago. The advantage of this method over conventional structural testing of uniquely designed structures was proved. More importantly, the process of demonstration was shown to be of great assistance to, and extension of, normal methods of disseminating information of new technologies. It is felt that significant benefit will derive from this improved mode oi concept transfer.

Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant.

PubMed

Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

2015-05-15

Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies.

Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant

NASA Astrophysics Data System (ADS)

Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

2015-05-01

Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies.

Simple structured hybrid WOLEDs based on incomplete energy transfer mechanism: from blue exciplex to orange dopant

PubMed Central

Zhang, Tianyou; Zhao, Bo; Chu, Bei; Li, Wenlian; Su, Zisheng; Yan, Xingwu; Liu, Chengyuan; Wu, Hairuo; Gao, Yuan; Jin, Fangming; Hou, Fuhua

2015-01-01

Exciplex is well known as a charge transfer state formed between electron-donating and electron-accepting molecules. However, exciplex based organic light emitting diodes (OLED) often performed low efficiencies relative to pure phosphorescent OLED and could hardly be used to construct white OLED (WOLED). In this work, a new mechanism is developed to realize efficient WOLED with extremely simple structure by redistributing the energy of triplet exciplex to both singlet exciplex and the orange dopant. The micro process of energy transfer could be directly examined by detailed photoluminescence decay measurement and time resolved photoluminescence analysis. This strategy overcomes the low reverse intersystem crossing efficiency of blue exciplex and complicated device structure of traditional WOLED, enables us to achieve efficient hybrid WOLEDs. Based on this mechanism, we have successfully constructed both exciplex-fluorescence and exciplex-phosphorescence hybrid WOLEDs with remarkable efficiencies. PMID:25975371

A novel approach in formulation of special transition elements: Mesh interface elements

NASA Technical Reports Server (NTRS)

Sarigul, Nesrin

1991-01-01

The objective of this research program is in the development of more accurate and efficient methods for solution of singular problems encountered in various branches of mechanics. The research program can be categorized under three levels. The first two levels involve the formulation of a new class of elements called 'mesh interface elements' (MIE) to connect meshes of traditional elements either in three dimensions or in three and two dimensions. The finite element formulations are based on boolean sum and blending operators. MEI are being formulated and tested in this research to account for the steep gradients encountered in aircraft and space structure applications. At present, the heat transfer and structural analysis problems are being formulated from uncoupled theory point of view. The status report: (1) summarizes formulation for heat transfer and structural analysis; (2) explains formulation of MEI; (3) examines computational efficiency; and (4) shows verification examples.

Minimum accommodation for aerobrake assembly. Phase 2: Structural concepts for a lunar transfer vehicle aerobrake which can be assembled on orbit

NASA Technical Reports Server (NTRS)

Dorsey, John T.; Watson, Judith J.; Tutterow, Robin D.

1993-01-01

A multidisciplinary conceptual study was conducted to define a reusable lunar transfer vehicle (LTV) aerobrake which could be launched on a Space Shuttle of Titan 4 and assembled on orbit at Space Station Freedom. A major objective was to design an aerobrake, with integrated structure and thermal protection systems, which has a mass less than 20 percent (9040 lb) of the LTV lunar return mass. The aerobrake segmentation concepts, the structural concepts, a joint concept for assembly, and a structural design with analysis of the aerobrake are described. Results show that a 50-foot diameter LTV aerobrake can be designed for on-orbit assembly which will achieve the 20 percent mass budget.

TAP 1: A Finite Element Program for Steady-State Thermal Analysis of Convectively Cooled Structures

NASA Technical Reports Server (NTRS)

Thornton, E. A.

1976-01-01

The program has a finite element library of six elements: two conduction/convection elements to model heat transfer in a solid, two convection elements to model heat transfer in a fluid, and two integrated conduction/convection elements to represent combined heat transfer in tubular and plate/fin fluid passages. Nonlinear thermal analysis due to temperature dependent thermal parameters is performed using the Newton-Raphson iteration method. Program output includes nodal temperatures and element heat fluxes. Pressure drops in fluid passages may be computed as an option. A companion plotting program for displaying the finite element model and predicted temperature distributions is presented. User instructions and sample problems are presented in appendixes.

Development of advanced structural analysis methodologies for predicting widespread fatigue damage in aircraft structures

NASA Technical Reports Server (NTRS)

Harris, Charles E.; Starnes, James H., Jr.; Newman, James C., Jr.

1995-01-01

NASA is developing a 'tool box' that includes a number of advanced structural analysis computer codes which, taken together, represent the comprehensive fracture mechanics capability required to predict the onset of widespread fatigue damage. These structural analysis tools have complementary and specialized capabilities ranging from a finite-element-based stress-analysis code for two- and three-dimensional built-up structures with cracks to a fatigue and fracture analysis code that uses stress-intensity factors and material-property data found in 'look-up' tables or from equations. NASA is conducting critical experiments necessary to verify the predictive capabilities of the codes, and these tests represent a first step in the technology-validation and industry-acceptance processes. NASA has established cooperative programs with aircraft manufacturers to facilitate the comprehensive transfer of this technology by making these advanced structural analysis codes available to industry.

Biofilms in 3D porous media: Delineating the influence of the pore network geometry, flow and mass transfer on biofilm development.

PubMed

Carrel, Maxence; Morales, Verónica L; Beltran, Mario A; Derlon, Nicolas; Kaufmann, Rolf; Morgenroth, Eberhard; Holzner, Markus

2018-05-01

This study investigates the functional correspondence between porescale hydrodynamics, mass transfer, pore structure and biofilm morphology during progressive biofilm colonization of a porous medium. Hydrodynamics and the structure of both the porous medium and the biofilm are experimentally measured with 3D particle tracking velocimetry and micro X-ray Computed Tomography, respectively. The analysis focuses on data obtained in a clean porous medium after 36 h of biofilm growth. Registration of the particle tracking and X-ray data sets allows to delineate the interplay between porous medium geometry, hydrodynamic and mass transfer processes on the morphology of the developing biofilm. A local analysis revealed wide distributions of wall shear stresses and concentration boundary layer thicknesses. The spatial distribution of the biofilm patches uncovered that the wall shear stresses controlled the biofilm development. Neither external nor internal mass transfer limitations were noticeable in the considered system, consistent with the excess supply of nutrient and electron acceptors. The wall shear stress remained constant in the vicinity of the biofilm but increased substantially elsewhere. Copyright © 2018 Elsevier Ltd. All rights reserved.

Synthesis, spectroscopic characterization and structural studies of a new proton transfer (H-bonded) complex of o-phenylenediamine with L-tartaric acid

NASA Astrophysics Data System (ADS)

Khan, Ishaat M.; Ahmad, Afaq

2013-10-01

A proton transfer or H-bonded (CT) complex of o-phenylenediamine (OPD) as donor with L-tartaric acid (TART) as acceptor was synthesized and characterized by spectral techniques such as FTIR, 1H NMR, elemental analysis, TGA-TDA, X-ray crystallography and spectrophotometric studies. The structural investigations exhibit that the cation [OPD+] and anion [TART-] are linked together through strong N+-H⋯O- type hydrogen bonds due to transfer of proton from acceptor to donor. Formed H-bonded complex exhibits well resolved proton transfer bands in the regions where neither donor nor acceptor has any absorption. The stoichiometry of the H-bonded complex (HBC) was found to be 1:1, determined by straight line methods. Spectrophotometric studies have been performed at room temperature and Benesi-Hildebrand equation was used to determine formation constant (KCT), molar extinction coefficient (ɛCT) and also transition energy (ECT) of the H-bonded complex. Spectrophotomeric and crystallographic studies have ascertained the formation of 1:1 H-bonded complex. Thermal analysis (TGA-DTA) was also used to confirm the thermal fragmentation and the stability of the synthesized H-bonded complex.

Atom Probe Tomographic Analysis of Biological Systems Enabled by Advanced Specimen Preparation Approaches

NASA Astrophysics Data System (ADS)

Perea, D. E.; Evans, J. E.

2017-12-01

The ability to image biointerfaces over nanometer to micrometer length scales is fundamental to correlating biological composition and structure to physiological function, and is aided by a multimodal approach using advanced complementary microscopic and spectroscopic characterization techniques. Atom Probe Tomography (APT) is a rapidly expanding technique for atomic-scale three-dimensional structural and chemical analysis. However, the regular application of APT to soft biological materials is lacking in large part due to difficulties in specimen preparation and inabilities to yield meaningful tomographic reconstructions that produce atomic scale compositional distributions as no other technique currently can. Here we describe the atomic-scale tomographic analysis of biological materials using APT that is facilitated by an advanced focused ion beam based approach. A novel specimen preparation strategy is used in the analysis of horse spleen ferritin protein embedded in an organic polymer resin which provides chemical contrast to distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell of the ferritin protein. One-dimensional composition profiles directly reveal an enhanced concentration of P and Na at the surface of the ferrihydrite mineral core. We will also describe the development of a unique multifunctional environmental transfer hub allowing controlled cryogenic transfer of specimens under vacuum pressure conditions between an Atom Probe and cryo-FIB/SEM. The utility of the environmental transfer hub is demonstrated through the acquisition of previously unavailable mass spectral analysis of an intact organometallic molecule made possible via controlled cryogenic transfer. The results demonstrate a viable application of APT analysis to study complex biological organic/inorganic interfaces relevant to energy and the environment. References D.E. Perea et al. An environmental transfer hub for multimodal atom probe tomography, Adv. Struct. Chem. Imag, 2017, 3:12 The research was performed at the Environmental Molecular Sciences Laboratory; a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.

Cornerstones of Completion: State Policy Support for Accelerated, Structured Pathways to College Credentials and Transfer

ERIC Educational Resources Information Center

Couturier, Lara K.

2012-01-01

In spring 2012, after a year of intensive data analysis and planning, the colleges participating in Completion by Design announced strategies for creating clear, structured routes through college for more students, often referred to as accelerated, structured pathways to completion. These strategies contain elements unique to each college, but all…

Strain transfer analysis of optical fiber based sensors embedded in an asphalt pavement structure

NASA Astrophysics Data System (ADS)

Wang, Huaping; Xiang, Ping

2016-07-01

Asphalt pavement is vulnerable to random damage, such as cracking and rutting, which can be proactively identified by distributed optical fiber sensing technology. However, due to the material nature of optical fibers, a bare fiber is apt to be damaged during the construction process of pavements. Thus, a protective layer is needed for this application. Unfortunately, part of the strain of the host material is absorbed by the protective layer when transferring the strain to the sensing fiber. To account for the strain transfer error, in this paper a theoretical analysis of the strain transfer of a three-layered general model has been carried out by introducing Goodman’s hypothesis to describe the interfacial shear stress relationship. The model considers the viscoelastic behavior of the host material and protective layer. The effects of one crack in the host material and the sensing length on strain transfer relationship are been discussed. To validate the effectiveness of the strain transfer analysis, a flexible asphalt-mastic packaged distributed optical fiber sensor was designed and tested in a laboratory environment to monitor the distributed strain and appearance of cracks in an asphalt concrete beam at two different temperatures. The experimental results indicated that the developed strain transfer formula can significantly reduce the strain transfer error, and that the asphalt-mastic packaged optical fiber sensor can successfully monitor the distributed strain and identify local cracks.

Probabilistic Structural Analysis Methods (PSAM) for select space propulsion systems components

NASA Technical Reports Server (NTRS)

1991-01-01

Summarized here is the technical effort and computer code developed during the five year duration of the program for probabilistic structural analysis methods. The summary includes a brief description of the computer code manuals and a detailed description of code validation demonstration cases for random vibrations of a discharge duct, probabilistic material nonlinearities of a liquid oxygen post, and probabilistic buckling of a transfer tube liner.

Effects of Oblique Extension and Inherited Structure Geometry on Transfer Zone Development in Continental Rifts: A 4D Analogue Modeling Approach

NASA Astrophysics Data System (ADS)

Zwaan, Frank; Schreurs, Guido

2015-04-01

INTRODUCTION Inherited structures in the crust form weak zones along which deformation will focus during rifting. Along-strike connection of rift segments may occur along transfer zones, as observed in East Africa. Previous studies have focused on numerical and analog modeling of transfer zones (e.g. Acocella et al., 1999, Allken et al., 2012). We elaborate upon those by investigating the effects of 1) oblique extension and 2) the geometry of linked and non-linked inherited structures on the development of transfer zones. A further improvement is the use of X-ray Computer Tomography (CT) for detailed internal analysis. METHODS The experimental set-up (see Schreurs & Colleta, 1998) contains two sidewalls with a base of compressed foam and plexiglass bars stacked in between. Decompressing this base results in distributed deformation of the overlying model materials. Deforming the model laterally with a mobile base plate produces the strike-slip components for oblique extension. Divergence velocities are in the order of 5 mm/h, translating to ca. 5 mm/Ma in nature, and 1 cm represents 10 km. A 2 cm thick layer of viscous silicone represents the ductile lower crust and a 2 cm quartz sand layer the brittle upper crust. Inherited structures are created with thin lines of silicon laid down on top of the basal silicone layer. Several models were run in a CT-scanner to reveal the 3D evolution of internal structures with time, hence 4D. RESULTS Localization of deformation along the pre-defined structures works well. The models show that the structural style changes with extension obliquity, from wide rift structures to narrower rifts with internal oblique-slip and finally strike-slip structures. Furthermore, rift offset is an important parameter influencing the occurrence of linkage: increasing rift offset decreases linkage as previously observed by Allken et al. (2012). However, increasing divergence obliquity promotes transfer zone formation, as does the presence of rift-connecting inherited zones, whose strike is at an angle of >15° with respect to the divergence direction. CT-analysis indicates that faulting initiated shortly after the start of the experiments, while structures become only clearly visible at the surface only after 1:30h (4% extension). Rift boundary fault angles tend to decrease from an initial 70° to ca. 55° after 4:00h (10% extension). Further CT-analysis will reveal the 3D evolution of the transform zones in more detail. REFERENCES Acocella, V., Faccenna, C., Funiciello, R., Rossetti, F., 1999. Sand-box modelling of basement-controlled transfer zones in extensional domains. Terra Nova, Vol. 11, No. 4, pp 149-156 Allken, V., Huismans, R. S., Thieulot, C., 2012. Factors controlling the mode of rift interaction in brittle-ductile coupled systems: A 3D numerical study, Geochem. Geophys. Geosyst. Vol. 13, Q05010 Schreurs, G., Colletta, B. (1998) Analogue modelling of faulting in zones of continental transpression and transtension. In: Holdsworth, R. E., Strachan R. A., Dewey, J. F., (eds.) 1998. Continental Transpressional and Transtensional Tectonics. Geological Society, London, Special Publications. No. 135, pp 59-79

Efficient near-field wireless energy transfer using adiabatic system variations

DOEpatents

Hamam, Rafif E.; Karalis, Aristeidis; Joannopoulos, John D.; Soljacic, Marin

2013-01-29

Disclosed is a method for transferring energy wirelessly including transferring energy wirelessly from a first resonator structure to an intermediate resonator structure, wherein the coupling rate between the first resonator structure and the intermediate resonator structure is .kappa..sub.1B, transferring energy wirelessly from the intermediate resonator structure to a second resonator structure, wherein the coupling rate between the intermediate resonator structure and the second resonator structure is .kappa..sub.B2, and during the wireless energy transfers, adjusting at least one of the coupling rates .kappa..sub.1B and .kappa..sub.B2 to reduce energy accumulation in the intermediate resonator structure and improve wireless energy transfer from the first resonator structure to the second resonator structure through the intermediate resonator structure.

Efficient near-field wireless energy transfer using adiabatic system variations

DOEpatents

Hamam, Rafif E; Karalis, Aristeidis; Joannopoulos, John D; Soljacic, Marin

2014-09-16

Disclosed is a method for transferring energy wirelessly including transferring energy wirelessly from a first resonator structure to an intermediate resonator structure, wherein the coupling rate between the first resonator structure and the intermediate resonator structure is .kappa..sub.1B, transferring energy wirelessly from the intermediate resonator structure to a second resonator structure, wherein the coupling rate between the intermediate resonator structure and the second resonator structure is .kappa..sub.B2, and during the wireless energy transfers, adjusting at least one of the coupling rates .kappa..sub.1B and .kappa..sub.B2 to reduce energy accumulation in the intermediate resonator structure and improve wireless energy transfer from the first resonator structure to the second resonator structure through the intermediate resonator structure.

Multidisciplinary Analysis and Optimal Design: As Easy as it Sounds?

NASA Technical Reports Server (NTRS)

Moore, Greg; Chainyk, Mike; Schiermeier, John

2004-01-01

The viewgraph presentation examines optimal design for precision, large aperture structures. Discussion focuses on aspects of design optimization, code architecture and current capabilities, and planned activities and collaborative area suggestions. The discussion of design optimization examines design sensitivity analysis; practical considerations; and new analytical environments including finite element-based capability for high-fidelity multidisciplinary analysis, design sensitivity, and optimization. The discussion of code architecture and current capabilities includes basic thermal and structural elements, nonlinear heat transfer solutions and process, and optical modes generation.

A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea.

PubMed

West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

2015-10-15

The analysis of molecular electron density matrices in terms of quasi-atomic orbitals, which was developed in previous investigations, is quantitatively exemplified by a detailed application to the urea molecule. The analysis is found to identify strong and weak covalent bonding interactions as well as intramolecular charge transfers. It yields a qualitative as well as quantitative ab initio description of the bonding structure of this molecule, which raises questions regarding some traditional rationalizations.

Analysis of influence mechanism of energy-related carbon emissions in Guangdong: evidence from regional China based on the input-output and structural decomposition analysis.

PubMed

Wang, Changjian; Wang, Fei; Zhang, Xinlin; Deng, Haijun

2017-11-01

It is important to analyze the influence mechanism of energy-related carbon emissions from a regional perspective to effectively achieve reductions in energy consumption and carbon emissions in China. Based on the "energy-economy-carbon emissions" hybrid input-output analysis framework, this study conducted structural decomposition analysis (SDA) on carbon emissions influencing factors in Guangdong Province. Systems-based examination of direct and indirect drivers for regional emission is presented. (1) Direct effects analysis of influencing factors indicated that the main driving factors of increasing carbon emissions were economic and population growth. Carbon emission intensity was the main contributing factor restraining carbon emissions growth. (2) Indirect effects analysis of influencing factors showed that international and interprovincial trades significantly affected the total carbon emissions. (3) Analysis of the effects of different final demands on the carbon emissions of industrial sector indicated that the increase in carbon emission arising from international and interprovincial trades is mainly concentrated in energy- and carbon-intensive industries. (4) Guangdong had to compromise a certain amount of carbon emissions during the development of its export-oriented economy because of industry transfer arising from the economic globalization, thereby pointing to the existence of the "carbon leakage" problem. At the same time, interprovincial export and import resulted in Guangdong transferring a part of its carbon emissions to other provinces, thereby leading to the occurrence of "carbon transfer."

Construction and Structural Analysis of Tethered Lipid Bilayer Containing Photosynthetic Antenna Proteins for Functional Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sumino, Ayumi; Dewa, Takehisa; Takeuchi, Toshikazu

2011-07-11

The construction and structural analysis of a tethered planar lipid bilayer containing bacterial photosynthetic membrane proteins, light-harvesting complex 2 (LH2), and light-harvesting core complex (LH1-RC) is described and establishes this system as an experimental platform for their functional analysis. The planar lipid bilayer containing LH2 and/or LH1-RC complexes was successfully formed on an avidin-immobilized coverglass via an avidin-biotin linkage. Atomic force microscopy (AFM) showed that a smooth continuous membrane was formed there. Lateral diffusion of these membrane proteins, observed by a fluorescence recovery after photobleaching (FRAY), is discussed in terms of the membrane architecture. Energy transfer from LH2 to LH1-RCmore » within the tethered membrane architecture. Energy transfer from LH2 to LH1-RC within the tethered membrane was observed by steady-state fluorescence spectroscopy, indicating that the tethered membrane can mimic the natural situation.« less

Space transfer concepts and analysis for exploration missions

NASA Technical Reports Server (NTRS)

Woodcock, Gordon R.

1992-01-01

The current technical effort is part of the third phase of a broad-scoped and systematic study of space transfer concepts for human lunar and Mars missions. The study addressed the technical issues relating to the First Lunar Outpost (FLO) habitation vehicle with emphasis on the structure, power, life support system, and radiation environment for a baseline habitat with specific alternatives for the baseline.

Weight optimization of an aerobrake structural concept for a lunar transfer vehicle

NASA Technical Reports Server (NTRS)

Bush, Lance B.; Unal, Resit; Rowell, Lawrence F.; Rehder, John J.

1992-01-01

An aerobrake structural concept for a lunar transfer vehicle was weight optimized through the use of the Taguchi design method, finite element analyses, and element sizing routines. Six design parameters were chosen to represent the aerobrake structural configuration. The design parameters included honeycomb core thickness, diameter-depth ratio, shape, material, number of concentric ring frames, and number of radial frames. Each parameter was assigned three levels. The aerobrake structural configuration with the minimum weight was 44 percent less than the average weight of all the remaining satisfactory experimental configurations. In addition, the results of this study have served to bolster the advocacy of the Taguchi method for aerospace vehicle design. Both reduced analysis time and an optimized design demonstrated the applicability of the Taguchi method to aerospace vehicle design.

Analysis of high speed flow, thermal and structural interactions

NASA Technical Reports Server (NTRS)

Thornton, Earl A.

1994-01-01

Research for this grant focused on the following tasks: (1) the prediction of severe, localized aerodynamic heating for complex, high speed flows; (2) finite element adaptive refinement methodology for multi-disciplinary analyses; (3) the prediction of thermoviscoplastic structural response with rate-dependent effects and large deformations; (4) thermoviscoplastic constitutive models for metals; and (5) coolant flow/structural heat transfer analyses.

Efficient near-field wireless energy transfer using adiabatic system variations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hamam, Rafif E.; Karalis, Aristeidis; Joannopoulos, John D.

Disclosed is a method for transferring energy wirelessly including transferring energy wirelessly from a first resonator structure to an intermediate resonator structure, wherein the coupling rate between the first resonator structure and the intermediate resonator structure is .kappa..sub.1B, transferring energy wirelessly from the intermediate resonator structure to a second resonator structure, wherein the coupling rate between the intermediate resonator structure and the second resonator structure is .kappa..sub.B2, and during the wireless energy transfers, adjusting at least one of the coupling rates .kappa..sub.1B and .kappa..sub.B2 to reduce energy accumulation in the intermediate resonator structure and improve wireless energy transfer from themore » first resonator structure to the second resonator structure through the intermediate resonator structure.« less

MODEL TESTS AND 3D ELASTIC FINITE ELEMENT ANALYSIS FOR STEEL PIPE PILES WITH WINGS IN STALLED IN SOIL CEMENT COLUMN

NASA Astrophysics Data System (ADS)

Tamai, Toshiyuki; Teramoto, Shuntarou; Kimura, Makoto

Steel pipe piles with wings installed in soil cement column is a composite foundation of pile consisting of soil improvement with cement and steel pipe with wings. This type of pile shows higher vertical bearing capacity when compared to steel pipe piles that are installed without soil cement. It is thought the wings contribute to higher bearing capacity of this type of piles. The wings are also thought to play the role of structural unification of pile foundations and load transfer. In this study, model test and 3D elastic finite element analysis was carried out in order to elucidate the effect of wings on the structural unification of pile foundation and the load transfer mechanism. Firstly, the model test was carried out in order to grasp the influence of pile with and without wings, the shape of wings of the pile and the unconfined compression strength of the soil cement on the structural unification of the pile foundation. The numerical analysis of the model test was then carried out on the intermediate part of the pile foundation with wings and mathematical model developed. Finally load tran sfer mechanism was checked for the entire length of the pile through this mathematical model and the load sharing ratio of the wings and stress distribution occurring in the soil cement clarified. In addition, the effect of the wing interval on the structural unification of the pile foundation and load transfer was also checked and clarified.

BACKWARD ANGLE STRUCTURE IN THE 20Ne+28Si QUASIELASTIC SCATTERING

NASA Astrophysics Data System (ADS)

Sgouros, O.; Soukeras, V.; Pakou, A.; Patronis, N.; Zerva, K.; Keeley, N.; Strojek, I.; Trzcińska, A.; Piasecki, E.; Rusek, K.; Stiliaris, E.; Mazzocco, M.

2013-10-01

New data for the quasielastic scattering of 20Ne from a 28Si target at incident energies of 42.5 MeV and 52.3 MeV and for the 28Si(20Ne, 24Mg)24Mg, 28Si(20Ne, 16O)32S and 28Si(20Ne, 12C)36Ar transfer reactions at 52.3 MeV are reported. Oscillations are observed in the backward angle quasielastic scattering data at 52.3 MeV and the 28Si(20Ne, 12C)36Ar transfer cross-sections are of the same magnitude as those for single-α stripping. Coupled reaction channels (CRC) calculations are unable to describe either the quasielastic or the 28Si(20Ne, 12C)36Ar transfer data assuming a sequential α transfer process with α-particle form factors from the literature. The addition of direct 8Be cluster transfer can provide a reasonable description of both data sets, but only with much larger spectroscopic factors than suggested by simple structure calculations or the large 8Be emission thresholds of 20Ne, 28Si and 36Ar, suggesting that the observed structure is of resonance-like origin. An optical model analysis of the quasielastic scattering data is also reported.

The electron transfer flavoprotein: ubiquinone oxidoreductases.

PubMed

Watmough, Nicholas J; Frerman, Frank E

2010-12-01

Electron transfer flavoprotein: ubiqionone oxidoreductase (ETF-QO) is a component of the mitochondrial respiratory chain that together with electron transfer flavoprotein (ETF) forms a short pathway that transfers electrons from 11 different mitochondrial flavoprotein dehydrogenases to the ubiquinone pool. The X-ray structure of the pig liver enzyme has been solved in the presence and absence of a bound ubiquinone. This structure reveals ETF-QO to be a monotopic membrane protein with the cofactors, FAD and a [4Fe-4S](+1+2) cluster, organised to suggests that it is the flavin that serves as the immediate reductant of ubiquinone. ETF-QO is very highly conserved in evolution and the recombinant enzyme from the bacterium Rhodobacter sphaeroides has allowed the mutational analysis of a number of residues that the structure suggested are involved in modulating the reduction potential of the cofactors. These experiments, together with the spectroscopic measurement of the distances between the cofactors in solution have confirmed the intramolecular pathway of electron transfer from ETF to ubiquinone. This approach can be extended as the R. sphaeroides ETF-QO provides a template for investigating the mechanistic consequences of single amino acid substitutions of conserved residues that are associated with a mild and late onset variant of the metabolic disease multiple acyl-CoA dehydrogenase deficiency (MADD). Copyright © 2010 Elsevier B.V. All rights reserved.

Ab Initio Path Integral Molecular Dynamics Study of the Nuclear Quantum Effect on Out-of-Plane Ring Deformation of Hydrogen Maleate Anion.

PubMed

Kawashima, Yukio; Tachikawa, Masanori

2014-01-14

Ab initio path integral molecular dynamics (PIMD) simulation was performed to understand the nuclear quantum effect on the out-of-plane ring deformation of hydrogen maleate anion and investigate the existence of a stable structure with ring deformation, which was suggested in experimental observation (Fillaux et al., Chem. Phys. 1999, 120, 387-403). The isotope effect and the temperature effect are studied as well. We first investigated the nuclear quantum effect on the proton transfer. In static calculation and classical ab initio molecular dynamics simulations, the proton in the hydrogen bond is localized to either oxygen atom. On the other hand, the proton is located at the center of two oxygen atoms in quantum ab initio PIMD simulations. The nuclear quantum effect washes out the barrier of proton transfer. We next examined the nuclear quantum effect on the motion of hydrogen maleate anion. Principal component analysis revealed that the out-of-plane ring bending modes have dominant contribution to the entire molecular motion. In quantum ab initio PIMD simulations, structures with ring deformation were the global minimum for the deuterated isotope at 300 K. We analyzed the out-of-plane ring bending mode further and found that there are three minima along a ring distortion mode. We successfully found a stable structure with ring deformation of hydrogen maleate for the first time, to our knowledge, using theoretical calculation. The structures with ring deformation found in quantum simulation of the deuterated isotope allowed the proton transfer to occur more frequently than the planar structure. Static ab initio electronic structure calculation found that the structures with ring deformation have very small proton transfer barrier compared to the planar structure. We suggest that the "proton transfer driven" mechanism is the origin of stabilization for the structure with out-of-plane ring deformation.

Axial flow heat exchanger devices and methods for heat transfer using axial flow devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koplow, Jeffrey P.

Systems and methods described herein are directed to rotary heat exchangers configured to transfer heat to a heat transfer medium flowing in substantially axial direction within the heat exchangers. Exemplary heat exchangers include a heat conducting structure which is configured to be in thermal contact with a thermal load or a thermal sink, and a heat transfer structure rotatably coupled to the heat conducting structure to form a gap region between the heat conducting structure and the heat transfer structure, the heat transfer structure being configured to rotate during operation of the device. In example devices heat may be transferredmore » across the gap region from a heated axial flow of the heat transfer medium to a cool stationary heat conducting structure, or from a heated stationary conducting structure to a cool axial flow of the heat transfer medium.« less

Flow-induced vibration analysis of a helical coil steam generator experiment using large eddy simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, Haomin; Solberg, Jerome; Merzari, Elia

This paper describes a numerical study of flow-induced vibration in a helical coil steam generator experiment conducted at Argonne National Laboratory in the 1980s. In the experiment, a half-scale sector model of a steam generator helical coil tube bank was subjected to still and flowing air and water, and the vibrational characteristics were recorded. The research detailed in this document utilizes the multi-physics simulation toolkit SHARP developed at Argonne National Laboratory, in cooperation with Lawrence Livermore National Laboratory, to simulate the experiment. SHARP uses the spectral element code Nek5000 for fluid dynamics analysis and the finite element code DIABLO formore » structural analysis. The flow around the coil tubes is modeled in Nek5000 by using a large eddy simulation turbulence model. Transient pressure data on the tube surfaces is sampled and transferred to DIABLO for the structural simulation. The structural response is simulated in DIABLO via an implicit time-marching algorithm and a combination of continuum elements and structural shells. Tube vibration data (acceleration and frequency) are sampled and compared with the experimental data. Currently, only one-way coupling is used, which means that pressure loads from the fluid simulation are transferred to the structural simulation but the resulting structural displacements are not fed back to the fluid simulation« less

Flow-induced vibration analysis of a helical coil steam generator experiment using large eddy simulation

DOE PAGES

Yuan, Haomin; Solberg, Jerome; Merzari, Elia; ...

2017-08-01

This study describes a numerical study of flow-induced vibration in a helical coil steam generator experiment conducted at Argonne National Laboratory in the 1980 s. In the experiment, a half-scale sector model of a steam generator helical coil tube bank was subjected to still and flowing air and water, and the vibrational characteristics were recorded. The research detailed in this document utilizes the multi-physics simulation toolkit SHARP developed at Argonne National Laboratory, in cooperation with Lawrence Livermore National Laboratory, to simulate the experiment. SHARP uses the spectral element code Nek5000 for fluid dynamics analysis and the finite element code DIABLOmore » for structural analysis. The flow around the coil tubes is modeled in Nek5000 by using a large eddy simulation turbulence model. Transient pressure data on the tube surfaces is sampled and transferred to DIABLO for the structural simulation. The structural response is simulated in DIABLO via an implicit time-marching algorithm and a combination of continuum elements and structural shells. Tube vibration data (acceleration and frequency) are sampled and compared with the experimental data. Currently, only one-way coupling is used, which means that pressure loads from the fluid simulation are transferred to the structural simulation but the resulting structural displacements are not fed back to the fluid simulation.« less

Flow-induced vibration analysis of a helical coil steam generator experiment using large eddy simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, Haomin; Solberg, Jerome; Merzari, Elia

This study describes a numerical study of flow-induced vibration in a helical coil steam generator experiment conducted at Argonne National Laboratory in the 1980 s. In the experiment, a half-scale sector model of a steam generator helical coil tube bank was subjected to still and flowing air and water, and the vibrational characteristics were recorded. The research detailed in this document utilizes the multi-physics simulation toolkit SHARP developed at Argonne National Laboratory, in cooperation with Lawrence Livermore National Laboratory, to simulate the experiment. SHARP uses the spectral element code Nek5000 for fluid dynamics analysis and the finite element code DIABLOmore » for structural analysis. The flow around the coil tubes is modeled in Nek5000 by using a large eddy simulation turbulence model. Transient pressure data on the tube surfaces is sampled and transferred to DIABLO for the structural simulation. The structural response is simulated in DIABLO via an implicit time-marching algorithm and a combination of continuum elements and structural shells. Tube vibration data (acceleration and frequency) are sampled and compared with the experimental data. Currently, only one-way coupling is used, which means that pressure loads from the fluid simulation are transferred to the structural simulation but the resulting structural displacements are not fed back to the fluid simulation.« less

Social insect colony as a biological regulatory system: modelling information flow in dominance networks.

PubMed

Nandi, Anjan K; Sumana, Annagiri; Bhattacharya, Kunal

2014-12-06

Social insects provide an excellent platform to investigate flow of information in regulatory systems since their successful social organization is essentially achieved by effective information transfer through complex connectivity patterns among the colony members. Network representation of such behavioural interactions offers a powerful tool for structural as well as dynamical analysis of the underlying regulatory systems. In this paper, we focus on the dominance interaction networks in the tropical social wasp Ropalidia marginata-a species where behavioural observations indicate that such interactions are principally responsible for the transfer of information between individuals about their colony needs, resulting in a regulation of their own activities. Our research reveals that the dominance networks of R. marginata are structurally similar to a class of naturally evolved information processing networks, a fact confirmed also by the predominance of a specific substructure-the 'feed-forward loop'-a key functional component in many other information transfer networks. The dynamical analysis through Boolean modelling confirms that the networks are sufficiently stable under small fluctuations and yet capable of more efficient information transfer compared to their randomized counterparts. Our results suggest the involvement of a common structural design principle in different biological regulatory systems and a possible similarity with respect to the effect of selection on the organization levels of such systems. The findings are also consistent with the hypothesis that dominance behaviour has been shaped by natural selection to co-opt the information transfer process in such social insect species, in addition to its primal function of mediation of reproductive competition in the colony. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Fourier analysis of conductive heat transfer for glazed roofing materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roslan, Nurhana Lyana; Bahaman, Nurfaradila; Almanan, Raja Noorliyana Raja

For low-rise buildings, roof is the most exposed surface to solar radiation. The main mode of heat transfer from outdoor via the roof is conduction. The rate of heat transfer and the thermal impact is dependent on the thermophysical properties of roofing materials. Thus, it is important to analyze the heat distribution for the various types of roofing materials. The objectives of this paper are to obtain the Fourier series for the conductive heat transfer for two types of glazed roofing materials, namely polycarbonate and polyfilled, and also to determine the relationship between the ambient temperature and the conductive heatmore » transfer for these materials. Ambient and surface temperature data were collected from an empirical field investigation in the campus of Universiti Teknologi MARA Shah Alam. The roofing materials were installed on free-standing structures in natural ventilation. Since the temperature data are generally periodic, Fourier series and numerical harmonic analysis are applied. Based on the 24-point harmonic analysis, the eleventh order harmonics is found to generate an adequate Fourier series expansion for both glazed roofing materials. In addition, there exists a linear relationship between the ambient temperature and the conductive heat transfer for both glazed roofing materials. Based on the gradient of the graphs, lower heat transfer is indicated through polyfilled. Thus polyfilled would have a lower thermal impact compared to polycarbonate.« less

Turbine Engine Hot Section Technology, 1987

NASA Technical Reports Server (NTRS)

1987-01-01

Presentations were made concerning the development of design analysis tools for combustor liners, turbine vanes, and turbine blades. Presentations were divided into six sections: instrumentation, combustion, turbine heat transfer, structural analysis, fatigue and fracture, surface protective coatings, constitutive behavior of materials, stress-strain response and life prediction methods.

Computerized Engineering

NASA Technical Reports Server (NTRS)

1998-01-01

In 1966, MacNeal-Schwendler Corporation (MSC) was awarded a contract by NASA to develop a general purpose structural analysis program dubbed NASTRAN (NASA structural analysis). The first operational version was delivered in 1969. In 1982, MSC procured the rights to market their subsequent version of NASTRAN to industry as a problem solver for applications ranging from acoustics to heat transfer. Known today as MSC/NASTRAN, the program has thousands of users worldwide. NASTRAN is also distributed through COSMIC.

Performance analyses of helical coil heat exchangers. The effect of external coil surface modification on heat exchanger effectiveness

NASA Astrophysics Data System (ADS)

Andrzejczyk, Rafał; Muszyński, Tomasz

2016-12-01

The shell and coil heat exchangers are commonly used in heating, ventilation, nuclear industry, process plant, heat recovery and air conditioning systems. This type of recuperators benefits from simple construction, the low value of pressure drops and high heat transfer. In helical coil, centrifugal force is acting on the moving fluid due to the curvature of the tube results in the development. It has been long recognized that the heat transfer in the helical tube is much better than in the straight ones because of the occurrence of secondary flow in planes normal to the main flow inside the helical structure. Helical tubes show good performance in heat transfer enhancement, while the uniform curvature of spiral structure is inconvenient in pipe installation in heat exchangers. Authors have presented their own construction of shell and tube heat exchanger with intensified heat transfer. The purpose of this article is to assess the influence of the surface modification over the performance coefficient and effectiveness. The experiments have been performed for the steady-state heat transfer. Experimental data points were gathered for both laminar and turbulent flow, both for co current- and countercurrent flow arrangement. To find optimal heat transfer intensification on the shell-side authors applied the number of transfer units analysis.

Structural Consequences of Mutations to the α-Tocopherol Transfer Protein Associated with the Neurodegenerative Disease Ataxia with Vitamin E Deficiency

PubMed Central

Bromley, Dennis; Anderson, Peter C.; Daggett, Valerie

2013-01-01

The α-tocopherol transfer protein (α-TTP) is a liver protein that transfers α-tocopherol (vitamin E) to very-low-density lipoproteins (VLDLs). These VLDLs are then circulated throughout the body to maintain blood α-tocopherol levels. Mutations to the α-TTP gene are associated with ataxia with vitamin E deficiency (AVED), a disease characterized by peripheral nerve degeneration. In this study, molecular dynamics simulations of the E141K and R59W disease-associated mutants were performed. The mutants displayed disruptions in and around the ligand-binding pocket. Structural analysis and ligand docking to the mutant structures predicted a decreased affinity for α-tocopherol. To determine the detailed mechanism of the mutation-related changes, we developed a new tool called ContactWalker that analyzes contact differences between mutant and wild-type proteins and highlights pathways of altered contacts within the mutant proteins. Taken together, our findings are in agreement with experiment and suggest structural explanations for the reduced ability of the mutants to bind and carry α-tocopherol. PMID:23713716

[Three dimensional mathematical model of tooth for finite element analysis].

PubMed

Puskar, Tatjana; Vasiljević, Darko; Marković, Dubravka; Jevremović, Danimir; Pantelić, Dejan; Savić-Sević, Svetlana; Murić, Branka

2010-01-01

The mathematical model of the abutment tooth is the starting point of the finite element analysis of stress and deformation of dental structures. The simplest and easiest way is to form a model according to the literature data of dimensions and morphological characteristics of teeth. Our method is based on forming 3D models using standard geometrical forms (objects) in programmes for solid modeling. Forming the mathematical model of abutment of the second upper premolar for finite element analysis of stress and deformation of dental structures. The abutment tooth has a form of a complex geometric object. It is suitable for modeling in programs for solid modeling SolidWorks. After analysing the literature data about the morphological characteristics of teeth, we started the modeling dividing the tooth (complex geometric body) into simple geometric bodies (cylinder, cone, pyramid,...). Connecting simple geometric bodies together or substricting bodies from the basic body, we formed complex geometric body, tooth. The model is then transferred into Abaqus, a computational programme for finite element analysis. Transferring the data was done by standard file format for transferring 3D models ACIS SAT. Using the programme for solid modeling SolidWorks, we developed three models of abutment of the second maxillary premolar: the model of the intact abutment, the model of the endodontically treated tooth with two remaining cavity walls and the model of the endodontically treated tooth with two remaining walls and inserted post. Mathematical models of the abutment made according to the literature data are very similar with the real abutment and the simplifications are minimal. These models enable calculations of stress and deformation of the dental structures. The finite element analysis provides useful information in understanding biomechanical problems and gives guidance for clinical research.

Coupling of a structural analysis and flow simulation for short-fiber-reinforced polymers: property prediction and transfer of results

NASA Astrophysics Data System (ADS)

Kröner, C.; Altenbach, H.; Naumenko, K.

2009-05-01

The aim of this paper is to discuss the basic theories of interfaces able to transfer the results of an injection molding analyis of fiber-reinforced polymers, performed by using the commercial computer code Moldflow, to the structural analysis program ABAQUS. The elastic constants of the materials, such as Young's modulus, shear modulus, and Poisson's ratio, which depend on both the fiber content and the degree of fiber orientation, were calculated not by the usual method of "orientation averaging," but with the help of linear functions fitted to experimental data. The calculation and transfer of all needed data, such as material properties, geometry, directions of anisotropy, and so on, is performed by an interface developed. The interface is suit able for midplane elements in Moldflow. It calculates and transfers to ABAQUS all data necessary for the use of shell elements. In addition, a method is described how a nonlinear orthotropic behavior can be modeled starting from the generalized Hooke's law. It is also shown how such a model can be implemented in ABAQUS by means of a material subroutine. The results obtained according to this subroutine are compared with those based on an orthotropic, linear, elastic simulation.

CFD and Thermo Mechanical Analysis on Effect of Curved vs Step Surface in IC Engine Cylinder Head

NASA Astrophysics Data System (ADS)

Balaji, S.; Ganesh, N.; Kumarasamy, A.

2017-05-01

Current research in IC engines mainly focus on various methods to achieve higher efficiency and high specific power. As a single design parameter, combustion chamber peak spring pressure has increased more than before. Apart from the structural aspects of withstanding these loads, designer faces challenges of resolving thermal aspects of cylinder head. Methods to enhance the heat transfer without compromising load withstanding capability are being constantly explored. Conventional cylinder heads have got sat inner surface. In this paper we have suggested a modification in inner surface to enhance the heat transfer capability. To increase the heat transfer rate, inner same deck surface is configured as a curved and stepped surface instead of sat. We have reported the effectiveness of extend of curvature in the inner same deck surface in a different technical paper. Here, we are making a direct comparison between stepped and curved surface only. From this analysis it has been observed that curved surface reduces the ame deck temperature considerably without compromising the structural strength factors compared to step and sat surface.

Thermal-Acoustic Analysis of a Metallic Integrated Thermal Protection System Structure

NASA Technical Reports Server (NTRS)

Behnke, Marlana N.; Sharma, Anurag; Przekop, Adam; Rizzi, Stephen A.

2010-01-01

A study is undertaken to investigate the response of a representative integrated thermal protection system structure under combined thermal, aerodynamic pressure, and acoustic loadings. A two-step procedure is offered and consists of a heat transfer analysis followed by a nonlinear dynamic analysis under a combined loading environment. Both analyses are carried out in physical degrees-of-freedom using implicit and explicit solution techniques available in the Abaqus commercial finite-element code. The initial study is conducted on a reduced-size structure to keep the computational effort contained while validating the procedure and exploring the effects of individual loadings. An analysis of a full size integrated thermal protection system structure, which is of ultimate interest, is subsequently presented. The procedure is demonstrated to be a viable approach for analysis of spacecraft and hypersonic vehicle structures under a typical mission cycle with combined loadings characterized by largely different time-scales.

Transference interventions and the process between therapist and patient.

PubMed

Ulberg, Randi; Amlo, Svein; Critchfield, Kenneth L; Marble, Alice; Høglend, Per

2014-06-01

Interpreting the transference has been considered a core ingredient in psychodynamic psychotherapy. The effects of analyzing the transference are probably dependent on certain characteristics of the interventions themselves and the context in which transference interventions are given. The present study describes the development and use of a therapy process rating scale (Transference Work Scale; TWS) constructed to identify, categorize, and explore work with the transference. TWS has subscales that rate timing, content, and valence of the transference interventions, as well as response from the patient. Transcribed segments (10 min) from 51 different patients were scored with TWS by 2 independent raters. The interrater agreement on the TWS items was good to excellent. Clinical examples of transference work were also rated using the Structural Analysis of Social Behavior (SASB). TWS and SASB supplement each other. TWS might be a potentially useful tool to explore the interaction of timing, category, and valence of transference work in predicting in-session patient response as well as treatment outcome. (c) 2014 APA, all rights reserved.

An enzymatically-sensitized sequential and concentric energy transfer relay self-assembled around semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Samanta, Anirban; Walper, Scott A.; Susumu, Kimihiro; Dwyer, Chris L.; Medintz, Igor L.

2015-04-01

The ability to control light energy within de novo nanoscale structures and devices will greatly benefit their continuing development and ultimate application. Ideally, this control should extend from generating the light itself to its spatial propagation within the device along with providing defined emission wavelength(s), all in a stand-alone modality. Here we design and characterize macromolecular nanoassemblies consisting of semiconductor quantum dots (QDs), several differentially dye-labeled peptides and the enzyme luciferase which cumulatively demonstrate many of these capabilities by engaging in multiple-sequential energy transfer steps. To create these structures, recombinantly-expressed luciferase and the dye-labeled peptides were appended with a terminal polyhistidine sequence allowing for controlled ratiometric self-assembly around the QDs via metal-affinity coordination. The QDs serve to provide multiple roles in these structures including as central assembly platforms or nanoscaffolds along with acting as a potent energy harvesting and transfer relay. The devices are activated by addition of coelenterazine H substrate which is oxidized by luciferase producing light energy which sensitizes the central 625 nm emitting QD acceptor by bioluminescence resonance energy transfer (BRET). The sensitized QD, in turn, acts as a relay and transfers the energy to a first peptide-labeled Alexa Fluor 647 acceptor dye displayed on its surface. This dye then transfers energy to a second red-shifted peptide-labeled dye acceptor on the QD surface through a second concentric Förster resonance energy transfer (FRET) process. Alexa Fluor 700 and Cy5.5 are both tested in the role of this terminal FRET acceptor. Photophysical analysis of spectral profiles from the resulting sequential BRET-FRET-FRET processes allow us to estimate the efficiency of each of the transfer steps. Importantly, the efficiency of each step within this energy transfer cascade can be controlled to some extent by the number of enzymes/peptides displayed on the QD. Further optimization of the energy transfer process(es) along with potential applications of such devices are finally discussed.The ability to control light energy within de novo nanoscale structures and devices will greatly benefit their continuing development and ultimate application. Ideally, this control should extend from generating the light itself to its spatial propagation within the device along with providing defined emission wavelength(s), all in a stand-alone modality. Here we design and characterize macromolecular nanoassemblies consisting of semiconductor quantum dots (QDs), several differentially dye-labeled peptides and the enzyme luciferase which cumulatively demonstrate many of these capabilities by engaging in multiple-sequential energy transfer steps. To create these structures, recombinantly-expressed luciferase and the dye-labeled peptides were appended with a terminal polyhistidine sequence allowing for controlled ratiometric self-assembly around the QDs via metal-affinity coordination. The QDs serve to provide multiple roles in these structures including as central assembly platforms or nanoscaffolds along with acting as a potent energy harvesting and transfer relay. The devices are activated by addition of coelenterazine H substrate which is oxidized by luciferase producing light energy which sensitizes the central 625 nm emitting QD acceptor by bioluminescence resonance energy transfer (BRET). The sensitized QD, in turn, acts as a relay and transfers the energy to a first peptide-labeled Alexa Fluor 647 acceptor dye displayed on its surface. This dye then transfers energy to a second red-shifted peptide-labeled dye acceptor on the QD surface through a second concentric Förster resonance energy transfer (FRET) process. Alexa Fluor 700 and Cy5.5 are both tested in the role of this terminal FRET acceptor. Photophysical analysis of spectral profiles from the resulting sequential BRET-FRET-FRET processes allow us to estimate the efficiency of each of the transfer steps. Importantly, the efficiency of each step within this energy transfer cascade can be controlled to some extent by the number of enzymes/peptides displayed on the QD. Further optimization of the energy transfer process(es) along with potential applications of such devices are finally discussed. Electronic supplementary information (ESI) available: This material includes control experimental data and select deconvoluted spectra. See DOI: 10.1039/c5nr00828j

In Situ Solid-State Reactions Monitored by X-ray Absorption Spectroscopy: Temperature-Induced Proton Transfer Leads to Chemical Shifts.

PubMed

Stevens, Joanna S; Walczak, Monika; Jaye, Cherno; Fischer, Daniel A

2016-10-24

The dramatic colour and phase alteration with the solid-state, temperature-dependent reaction between squaric acid and 4,4'-bipyridine has been probed in situ with X-ray absorption spectroscopy. The electronic and chemical sensitivity to the local atomic environment through chemical shifts in the near-edge X-ray absorption fine structure (NEXAFS) revealed proton transfer from the acid to the bipyridine base through the change in nitrogen protonation state in the high-temperature form. Direct detection of proton transfer coupled with structural analysis elucidates the nature of the solid-state process, with intermolecular proton transfer occurring along an acid-base chain followed by a domino effect to the subsequent acid-base chains, leading to the rapid migration along the length of the crystal. NEXAFS thereby conveys the ability to monitor the nature of solid-state chemical reactions in situ, without the need for a priori information or long-range order. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, crystal structure, antimicrobial activity and DNA-binding of hydrogen-bonded proton-transfer complex of 2,6-diaminopyridine with picric acid.

PubMed

Khan, Ishaat M; Ahmad, Afaq; Ullah, M F

2011-04-04

A proton-transfer (charge transfer) complex formed on the reaction between 2,6-diaminopyridine (donor) and picric acid (acceptor) was synthesized and characterized by FTIR, (1)H NMR, thermal and elemental analysis. The crystal structure determined by single-crystal X-ray diffraction indicates that cation and anion are joined together by strong N(+)-H- -O(-) type hydrogen bonds. The hydrogen-bonded charge transfer (HBCT) complex was screened for its pharmacology such as antimicrobial activity against various fungal and bacterial strains and Calf thymus DNA-binding. The results showed that HBCT complex (100μg/ml) exhibited good antibacterial antifungal activity as that of standard antibiotics Tetracycline and Nystatin. A molecular frame work through H-bonding interactions between neighboring moieties is found to be responsible for high melting point of resulting complex. This has been attributed to the formation of 1:1 HBCT complex. Copyright © 2011 Elsevier B.V. All rights reserved.

Detailed modeling analysis for soot formation and radiation in microgravity gas jet diffusion flames

NASA Technical Reports Server (NTRS)

Ku, Jerry C.; Tong, LI; Greenberg, Paul S.

1995-01-01

Radiation heat transfer in combustion systems has been receiving increasing interest. In the case of hydrocarbon fuels, a significant portion of the radiation comes from soot particles, justifying the need for detailed soot formation model and radiation transfer calculations. For laminar gas jet diffusion flames, results from this project (4/1/91 8/22/95) and another NASA study show that flame shape, soot concentration, and radiation heat fluxes are substantially different under microgravity conditions. Our emphasis is on including detailed soot transport models and a detailed solution for radiation heat transfer, and on coupling them with the flame structure calculations. In this paper, we will discuss the following three specific areas: (1) Comparing two existing soot formation models, and identifying possible improvements; (2) A simple yet reasonably accurate approach to calculating total radiative properties and/or fluxes over the spectral range; and (3) Investigating the convergence of iterations between the flame structure solver and the radiation heat transfer solver.

Quantum state transfer in double-quantum-well devices

NASA Technical Reports Server (NTRS)

Jakumeit, Jurgen; Tutt, Marcel; Pavlidis, Dimitris

1994-01-01

A Monte Carlo simulation of double-quantum-well (DQW) devices is presented in view of analyzing the quantum state transfer (QST) effect. Different structures, based on the AlGaAs/GaAs system, were simulated at 77 and 300 K and optimized in terms of electron transfer and device speed. The analysis revealed the dominant role of the impurity scattering for the QST. Different approaches were used for the optimization of QST devices and basic physical limitations were found in the electron transfer between the QWs. The maximum transfer of electrons from a high to a low mobility well was at best 20%. Negative differential resistance is hampered by the almost linear rather than threshold dependent relation of electron transfer on electric field. By optimizing the doping profile the operation frequency limit could be extended to 260 GHz.

Substituent and Solvent Effects on Excited State Charge Transfer Behavior of Highly Fluorescent Dyes Containing Thiophenylimidazole-Based Aldehydes

NASA Technical Reports Server (NTRS)

Santos, Javier; Bu, Xiu R.; Mintz, Eric A.

2001-01-01

The excited state charge transfer for a series of highly fluorescent dyes containing thiophenylimidazole moiety was investigated. These systems follow the Twisted Intramolecular Charge Transfer (TICT) model. Dual fluorescence was observed for each substituted dye. X-ray structures analysis reveals a twisted ground state geometry for the donor substituted aryl on the 4 and 5 position at the imidazole ring. The excited state charge transfer was modeled by a linear solvation energy relationship using Taft's pi and Dimroth's E(sub T)(30) as solvent parameters. There is linear relation between the energy of the fluorescence transition and solvent polarity. The degree of stabilization of the excited state charge transfer was found to be consistent with the intramolecular molecular charge transfer. Excited dipole moment was studied by utilizing the solvatochromic shift method.

On the transferability of electron density in binary vanadium borides VB, V3B4 and VB2.

PubMed

Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I; Borrmann, Horst; Grin, Yuri

2015-12-01

Binary vanadium borides are suitable model systems for a systematic analysis of the transferability concept in intermetallic compounds due to chemical intergrowth in their crystal structures. In order to underline this structural relationship, topological properties of the electron density in VB, V3B4 and VB2 reconstructed from high-resolution single-crystal X-ray diffraction data as well as derived from quantum chemical calculations, are analysed in terms of Bader's Quantum Theory of Atoms in Molecules [Bader (1990). Atoms in Molecules: A Quantum Theory, 1st ed. Oxford: Clarendon Press]. The compounds VB, V3B4 and VB2 are characterized by a charge transfer from the metal to boron together with two predominant atomic interactions, the shared covalent B-B interactions and the polar covalent B-M interactions. The resembling features of the crystal structures are well reflected by the respective B-B interatomic distances as well as by ρ(r) values at the B-B bond critical points. The latter decrease with an increase in the corresponding interatomic distances. The B-B bonds show transferable electron density properties at bond critical points depending on the respective bond distances.

Turbine Engine Hot Section Technology, 1984

NASA Technical Reports Server (NTRS)

1984-01-01

Presentations were made concerning the hot section environment and behavior of combustion liners, turbine blades, and waves. The presentations were divided into six sessions: instrumentation, combustion, turbine heat transfer, structural analysis, fatigue and fracture, and surface properties. The principal objective of each session was to disseminate research results to date, along with future plans. Topics discussed included modeling of thermal and fluid flow phenomena, structural analysis, fatigue and fracture, surface protective coatings, constitutive behavior, stress-strain response, and life prediction methods.

Thermal and structural analysis of the GOES scan mirror's on orbit performance

NASA Technical Reports Server (NTRS)

Zurmehly, G. E.; Hookman, R. A.

1991-01-01

The on-orbit performance of the GOES satellite's scan mirror has been predicted by means of thermal, structural, and optical models. A simpler-than-conventional thermal model was used to reduce the time required to obtain orbital predictions, and the structural model was used to predict on-earth gravity sag and on-orbit distortions. The transfer of data from the thermal model to the structural model was automated for a given set of thermal nodes and structural grids.

DTFM Modeling and Analysis Method for Gossamer Structures

NASA Technical Reports Server (NTRS)

Fang, Hou-Fei; Lou, Michael; Broduer, Steve (Technical Monitor)

2001-01-01

Gossamer systems are mostly composed of support structures formed by highly flexible, long tubular elements and pre-tensioned thin-film membranes. These systems offer order-of-magnitude reductions in mass and launch volume and will revolutionize the architecture and design of space flight systems that require large in-orbit configurations and apertures. A great interest has been generated in recent years to fly gossamer systems on near-term and future space missions. Modeling and analysis requirements for gossamer structures are unique. Simulation of in-space performance issues of gossamer structures, such as inflation deployment of flexible booms, formation and effects of wrinkle in tensioned membranes, synthesis of tubular and membrane elements into a complete structural system, usually cannot be accomplished by using the general-purpose finite-element structural analysis codes. This has led to the need of structural modeling and analysis capabilities specifically suitable for gossamer structures. The Distributed Transfer Function Method (DTFM) can potentially meet this urgent need. Additional information is contained in the original extended abstract.

HEAP: Heat Energy Analysis Program, a computer model simulating solar receivers. [solving the heat transfer problem

NASA Technical Reports Server (NTRS)

Lansing, F. L.

1979-01-01

A computer program which can distinguish between different receiver designs, and predict transient performance under variable solar flux, or ambient temperatures, etc. has a basic structure that fits a general heat transfer problem, but with specific features that are custom-made for solar receivers. The code is written in MBASIC computer language. The methodology followed in solving the heat transfer problem is explained. A program flow chart, an explanation of input and output tables, and an example of the simulation of a cavity-type solar receiver are included.

Effect of metal shielding on a wireless power transfer system

NASA Astrophysics Data System (ADS)

Li, Jiacheng; Huang, Xueliang; Chen, Chen; Tan, Linlin; Wang, Wei; Guo, Jinpeng

2017-05-01

In this paper, the effect of non-ferromagnetic metal shielding (NFMS) material on the resonator of wireless power transfer (WPT) is studied by modeling, simulation and experimental analysis. And, the effect of NFMS material on the power transfer efficiency (PTE) of WPT systems is investigated by circuit model. Meanwhile, the effect of ferromagnetic metal shielding material on the PTE of WPT systems is analyzed through simulation. A double layer metal shield structure is designed. Experimental results demonstrate that by applying the novel double layer metal shielding method, the system PTE increases significantly while the electromagnetic field of WPT systems declines dramatically.

Thermally induced fracture for core-veneered dental ceramic structures.

PubMed

Zhang, Zhongpu; Guazzato, Massimiliano; Sornsuwan, Tanapon; Scherrer, Susanne S; Rungsiyakull, Chaiy; Li, Wei; Swain, Michael V; Li, Qing

2013-09-01

Effective and reliable clinical uses of dental ceramics necessitate an insightful analysis of the fracture behaviour under critical conditions. To better understand failure characteristics of porcelain veneered to zirconia core ceramic structures, thermally induced cracking during the cooling phase of fabrication is studied here by using the extended finite element method (XFEM). In this study, a transient thermal analysis of cooling is conducted first to determine the temperature distributions. The time-dependent temperature field is then imported to the XFEM model for viscoelastic thermomechanical analysis, which predicts thermally induced damage and cracking at different time steps. Temperature-dependent material properties are used in both transient thermal and thermomechanical analyses. Three typical ceramic structures are considered in this paper, namely bi-layered spheres, squat cylinders and dental crowns with thickness ratios of either 1:2 or 1:1. The XFEM fracture patterns exhibit good agreement with clinical observation and the in vitro experimental results obtained from scanning electron microscopy characterization. The study reveals that fast cooling can lead to thermal fracture of these different bi-layered ceramic structures, and cooling rate (in terms of heat transfer coefficient) plays a critical role in crack initiation and propagation. By exploring different cooling rates, the heat transfer coefficient thresholds of fracture are determined for different structures, which are of clear clinical implication. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Structural integrity of callosal midbody influences intermanual transfer in a motor reaction-time task.

PubMed

Bonzano, Laura; Tacchino, Andrea; Roccatagliata, Luca; Mancardi, Giovanni Luigi; Abbruzzese, Giovanni; Bove, Marco

2011-02-01

Training one hand on a motor task results in performance improvements in the other hand, also when stimuli are randomly presented (nonspecific transfer). Corpus callosum (CC) is the main structure involved in interhemispheric information transfer; CC pathology occurs in patients with multiple sclerosis (PwMS) and is related to altered performance of tasks requiring interhemispheric transfer of sensorimotor information. To investigate the role of CC in nonspecific transfer during a pure motor reaction-time task, we combined motor behavior with diffusion tensor imaging analysis in PwMS. Twenty-two PwMS and 10 controls, all right-handed, were asked to respond to random stimuli with appropriate finger opposition movements with the right (learning) and then the left (transfer) hand. PwMS were able to improve motor performance reducing response times with practice with a trend similar to controls and preserved the ability to transfer the acquired motor information from the learning to the transfer hand. A higher variability in the transfer process, indicated by a significantly larger standard deviation of mean nonspecific transfer, was found in the PwMS group with respect to the control group, suggesting the presence of subtle impairments in interhemispheric communication in some patients. Then, we correlated the amount of nonspecific transfer with mean fractional anisotropy (FA) values, indicative of microstructural damage, obtained in five CC subregions identified on PwMS's FA maps. A significant correlation was found only in the subregion including posterior midbody (Pearson's r = 0.74, P = 0.003), which thus seems to be essential for the interhemispheric transfer of information related to pure sensorimotor tasks. Copyright © 2010 Wiley-Liss, Inc.

Information technology in complex health services: organizational impediments to successful technology transfer and diffusion.

PubMed

Southon, F C; Sauer, C; Grant, C N

1997-01-01

To identify impediments to the successful transfer and implementation of packaged information systems through large, divisionalized health services. A case analysis of the failure of an implementation of a critical application in the Public Health System of the State of New South Wales, Australia, was carried out. This application had been proven in the United States environment. Interviews involving over 60 staff at all levels of the service were undertaken by a team of three. The interviews were recorded and analyzed for key themes, and the results were shared and compared to enable a continuing critical assessment. Two components of the transfer of the system were considered: the transfer from a different environment, and the diffusion throughout a large, divisionalized organization. The analyses were based on the Scott-Morton organizational fit framework. In relation to the first, it was found that there was a lack of fit in the business environments and strategies, organizational structures and strategy-structure pairing as well as the management process-roles pairing. The diffusion process experienced problems because of the lack of fit in the strategy-structure, strategy-structure-management processes, and strategy-structure-role relationships. The large-scale developments of integrated health services present great challenges to the efficient and reliable implementation of information technology, especially in large, divisionalized organizations. There is a need to take a more sophisticated approach to understanding the complexities of organizational factors than has traditionally been the case.

Development of deployable structures for large space platforms. Volume 2: Design development

NASA Technical Reports Server (NTRS)

Greenberg, H. S.

1983-01-01

Design evolution, test article design, test article mass properties, and structural analysis of deployable platform systems are discussed. Orbit transfer vehicle (OTV) hangar development, OTV hangar concept selection, and manned module development are discussed. Deployable platform systems requirements, material data base, technology development needs, concept selection and deployable volume enclosures are also discussed.

Computing algebraic transfer entropy and coupling directions via transcripts

NASA Astrophysics Data System (ADS)

Amigó, José M.; Monetti, Roberto; Graff, Beata; Graff, Grzegorz

2016-11-01

Most random processes studied in nonlinear time series analysis take values on sets endowed with a group structure, e.g., the real and rational numbers, and the integers. This fact allows to associate with each pair of group elements a third element, called their transcript, which is defined as the product of the second element in the pair times the first one. The transfer entropy of two such processes is called algebraic transfer entropy. It measures the information transferred between two coupled processes whose values belong to a group. In this paper, we show that, subject to one constraint, the algebraic transfer entropy matches the (in general, conditional) mutual information of certain transcripts with one variable less. This property has interesting practical applications, especially to the analysis of short time series. We also derive weak conditions for the 3-dimensional algebraic transfer entropy to yield the same coupling direction as the corresponding mutual information of transcripts. A related issue concerns the use of mutual information of transcripts to determine coupling directions in cases where the conditions just mentioned are not fulfilled. We checked the latter possibility in the lowest dimensional case with numerical simulations and cardiovascular data, and obtained positive results.

Commercialization of NESSUS: Status

NASA Technical Reports Server (NTRS)

Thacker, Ben H.; Millwater, Harry R.

1991-01-01

A plan was initiated in 1988 to commercialize the Numerical Evaluation of Stochastic Structures Under Stress (NESSUS) probabilistic structural analysis software. The goal of the on-going commercialization effort is to begin the transfer of Probabilistic Structural Analysis Method (PSAM) developed technology into industry and to develop additional funding resources in the general area of structural reliability. The commercialization effort is summarized. The SwRI NESSUS Software System is a general purpose probabilistic finite element computer program using state of the art methods for predicting stochastic structural response due to random loads, material properties, part geometry, and boundary conditions. NESSUS can be used to assess structural reliability, to compute probability of failure, to rank the input random variables by importance, and to provide a more cost effective design than traditional methods. The goal is to develop a general probabilistic structural analysis methodology to assist in the certification of critical components in the next generation Space Shuttle Main Engine.

Miscibility at the immiscible liquid/liquid interface: A molecular dynamics study of thermodynamics and mechanism

NASA Astrophysics Data System (ADS)

Karnes, John J.; Benjamin, Ilan

2018-01-01

Molecular dynamics simulations are used to study the dissolution of water into an adjacent, immiscible organic liquid phase. Equilibrium thermodynamic and structural properties are calculated during the transfer of water molecule(s) across the interface using umbrella sampling. The net free energy of transfer agrees reasonably well with experimental solubility values. We find that water molecules "prefer" to transfer into the adjacent phase one-at-a-time, without co-transfer of the hydration shell, as in the case of evaporation. To study the dynamics and mechanism of transfer of water to liquid nitrobenzene, we collected over 400 independent dissolution events. Analysis of these trajectories suggests that the transfer of water is facilitated by interfacial protrusions of the water phase into the organic phase, where one water molecule at the tip of the protrusion enters the organic phase by the breakup of a single hydrogen bond.

Integrated analysis of energy transfers in elastic-wave turbulence.

PubMed

Yokoyama, Naoto; Takaoka, Masanori

2017-08-01

In elastic-wave turbulence, strong turbulence appears in small wave numbers while weak turbulence does in large wave numbers. Energy transfers in the coexistence of these turbulent states are numerically investigated in both the Fourier space and the real space. An analytical expression of a detailed energy balance reveals from which mode to which mode energy is transferred in the triad interaction. Stretching energy excited by external force is transferred nonlocally and intermittently to large wave numbers as the kinetic energy in the strong turbulence. In the weak turbulence, the resonant interactions according to the weak turbulence theory produce cascading net energy transfer to large wave numbers. Because the system's nonlinearity shows strong temporal intermittency, the energy transfers are investigated at active and moderate phases separately. The nonlocal interactions in the Fourier space are characterized by the intermittent bundles of fibrous structures in the real space.

A spatial analysis of hierarchical waste transport structures under growing demand.

PubMed

Tanguy, Audrey; Glaus, Mathias; Laforest, Valérie; Villot, Jonathan; Hausler, Robert

2016-10-01

The design of waste management systems rarely accounts for the spatio-temporal evolution of the demand. However, recent studies suggest that this evolution affects the planning of waste management activities like the choice and location of treatment facilities. As a result, the transport structure could also be affected by these changes. The objective of this paper is to study the influence of the spatio-temporal evolution of the demand on the strategic planning of a waste transport structure. More particularly this study aims at evaluating the effect of varying spatial parameters on the economic performance of hierarchical structures (with one transfer station). To this end, three consecutive generations of three different spatial distributions were tested for hierarchical and non-hierarchical transport structures based on costs minimization. Results showed that a hierarchical structure is economically viable for large and clustered spatial distributions. The distance parameter was decisive but the loading ratio of trucks and the formation of clusters of sources also impacted the attractiveness of the transfer station. Thus the territories' morphology should influence strategies as regards to the installation of transfer stations. The use of spatial-explicit tools such as the transport model presented in this work that take into account the territory's evolution are needed to help waste managers in the strategic planning of waste transport structures. © The Author(s) 2016.

A recombination hot spot in HIV-1 contains guanosine runs that can form a G-quartet structure and promote strand transfer in vitro.

PubMed

Shen, Wen; Gao, Lu; Balakrishnan, Mini; Bambara, Robert A

2009-12-04

The co-packaged RNA genomes of human immunodeficiency virus-1 recombine at a high rate. Recombination can mix mutations to generate viruses that escape immune response. A cell-culture-based system was designed previously to map recombination events in a 459-bp region spanning the primer binding site through a portion of the gag protein coding region. Strikingly, a strong preferential site for recombination in vivo was identified within a 112-nucleotide-long region near the beginning of gag. Strand transfer assays in vitro revealed that three pause bands in the gag hot spot each corresponded to a run of guanosine (G) residues. Pausing of reverse transcriptase is known to promote recombination by strand transfer both in vivo and in vitro. To assess the significance of the G runs, we altered them by base substitutions. Disruption of the G runs eliminated both the associated pausing and strand transfer. Some G-rich sequences can develop G-quartet structures, which were first proposed to form in telomeric DNA. G-quartet structure formation is highly dependent on the presence of specific cations. Incubation in cations discouraging G-quartets altered gel mobility of the gag template consistent with breakdown of G-quartet structure. The same cations faded G-run pauses but did not affect pauses caused by hairpins, indicating that quartet structure causes pausing. Moreover, gel analysis with cations favoring G-quartet structure indicated no structure in mutated templates. Overall, results point to reverse transcriptase pausing at G runs that can form quartets as a unique feature of the gag recombination hot spot.

High-power piezoelectric acoustic-electric power feedthru for metal walls

NASA Astrophysics Data System (ADS)

Bao, Xiaoqi; Biederman, Will; Sherrit, Stewart; Badescu, Mircea; Bar-Cohen, Yoseph; Jones, Christopher; Aldrich, Jack; Chang, Zensheu

2008-03-01

Piezoelectric acoustic-electric power feed-through devices transfer electric power wirelessly through a solid wall using elastic waves. This approach allows for the elimination of the need for holes through structures for cabling or electrical feed-thrus . The technology supplies power to electric equipment inside sealed containers, vacuum or pressure vessels, etc where holes in the wall are prohibitive or may result in significant performance degradation or requires complex designs. In the our previous work, 100-W of electric power was transferred through a metal wall by a small, piezoelectric device with a simple-structure. To meet requirements of higher power applications, the feasibility to transfer kilowatts level power was investigated. Pre-stressed longitudinal piezoelectric feed-thru devices were analyzed by finite element modeling. An equivalent circuit model was developed to predict the characteristics of power transfer to different electric loads. Based on the analytical results, a prototype device was designed, fabricated and successfully demonstrated to transfer electric power at a level of 1-kW. Methods of minimizing plate wave excitation on the wall were also analyzed. Both model analysis and experimental results are presented in detail in this paper.

METHODS FOR MULTI-SPATIAL SCALE CHARACTERIZATION OF RIPARIAN CORRIDORS

EPA Science Inventory

This paper describes the application of aerial photography and GIS technology to develop flexible and transferable methods for multi-spatial scale characterization and analysis of riparian corridors. Relationships between structural attributes of riparian corridors and indicator...

Thermal response of Space Shuttle wing during reentry heating

NASA Technical Reports Server (NTRS)

Gong, L.; Ko, W. L.; Quinn, R. D.

1984-01-01

A structural performance and resizing (SPAR) finite element thermal analysis computer program was used in the heat transfer analysis of the space shuttle orbiter that was subjected to reentry aerodynamic heatings. One wing segment of the right wing (WS 240) and the whole left wing were selected for the thermal analysis. Results showed that the predicted thermal protection system (TPS) temperatures were in good agreement with the space transportation system, trajectory 5 (STS-5) flight-measured temperatures. In addition, calculated aluminum structural temperatures were in fairly good agreement with the flight data up to the point of touchdown. Results also showed that the internal free convection had a considerable effect on the change of structural temperatures after touchdown.

A modified Finite Element-Transfer Matrix for control design of space structures

NASA Technical Reports Server (NTRS)

Tan, T.-M.; Yousuff, A.; Bahar, L. Y.; Konstandinidis, M.

1990-01-01

The Finite Element-Transfer Matrix (FETM) method was developed for reducing the computational efforts involved in structural analysis. While being widely used by structural analysts, this method does, however, have certain limitations, particularly when used for the control design of large flexible structures. In this paper, a new formulation based on the FETM method is presented. The new method effectively overcomes the limitations in the original FETM method, and also allows an easy construction of reduced models that are tailored for the control design. Other advantages of this new method include the ability to extract open loop frequencies and mode shapes with less computation, and simplification of the design procedures for output feedback, constrained compensation, and decentralized control. The development of this new method and the procedures for generating reduced models using this method are described in detail and the role of the reduced models in control design is discussed through an illustrative example.

Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation

NASA Astrophysics Data System (ADS)

Tan, Tien-Chye; Kracher, Daniel; Gandini, Rosaria; Sygmund, Christoph; Kittl, Roman; Haltrich, Dietmar; Hällberg, B. Martin; Ludwig, Roland; Divne, Christina

2015-07-01

A new paradigm for cellulose depolymerization by fungi focuses on an oxidative mechanism involving cellobiose dehydrogenases (CDH) and copper-dependent lytic polysaccharide monooxygenases (LPMO); however, mechanistic studies have been hampered by the lack of structural information regarding CDH. CDH contains a haem-binding cytochrome (CYT) connected via a flexible linker to a flavin-dependent dehydrogenase (DH). Electrons are generated from cellobiose oxidation catalysed by DH and shuttled via CYT to LPMO. Here we present structural analyses that provide a comprehensive picture of CDH conformers, which govern the electron transfer between redox centres. Using structure-based site-directed mutagenesis, rapid kinetics analysis and molecular docking, we demonstrate that flavin-to-haem interdomain electron transfer (IET) is enabled by a haem propionate group and that rapid IET requires a closed CDH state in which the propionate is tightly enfolded by DH. Following haem reduction, CYT reduces LPMO to initiate oxygen activation at the copper centre and subsequent cellulose depolymerization.

Crustal Properties Across the Mid-Continent Rift via Transfer Function Analysis

NASA Astrophysics Data System (ADS)

Frederiksen, A. W.; Tyomkin, Y.; Campbell, R.; van der Lee, S.; Zhang, H.

2015-12-01

The Mid-Continent Rift (MCR), a failed Proterozoic rift structure in central North America, is a dominant feature of North American gravity maps. The rift underwent a combination of extension, magmatism, and later compression, and it is difficult to predict how these events affected the overall crustal thickness and bulk composition in the vicinity of the rift axis, though the associated gravity high indicates that large-volume mafic magmatism took place. The Superior Province Rifting Earthscope Experiment (SPREE) project instrumented the MCR with Flexible Array broadband seismographs from 2011 through 2013 in Minnesota and Wisconsin, along two lines crossing the rift axis as well as a line following the axis. We examine teleseismic P-coda data from SPREE and nearby Transportable Array instruments using a new technique: transfer-function analysis. In this approach, possible models of crustal structure are used to generate a predicted transfer function relating the radial and vertical components of the P coda at a particular site. The transfer function then allows generation of a misfit (between the true radial component and a synthetic radial component predicted from the vertical trace) without the need to perform receiver-function deconvolution, thus avoiding the deconvolution problems encountered with receiver functions in sedimentary basins. We use the transfer-function approach to perform a grid search over three crustal properties: crustal thickness, crustal P/S velocity ratio, and the thickness of an overlying sedimentary basin. Results for our SPREE/TA data set indicate that the crust is significantly thickened along the rift axis, with maximum thicknesses approaching 50 km; the crust is thinner (ca. 40 km) outside of the rift zone. The crustal thickness structure is particularly complex beneath southeastern Minnesota, where very strong Moho topography is present, as well as up to 2 km of sediment; further north, the Moho is smoother and the basin is not present. P/S ratio varies along the rift axis, suggesting a higher mafic component (higher ratio) in southern Minnesota. The complexity we see along the MCR is consistent with the results obtained by Zhang et al. (this conference) using receiver function analysis.

Comparison of heat transfer coefficients of open micro-channels and plain micro-fins

NASA Astrophysics Data System (ADS)

Kaniowski, Robert; Pastuszko, Robert

2018-06-01

The paper describes results of analysis of pool boiling heat transfer on enhanced surfaces. Two types of structural surfaces were used: open microchannel surfaces consisting of a system of parallel micro-channels 0.3 mm wide, from 0.2 to 0.5 mm deep and with a pitch of 0.6 mm, and plain micro-fins 0.5 mm in height, uniformly spaced on the base surface with a spacing from 0.6 to1.5 mm. Pool boiling data at atmospheric pressure were obtained for saturated water, ethanol and FC-72. The effects of micro-channel/micro-fin dimensions on heat transfer coefficient in nucleate pool boiling were examined. Substantial enhancement of heat transfer coefficient was observed.

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

NASA Astrophysics Data System (ADS)

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-07-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices.

Increasing the electron-transfer ability of Cyanidioschyzon merolae ferredoxin by a one-point mutation – A high resolution and Fe-SAD phasing crystal structure analysis of the Asp58Asn mutant

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ueno, Yuko; Matsumoto, Takashi; Yamano, Akihito

2013-07-12

Highlights: •A single amino acid change on the ferredoxin surface affects electron transfer. •Precise positions of amide atoms were located utilizing no prior structural data. •Ultra high resolution and SAD phasing may be used for bias-free model building. -- Abstract: Cyanidioschyzon merolae (Cm) is a single cell red algae that grows in rather thermophilic (40–50 °C) and acidic (pH 1–3) conditions. Ferredoxin (Fd) was purified from this algae and characterized as a plant-type [2Fe–2S] Fd by physicochemical techniques. A high resolution (0.97 Å) three-dimensional structure of the CmFd D58N mutant molecule has been determined using the Fe-SAD phasing method tomore » clarify the precise position of the Asn58 amide, as this substitution increases the electron-transfer ability relative to wild-type CmFd by a factor of 1.5. The crystal structure reveals an electro-positive surface surrounding Asn58 that may interact with ferredoxin NADP{sup +} reductase or cytochrome c.« less

LSI arrays for space stations

NASA Technical Reports Server (NTRS)

Gassaway, J. D.

1976-01-01

Two approaches have been taken to study CCD's and some of their fundamental limitations. First a numerical analysis approach has been developed to solve the coupled transport and Poisson's equation for a thorough analysis of charge transfer in a CCD structure. The approach is formulated by treating the minority carriers as a surface distribution at the Si-SiO2 interface and setting up coupled difference equations for the charge and the potential. The SOR method is proposed for solving the two dimensional Poisson's equation for the potential. Methods are suggested for handling the discontinuities to improve convergence. Second, CCD shift registers were fabricated with parameters which should allow complete charge transfer independent of the transfer electrode gap width. A test instrument was designed and constructed which can be used to test this, or any similar, three phase CCD shift register.

Analysis of neuronal cells of dissociated primary culture on high-density CMOS electrode array

PubMed Central

Matsuda, Eiko; Mita, Takeshi; Hubert, Julien; Bakkum, Douglas; Frey, Urs; Hierlemann, Andreas; Takahashi, Hirokazu; Ikegami, Takashi

2017-01-01

Spontaneous development of neuronal cells was recorded around 4–34 days in vitro (DIV) with high-density CMOS array, which enables detailed study of the spatio-temporal activity of neuronal culture. We used the CMOS array to characterize the evolution of the inter-spike interval (ISI) distribution from putative single neurons, and estimate the network structure based on transfer entropy analysis, where each node corresponds to a single neuron. We observed that the ISI distributions gradually obeyed the power law with maturation of the network. The amount of information transferred between neurons increased at the early stage of development, but decreased as the network matured. These results suggest that both ISI and transfer entropy were very useful for characterizing the dynamic development of cultured neural cells over a few weeks. PMID:24109870

Three-Dimensional Structure of Boundary Layers in Transition to Turbulence.

DTIC Science & Technology

1987-06-24

a general parabolic velo- city distribution (4.4) Discussion of the relevance of these motions for the forced situation in the laminar sublayer of...areas of energy transfer with the symmetries of the various peak-valley splitting and subharmonic modes. Analysis of the global energy transfer over a ...expansion. At third order, we obtain a Landau con- stant that accounts for those nonlinear effects on the growth rate of the 3D mode that directly originate

A compilation and analysis of helicopter handling qualities data. Volume 2: Data analysis

NASA Technical Reports Server (NTRS)

Heffley, R. K.

1979-01-01

A compilation and an analysis of helicopter handling qualities data are presented. Multiloop manual control methods are used to analyze the descriptive data, stability derivatives, and transfer functions for a six degrees of freedom, quasi static model. A compensatory loop structure is applied to coupled longitudinal, lateral and directional equations in such a way that key handling qualities features are examined directly.

Insulation commonality assessment (phase 1). Volume 2: Section 7.0 through 16.0. [evaluation of materials used for spacecraft thermal insulation

NASA Technical Reports Server (NTRS)

1973-01-01

The heat transfer characteristics of various materials used for the thermal insulation of spacecraft are discussed. Techniques for conducting thermal performance analysis, structural performance analysis, and dynamic analysis are described. Processes for producing and finishing the materials are explained. The methods for determining reliability, system safety, materials tests, and design effectiveness are explained.

Top-Down Hydrogen-Deuterium Exchange Analysis of Protein Structures Using Ultraviolet Photodissociation.

PubMed

Brodie, Nicholas I; Huguet, Romain; Zhang, Terry; Viner, Rosa; Zabrouskov, Vlad; Pan, Jingxi; Petrotchenko, Evgeniy V; Borchers, Christoph H

2018-03-06

Top-down hydrogen-deuterium exchange (HDX) analysis using electron capture or transfer dissociation Fourier transform mass spectrometry (FTMS) is a powerful method for the analysis of secondary structure of proteins in solution. The resolution of the method is a function of the degree of fragmentation of backbone bonds in the proteins. While fragmentation is usually extensive near the N- and C-termini, electron capture (ECD) or electron transfer dissociation (ETD) fragmentation methods sometimes lack good coverage of certain regions of the protein, most often in the middle of the sequence. Ultraviolet photodissociation (UVPD) is a recently developed fast-fragmentation technique, which provides extensive backbone fragmentation that can be complementary in sequence coverage to the aforementioned electron-based fragmentation techniques. Here, we explore the application of electrospray ionization (ESI)-UVPD FTMS on an Orbitrap Fusion Lumos Tribrid mass spectrometer to top-down HDX analysis of proteins. We have incorporated UVPD-specific fragment-ion types and fragment-ion mixtures into our isotopic envelope fitting software (HDX Match) for the top-down HDX analysis. We have shown that UVPD data is complementary to ETD, thus improving the overall resolution when used as a combined approach.

Two-dimensional analysis of coupled heat and moisture transport in masonry structures

NASA Astrophysics Data System (ADS)

Krejčí, Tomáš

2016-06-01

Reconstruction and maintenance of historical buildings and bridges require good knowledge of temperature and moisture distribution. Sharp changes in the temperature and moisture can lead to damage. This paper describes analysis of coupled heat and moisture transfer in masonry based on two-level approach. Macro-scale level describes the whole structure while meso-scale level takes into account detailed composition of the masonry. The two-level approach is very computationally demanding and it was implemented in parallel. The two-level approach was used in analysis of temperature and moisture distribution in Charles bridge in Prague, Czech Republic.

Application of surface analysis to solve problems of wear

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1981-01-01

Results are presented for the use of surface analytical tools including field ion microscopy, Auger emission spectroscopy analysis (AES), cylindrical mirror Auger analysis and X-ray photoelectron spectroscopy (XPS). Data from the field ion microscope reveal adhesive transfer (wear) at the atomic level with the formation of surface compounds not found in the bulk, and AES reveals that this transfer will occur even in the presence of surface oxides. Both AES and XPS reveal that in abrasive wear with silicon carbide and diamond contacting the transition metals, the surface and the abrasive undergo a chemical or structural change which effects wear. With silicon carbide, silicon volatilizes leaving behind a pseudo-graphitic surface and the surface of diamond is observed to graphitize.

Spatial transferring of ecosystem services and property rights allocation of ecological compensation

NASA Astrophysics Data System (ADS)

Wen, Wujun; Xu, Geng; Wang, Xingjie

2011-09-01

Ecological compensation is an important means to maintain the sustainability and stability of ecosystem services. The property rights analysis of ecosystem services is indispensable when we implement ecological compensation. In this paper, ecosystem services are evaluated via spatial transferring and property rights analysis. Take the Millennium Ecosystem Assessment (MA) as an example, we attempt to classify the spatial structure of 31 categories of ecosystem services into four dimensions, i.e., local, regional, national and global ones, and divide the property rights structure into three types, i.e., private property rights, common property rights and state-owned property rights. Through the case study of forestry, farming industry, drainage area, development of mineral resources, nature reserves, functional areas, agricultural land expropriation, and international cooperation on ecological compensation, the feasible ecological compensation mechanism is illustrated under the spatial structure and property rights structure of the concerned ecosystem services. For private property rights, the ecological compensation mode mainly depends on the market mechanism. If the initial common property rights are "hidden," the implementation of ecological compensation mainly relies on the quota market transactions and the state investment under the state-owned property rights, and the fairness of property rights is thereby guaranteed through central administration.

Orbital transfer vehicle concept definition and system analysis study, 1985. Volume 5: Work breakdown structure and dictionary

NASA Technical Reports Server (NTRS)

Nelson, James H.; Callan, Daniel R.

1985-01-01

To establish consistency and visibility within the Orbital Transfer Vehicle (OTV) program, a preliminary work breakdown structure (WBS) and dictionary were developed. The dictionary contains definitions of terms to be used in conjunction with the WBS so that a clear understanding of the content of the hardware, function, and cost elements may be established. The OTV WBS matrix is a two-dimensional structure which shows the interrelationship of these dimensions: the hardware elements dimension and the phase and function dimension. The dimension of time cannot be shown graphically, but must be considered. Each cost entry varies with time so that it is necessary to know these cost values by year for budget planning and approval as well as for establishing cost streams for discounting purposes in the economic analysis. While a multiple dimensional approach may at first appear complex, it actually provides benefits which outweigh any concern. This structural interrelationship provides the capability to view and analyze the OTV costs from a number of different financial and management aspects. Cost may be summed by hardware groupings, phases, or functions. The WBS may be used in a number of dimensional or single listing format applications.

Numerical analysis on interactions between fluid flow and structure deformation in plate-fin heat exchanger by Galerkin method

NASA Astrophysics Data System (ADS)

Liu, Jing-cheng; Wei, Xiu-ting; Zhou, Zhi-yong; Wei, Zhen-wen

2018-03-01

The fluid-structure interaction performance of plate-fin heat exchanger (PFHE) with serrated fins in large scale air-separation equipment was investigated in this paper. The stress and deformation of fins were analyzed, besides, the interaction equations were deduced by Galerkin method. The governing equations of fluid flow and heat transfer in PFHE were deduced by finite volume method (FVM). The distribution of strain and stress were calculated in large scale air separation equipment and the coupling situation of serrated fins under laminar situation was analyzed. The results indicated that the interactions between fins and fluid flow in the exchanger have significant impacts on heat transfer enhancement, meanwhile, the strain and stress of fins includes dynamic pressure of the sealing head and flow impact with the increase of flow velocity. The impacts are especially significant at the conjunction of two fins because of the non-alignment fins. It can be concluded that the soldering process and channel width led to structure deformation of fins in the exchanger, and degraded heat transfer efficiency.

Progress in Developing Transfer Functions for Surface Scanning Eddy Current Inspections

NASA Astrophysics Data System (ADS)

Shearer, J.; Heebl, J.; Brausch, J.; Lindgren, E.

2009-03-01

As US Air Force (USAF) aircraft continue to age, additional inspections are required for structural components. The validation of new inspections typically requires a capability demonstration of the method using representative structure with representative damage. To minimize the time and cost required to prepare such samples, Electric Discharge machined (EDM) notches are commonly used to represent fatigue cracks in validation studies. However, the sensitivity to damage typically changes as a function of damage type. This requires a mathematical relationship to be developed between the responses from the two different flaw types to enable the use of EDM notched samples to validate new inspections. This paper reviews progress to develop transfer functions for surface scanning eddy current inspections of aluminum and titanium alloys found in structural aircraft components. Multiple samples with well characterized grown fatigue cracks and master gages with EDM notches, both with a range of flaw sizes, were used to collect flaw signals with USAF field inspection equipment. Analysis of this empirical data was used to develop a transfer function between the response from the EDM notches and grown fatigue cracks.

Generalised Transfer Functions of Neural Networks

NASA Astrophysics Data System (ADS)

Fung, C. F.; Billings, S. A.; Zhang, H.

1997-11-01

When artificial neural networks are used to model non-linear dynamical systems, the system structure which can be extremely useful for analysis and design, is buried within the network architecture. In this paper, explicit expressions for the frequency response or generalised transfer functions of both feedforward and recurrent neural networks are derived in terms of the network weights. The derivation of the algorithm is established on the basis of the Taylor series expansion of the activation functions used in a particular neural network. This leads to a representation which is equivalent to the non-linear recursive polynomial model and enables the derivation of the transfer functions to be based on the harmonic expansion method. By mapping the neural network into the frequency domain information about the structure of the underlying non-linear system can be recovered. Numerical examples are included to demonstrate the application of the new algorithm. These examples show that the frequency response functions appear to be highly sensitive to the network topology and training, and that the time domain properties fail to reveal deficiencies in the trained network structure.

A methodology for formulating a minimal uncertainty model for robust control system design and analysis

NASA Technical Reports Server (NTRS)

Belcastro, Christine M.; Chang, B.-C.; Fischl, Robert

1989-01-01

In the design and analysis of robust control systems for uncertain plants, the technique of formulating what is termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents the transfer function matrix M(s) of the nominal system, and delta represents an uncertainty matrix acting on M(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unstructured uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, and for real parameter variations the diagonal elements are real. As stated in the literature, this structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the literature addresses methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty. Since have a delta matrix of minimum order would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta model would be useful. A generalized method of obtaining a minimal M-delta structure for systems with real parameter variations is given.

Comparison of Requirements for Composite Structures for Aircraft and Space Applications

NASA Technical Reports Server (NTRS)

Raju, Ivatury S.; Elliott, Kenny B.; Hampton, Roy W.; Knight, Norman F., Jr.; Aggarwal, Pravin; Engelstad, Stephen P.; Chang, James B.

2010-01-01

In this paper, the aircraft and space vehicle requirements for composite structures are compared. It is a valuable exercise to study composite structural design approaches used in the airframe industry, and to adopt methodology that is applicable for space vehicles. The missions, environments, analysis methods, analysis validation approaches, testing programs, build quantities, inspection, and maintenance procedures used by the airframe industry, in general, are not transferable to spaceflight hardware. Therefore, while the application of composite design approaches from other industries is appealing, many aspects cannot be directly utilized. Nevertheless, experiences and research for composite aircraft structures may be of use in unexpected arenas as space exploration technology develops, and so continued technology exchanges are encouraged.

Research on soundproof properties of cylindrical shells of generalized phononic crystals

NASA Astrophysics Data System (ADS)

Liu, Ru; Shu, Haisheng; Wang, Xingguo

2017-04-01

Based on the previous studies, the concept of generalized phononic crystals (GPCs) is further introduced into the cylindrical shell structures in this paper. And a type of cylindrical shells of generalized phononic crystals (CS-GPCs) is constructed, the structural field and acoustic-structural coupled field of the composite cylindrical shells are examined respectively. For the structural field, the transfer matrix method of mechanical state vector is adopted to build the transfer matrix of radial waves propagating from inside to outside. For the acoustic-structural coupled field, the expressions of the acoustic transmission/reflection coefficients and the sound insulation of acoustic waves with the excitation of center line sound source are set up. And the acoustic transmission coefficient and the frequency response of sound insulation in this mode were numerical calculated. Furthermore, the theoretical analysis results are verified by using the method of combining the numerical calculation and finite element simulation. Finally, the effects of inner and outer fluid parameters on the transmission/reflection coefficients of CS-GPCs are analyzed in detail.

Determination of mass and heat transfer parameters during freeze-drying cycles of pharmaceutical products.

PubMed

Hottot, A; Vessot, S; Andrieu, J

2005-01-01

The principal aim of this study was to evaluate the water vapour mass transfer resistance of the dried layer and the vial heat transfer coefficient values of a pharmaceutical product during the primary drying period. First, overall vial heat transfer coefficient values, Kv, were determined by a gravimetric method based on pure ice sublimation experiments. Thus, it was possible to set up a map of the total heat flux received by each vial throughout the plate surface of our pilot scale freeze-dryer. Important heterogeneities were observed for the vials placed at the plate edges and for the vials placed at the center of the plate. As well, the same gravimetric method was also used to precisely determine the influence of main lyophilization operating parameters (shelf temperature and gas total pressure) or the vial types and sizes on these overall heat transfer coefficient values. A semi-empirical relationship as a function of total gas pressure was proposed. The transient method by pressure rise analysis (PRA method) after interrupting the water vapour flow between the sublimation chamber and the condenser, previously set up and validated in our laboratory, was then extensively used with an amorphous BSA-based formulation to identify the dried layer mass transfer resistance values, Rp, the ice front temperature, and the total heat transfer coefficient values, Kv, with or without annealing treatment. It was proved that this method gave accurate and coherent data only during the first half of the sublimation period when the totality of the vials of the set was still sublimating. Thus, this rapid method allowed estimation of, on line and in situ, the sublimation front temperature and the characterization of the morphology and structure of the freeze-dried layer, all along the first part of the sublimation period. The estimated sublimation temperatures shown by the PRA model were about 2 degrees C lower than the experimental values obtained using thermocouples inserted inside the vial, in accordance with previous data given by this method for similar freeze-drying conditions. As well, by using this method we could confirm the homogenization of the dried layer porous structure by annealing treatment after the freezing step. Furthermore, frozen matrix structure analysis (mean pore diameter) using optical microscopy and mass transfer modelling of water vapour by molecular diffusion (Knudsen regime) allowed, in some cases, to predict the experimental values of this overall mass transfer resistance directly related to the freeze-dried cake permeability.

Improving the durability of the optical fiber sensor based on strain transfer analysis

NASA Astrophysics Data System (ADS)

Wang, Huaping; Jiang, Lizhong; Xiang, Ping

2018-05-01

To realize the reliable and long-term strain detection, the durability of optical fiber sensors has attracted more and more attention. The packaging technique has been considered as an effective method, which can enhance the survival ratios of optical fiber sensors to resist the harsh construction and service environment in civil engineering. To monitor the internal strain of structures, the embedded installation is adopted. Due to the different material properties between host material and the protective layer, the monitored structure embedded with sensors can be regarded as a typical model containing inclusions. Interfacial characteristic between the sensor and host material exists obviously, and the contacted interface is prone to debonding failure induced by the large interfacial shear stress. To recognize the local interfacial debonding damage and extend the effective life cycle of the embedded sensor, strain transfer analysis of a general three-layered sensing model is conducted to investigate the failure mechanism. The perturbation of the embedded sensor on the local strain field of host material is discussed. Based on the theoretical analysis, the distribution of the interfacial shear stress along the sensing length is characterized and adopted for the diagnosis of local interfacial debonding, and the sensitive parameters influencing the interfacial shear stress are also investigated. The research in this paper explores the interfacial debonding failure mechanism of embedded sensors based on the strain transfer analysis and provides theoretical basis for enhancing the interfacial bonding properties and improving the durability of embedded optical fiber sensors.

Increased heat transfer to a cylindrical leading edge due to spanwise variations in the freestream velocity

NASA Technical Reports Server (NTRS)

Rigby, D. L.; Vanfossen, G. J.

1991-01-01

The present study numerically demonstrates how small spanwise variations in velocity upstream of a body can cause relatively large increases in the spanwise-averaged heat transfer to the leading edge. Vorticity introduced by spanwise variations, first decays as it drifts downstream, then amplifies in the stagnation region as a result of vortex stretching. This amplification can cause a periodic array of 3 D structures, similar to horseshoe vortices, to form. The numerical results indicate that, for the given wavelength, there is an amplitude threshold below which a structure does not form. A one-dimensional analysis, to predict the decay of vorticity in the absence of the body, in conjunction with the full numerical results indicated that the threshold is more accurately stated as minimum level of vorticity required in the leading edge region for a structure to form. It is possible, using the one-dimensional analysis, to compute an optimum wavelength in terms of the maximum vorticity reaching the leading edge region for given amplitude. A discussion is presented which relates experimentally observed trends to the trends of the present phenomena.

Aeroelastic Analysis Of Joined Wing Of High Altitude Long Endurance (HALE) Aircraft Based On The Sensor-Craft Configuration

NASA Astrophysics Data System (ADS)

Marisarla, Soujanya; Ghia, Urmila; "Karman" Ghia, Kirti

2002-11-01

Towards a comprehensive aeroelastic analysis of a joined wing, fluid dynamics and structural analyses are initially performed separately. Steady flow calculations are currently performed using 3-D compressible Navier-Stokes equations. Flow analysis of M6-Onera wing served to validate the software for the fluid dynamics analysis. The complex flow field of the joined wing is analyzed and the prevailing fluid dynamic forces are computed using COBALT software. Currently, these forces are being transferred as fluid loads on the structure. For the structural analysis, several test cases were run considering the wing as a cantilever beam; these served as validation cases. A nonlinear structural analysis of the wing is being performed using ANSYS software to predict the deflections and stresses on the joined wing. Issues related to modeling, and selecting appropriate mesh for the structure were addressed by first performing a linear analysis. The frequencies and mode shapes of the deformed wing are obtained from modal analysis. Both static and dynamic analyses are carried out, and the results obtained are carefully analyzed. Loose coupling between the fluid and structural analyses is currently being examined.

Design and analysis of composite structures with stress concentrations

NASA Technical Reports Server (NTRS)

Garbo, S. P.

1983-01-01

An overview of an analytic procedure which can be used to provide comprehensive stress and strength analysis of composite structures with stress concentrations is given. The methodology provides designer/analysts with a user-oriented procedure which, within acceptable engineering accuracy, accounts for the effects of a wide range of application design variables. The procedure permits the strength of arbitrary laminate constructions under general bearing/bypass load conditions to be predicted with only unnotched unidirectional strength and stiffness input data required. Included is a brief discussion of the relevancy of this analysis to the design of primary aircraft structure; an overview of the analytic procedure with theory/test correlations; and an example of the use and interaction of this strength analysis relative to the design of high-load transfer bolted composite joints.

Machine-Thermal Coupling Stresses Analysis of the Fin-Type Structural Thermoelectric Generator

NASA Astrophysics Data System (ADS)

Zhang, Zheng; Yue, Hao; Chen, Dongbo; Qin, Delei; Chen, Zijian

2017-05-01

The design structure and heat-transfer mechanism of a thermoelectric generator (TEG) determine its body temperature state. Thermal stress and thermal deformation generated by the temperature variation directly affect the stress state of thermoelectric modules (TEMs). Therefore, the rated temperature and pressing force of TEMs are important parameters in TEG design. Here, the relationships between structural of a fin-type TEG (FTEG) and these parameters are studied by modeling and "machine-thermal" coupling simulation. An indirect calculation method is adopted in the coupling simulation. First, numerical heat transfer calculations of a three-dimensional FTEG model are conducted according to an orthogonal simulation table. The influences of structural parameters for heat transfer in the channel and outer fin temperature distribution are analyzed. The optimal structural parameters are obtained and used to simulate temperature field of the outer fins. Second, taking the thermal calculation results as the initial condition, the thermal-solid coupling calculation is adopted. The thermal stresses of outer fin, mechanical force of spring-angle pressing mechanism, and clamping force on a TEM are analyzed. The simulation results show that the heat transfer area of the inner fin and the physical parameters of the metal materials are the keys to determining the FTEG temperature field. The pressing mechanism's mechanical force can be reduced by reducing the outer fin angle. In addition, a corrugated cooling water pipe, which has cooling and spring functionality, is conducive to establishing an adaptable clamping force to avoid the TEMs being crushed by the thermal stresses in the body.

A Transfer-in-Pieces Consideration of the Perception of Structure in the Transfer of Learning

ERIC Educational Resources Information Center

Wagner, Joseph F.

2010-01-01

Many approaches to the transfer problem argue that transfer depends on the recognition of the same or similar abstract "structure" in 2 different situations. However, mainstream cognitive perspectives and contrasting Piagetian constructivist accounts differ in their conceptualizations of structure. These differences, not clearly articulated in the…

A Herschel resolved debris disc around HD 105211

NASA Astrophysics Data System (ADS)

Hengst, S.; Marshall, J. P.; Horner, J.; Marsden, S. C.

2017-07-01

Debris discs are the dusty aftermath of planet formation processes around main-sequence stars. Analysis of these discs is often hampered by the absence of any meaningful constraint on the location and spatial extent of the disc around its host star. Multi-wavelength, resolved imaging ameliorates the degeneracies inherent in the modelling process, making such data indispensable in the interpretation of these systems. The Herschel Space Observatory observed HD 105211 (η Cru, HIP 59072) with its Photodetector Array Camera and Spectrometer (PACS) instrument in three far-infrared wavebands (70, 100 and 160 μm). Here we combine these data with ancillary photometry spanning optical to far-infrared wavelengths in order to determine the extent of the circumstellar disc. The spectral energy distribution and multi-wavelength resolved emission of the disc are simultaneously modelled using a radiative transfer and imaging codes. Analysis of the Herschel/PACS images reveals the presence of extended structure in all three PACS images. From a radiative transfer model we derive a disc extent of 87.0 ± 2.5 au, with an inclination of 70.7 ± 2.2° to the line of sight and a position angle of 30.1 ± 0.5°. Deconvolution of the Herschel images reveals a potential asymmetry but this remains uncertain as a combined radiative transfer and image analysis replicates both the structure and the emission of the disc using a single axisymmetric annulus.

Investigation of intrinsic and extrinsic defects effective role on producing intense red emission in ZnO:Eu nanostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Najafi, Mehrdad, E-mail: najafi@shahroodut.ac.ir; Haratizadeh, Hamid

2015-05-15

Highlights: • Effective role of defects on producing red emission at indirect excitation. • V{sub Zn} and V{sub O} defects have important role on energy transfer. • Mg related defects and Zn{sub i} defects were responsible for blue emission. • Extrinsic and intrinsic defects mediated energy transfer to sensitize Eu{sup 3+} ions. • Decrease of red emission because of diminishing in oxygen vacancy. - Abstract: Europium doped ZnO nanorads and nanosheets were synthesized by hydrothermal method. Effects of Mg doping, morphology and annealing in oxygen ambient on structural and optical properties of ZnO nanostructures were investigated using X-ray diffraction (XRD),more » particle size analysis (PSA), thermo gravimetric analysis (TGA), differential thermal analysis (DTA), differential thermo gravimetry (DTG), scanning electron microscopy (SEM) and photoluminescence spectroscopy (PL). This study recommends that both of intrinsic and extrinsic defects facilitate energy transfer (ET) from the ZnO host to Eu{sup 3+} ions and consequently have efficient role on producing intense red emission at indirect excitation. The results also showed that annealing process improved the crystal structure of ZnO nanosheets due to decrease of surface defects; however decreased ET and red emission because of diminishing in oxygen vacancy. In addition in ZnO nanorods sample with more surface area in comparison with ZnO nanosheets sample deep level emissions are enhanced.« less

MIMIC-compatible GaAs and InP field effect controlled transferred electron (FECTED) oscillators

NASA Astrophysics Data System (ADS)

Scheiber, Helmut; Luebke, Kurt; Diskus, Christian G.; Thim, Hartwig W.; Gruetzmacher, D.

1989-12-01

A MIMIC-(millimeter and microwave integrated circuit) compatible transferred electron oscillator is investigated which utilizes the frequency-independent negative resistance of the stationary charge dipole domain that forms in the channel of a MESFET. The device structure, analysis, and simulation are described. Devices fabricated from GaAs and InP exhibit very high power levels of 56 mW at 29 GHz and 55 mW at 34 GHz, respectively. Continuous wave power levels are somewhat lower (30 mW).

Effect on child cognitive function of increasing household expenditure in Indonesia: application of a marginal structural model and simulation of a cash transfer programme.

PubMed

Maika, Amelia; Mittinty, Murthy N; Brinkman, Sally; Lynch, John

2015-02-01

Parental investments in children are an important determinant of human capability formation. We investigated the causal effect of household expenditure on Indonesian children's cognitive function between 2000 and 2007. We also investigated the effect of change in mean cognitive function from a simulation of a hypothetical cash transfer intervention. A longitudinal analysis using data from the Indonesian Family Life Survey (IFLS) was conducted including 6136 children aged 7 to 14 years in 2000 and still alive in 2007. We used the inverse probability of treatment weighting of a marginal structural model to estimate the causal effect of household expenditure on children's cognitive function. Cumulative household expenditure was positively associated with cognitive function z-score. From the marginal structural model, a 74534 rupiah/month (about US$9) increase in household expenditure resulted in a 0.03 increase in cognitive function z-score [β=0.32, 95% confidence interval (CI) 0.30-0.35] Based on our simulations, among children in the poorest households in 2000 an additional ≈ US$6-10 of cash transfer resulted in a 0.01 unit increase in cognitive function z-score, equivalent to about 6% increase from the mean z-score prior to cash transfer. In contrast, children in the poorest household in 2007 did not benefit from an additional ≈ US$10 cash transfer. We found no overall effect of cash transfers at the total population level. Greater household expenditure had a small causal effect on children's cognitive function. Although cash transfer interventions had a positive effect for poor children, this effect was quite small. Multi-faceted interventions that combine nutrition, cash transfer, improved living conditions and women's education are required to benefit children's cognitive development in Indonesia. © The Author 2015; all rights reserved. Published by Oxford University Press on behalf of the International Epidemiological Association.

Discovering the electronic circuit diagram of life: structural relationships among transition metal binding sites in oxidoreductases

PubMed Central

Kim, J. Dongun; Senn, Stefan; Harel, Arye; Jelen, Benjamin I.; Falkowski, Paul G.

2013-01-01

Oxidoreductases play a central role in catalysing enzymatic electron-transfer reactions across the tree of life. To first order, the equilibrium thermodynamic properties of these proteins are governed by protein folds associated with specific transition metals and ligands at the active site. A global analysis of holoenzyme structures and functions suggests that there are fewer than approximately 500 fundamental oxidoreductases, which can be further clustered into 35 unique groups. These catalysts evolved in prokaryotes early in the Earth's history and are largely responsible for the emergence of non-equilibrium biogeochemical cycles on the planet's surface. Although the evolutionary history of the amino acid sequences in the oxidoreductases is very difficult to reconstruct due to gene duplication and horizontal gene transfer, the evolution of the folds in the catalytic sites can potentially be used to infer the history of these enzymes. Using a novel, yet simple analysis of the secondary structures associated with the ligands in oxidoreductases, we developed a structural phylogeny of these enzymes. The results of this ‘composome’ analysis suggest an early split from a basal set of a small group of proteins dominated by loop structures into two families of oxidoreductases, one dominated by α-helices and the second by β-sheets. The structural evolutionary patterns in both clades trace redox gradients and increased hydrogen bond energy in the active sites. The overall pattern suggests that the evolution of the oxidoreductases led to decreased entropy in the transition metal folds over approximately 2.5 billion years, allowing the enzymes to use increasingly oxidized substrates with high specificity. PMID:23754810

Development Of Metallic Thermal Protection System For The Expert Re-Entry Vehicle: Design Verification

NASA Astrophysics Data System (ADS)

Fatemi, Javad

2011-05-01

The thermal protection system of the EXPERT re-entry vehicle is subjected to accelerations, vibrations, acoustic and shock loads during launch and aero-heating loads and aerodynamic forces during re-entry. To fully understand the structural and thermomechanical performances of the TPS, heat transfer analysis, thermal stress analysis, and thermal buckling analysis must be performed. This requires complex three-dimensional thermal and structural models of the entire TPS including the insulation and sensors. Finite element (FE) methods are employed to assess the thermal and structural response of the TPS to the mechanical and aerothermal loads. The FE analyses results are used for the design verification and design improvement of the EXPERT thermal protection system.

Synaptic convergence regulates synchronization-dependent spike transfer in feedforward neural networks.

PubMed

Sailamul, Pachaya; Jang, Jaeson; Paik, Se-Bum

2017-12-01

Correlated neural activities such as synchronizations can significantly alter the characteristics of spike transfer between neural layers. However, it is not clear how this synchronization-dependent spike transfer can be affected by the structure of convergent feedforward wiring. To address this question, we implemented computer simulations of model neural networks: a source and a target layer connected with different types of convergent wiring rules. In the Gaussian-Gaussian (GG) model, both the connection probability and the strength are given as Gaussian distribution as a function of spatial distance. In the Uniform-Constant (UC) and Uniform-Exponential (UE) models, the connection probability density is a uniform constant within a certain range, but the connection strength is set as a constant value or an exponentially decaying function, respectively. Then we examined how the spike transfer function is modulated under these conditions, while static or synchronized input patterns were introduced to simulate different levels of feedforward spike synchronization. We observed that the synchronization-dependent modulation of the transfer function appeared noticeably different for each convergence condition. The modulation of the spike transfer function was largest in the UC model, and smallest in the UE model. Our analysis showed that this difference was induced by the different spike weight distributions that was generated from convergent synapses in each model. Our results suggest that, the structure of the feedforward convergence is a crucial factor for correlation-dependent spike control, thus must be considered important to understand the mechanism of information transfer in the brain.

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

PubMed Central

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-01-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices. PMID:26152705

Quantum chemical characterization of N-(2-hydroxybenzylidene)acetohydrazide (HBAH): a detailed vibrational and NLO analysis.

PubMed

Tamer, Ömer; Avcı, Davut; Atalay, Yusuf

2014-01-03

The molecular modeling of N-(2-hydroxybenzylidene)acetohydrazide (HBAH) was carried out using B3LYP, CAMB3LYP and PBE1PBE levels of density functional theory (DFT). The molecular structure of HBAH was solved by means of IR, NMR and UV-vis spectroscopies. In order to find the stable conformers, conformational analysis was performed based on B3LYP level. A detailed vibrational analysis was made on the basis of potential energy distribution (PED). HOMO and LUMO energies were calculated, and the obtained energies displayed that charge transfer occurs in HBAH. NLO analysis indicated that HBAH can be used as an effective NLO material. NBO analysis also proved that charge transfer, conjugative interactions and intramolecular hydrogen bonding interactions occur through HBAH. Additionally, major contributions from molecular orbitals to the electronic transitions were investigated theoretically. Copyright © 2013 Elsevier B.V. All rights reserved.

'They never talked to me about... ': Perspectives on aged care resident transfer to emergency departments.

PubMed

Arendts, Glenn; Popescu, Aurora; Howting, Denise; Quine, Susan; Howard, Kirsten

2015-06-01

To explore perspectives of three groups concerning transfers from aged care facilities to emergency departments. We sought to reveal factors influencing transfer decisions; how active each group was in making decisions; and to what extent groups ceded decision-making to others. Semi-structured interviews of 11 residents, 14 relatives and 17 staff with content analysis of interview transcripts. The three groups substantially differed in their involvement with initiating, and attitudes towards, transfer. Residents were least likely to be involved in the decision, yet most likely to support transfer. Staff felt conflicted between their desire to provide optimal treatment for one ill resident, and their obligations to other residents under care. Staff perspectives were largely consistent with published data, but we describe new results for other informant groups. Group expectations and preferences differ substantially. Service delivery to meet all preferences presents a challenge for health service design. © 2013 ACOTA.

Air Vehicle Integration and Technology Research (AVIATR). Task Order 0023: Predictive Capability for Hypersonic Structural Response and Life Prediction: Phase 2 - Detailed Design of Hypersonic Cruise Vehicle Hot-Structure

DTIC Science & Technology

2012-02-01

x Approved for public release; distribution unlimited. I-DEAS/ TMG Thermal analysis software IR Initial Review ITAR International Traffic in Arms...the finite element code I- DEAS/ TMG . A mesh refinement study was conducted on the first panel to determine the mesh density required to accurately...ng neer ng, pera ons ec no ogy oe ng esearc ec no ogy • heat transfer analysis conducted with I-DEAS/ TMG exercises mapping of temperatures to

Release strategies for making transferable semiconductor structures, devices and device components

DOEpatents

Rogers, John A; Nuzzo, Ralph G; Meitl, Matthew; Ko, Heung Cho; Yoon, Jongseung; Menard, Etienne; Baca, Alfred J

2014-11-25

Provided are methods for making a device or device component by providing a multilayer structure having a plurality of functional layers and a plurality of release layers and releasing the functional layers from the multilayer structure by separating one or more of the release layers to generate a plurality of transferable structures. The transferable structures are printed onto a device substrate or device component supported by a device substrate. The methods and systems provide means for making high-quality and low-cost photovoltaic devices, transferable semiconductor structures, (opto-)electronic devices and device components.

Release strategies for making transferable semiconductor structures, devices and device components

DOEpatents

Rogers, John A [Champaign, IL; Nuzzo, Ralph G [Champaign, IL; Meitl, Matthew [Raleigh, NC; Ko, Heung Cho [Urbana, IL; Yoon, Jongseung [Urbana, IL; Menard, Etienne [Durham, NC; Baca, Alfred J [Urbana, IL

2011-04-26

Provided are methods for making a device or device component by providing a multilayer structure having a plurality of functional layers and a plurality of release layers and releasing the functional layers from the multilayer structure by separating one or more of the release layers to generate a plurality of transferable structures. The transferable structures are printed onto a device substrate or device component supported by a device substrate. The methods and systems provide means for making high-quality and low-cost photovoltaic devices, transferable semiconductor structures, (opto-)electronic devices and device components.

Release strategies for making transferable semiconductor structures, devices and device components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rogers, John A.; Nuzzo, Ralph G.; Meitl, Matthew

2016-05-24

Provided are methods for making a device or device component by providing a multi layer structure having a plurality of functional layers and a plurality of release layers and releasing the functional layers from the multilayer structure by separating one or more of the release layers to generate a plurality of transferable structures. The transferable structures are printed onto a device substrate or device component supported by a device substrate. The methods and systems provide means for making high-quality and low-cost photovoltaic devices, transferable semiconductor structures, (opto-)electronic devices and device components.

Secure web book to store structural genomics research data.

PubMed

Manjasetty, Babu A; Höppner, Klaus; Mueller, Uwe; Heinemann, Udo

2003-01-01

Recently established collaborative structural genomics programs aim at significantly accelerating the crystal structure analysis of proteins. These large-scale projects require efficient data management systems to ensure seamless collaboration between different groups of scientists working towards the same goal. Within the Berlin-based Protein Structure Factory, the synchrotron X-ray data collection and the subsequent crystal structure analysis tasks are located at BESSY, a third-generation synchrotron source. To organize file-based communication and data transfer at the BESSY site of the Protein Structure Factory, we have developed the web-based BCLIMS, the BESSY Crystallography Laboratory Information Management System. BCLIMS is a relational data management system which is powered by MySQL as the database engine and Apache HTTP as the web server. The database interface routines are written in Python programing language. The software is freely available to academic users. Here we describe the storage, retrieval and manipulation of laboratory information, mainly pertaining to the synchrotron X-ray diffraction experiments and the subsequent protein structure analysis, using BCLIMS.

The effect of expatriate knowledge transfer on subsidiaries’ performance: a moderating role of absorptive capacity

NASA Astrophysics Data System (ADS)

Arsawan, I. W. E.; Sanjaya, I. B.; Putra, I. K. M.; Sukarta, I. W.

2018-01-01

This study aims to examine the relationship between motivation and knowledge transfer to the subsidiaries performance and test the role of absorptive capacity as a moderating variable. The research uses quantitative design through questionnaires distribution with 5 Likert scales. The population frame is five-star hotel in Bali province, Indonesia which amounted to 63 units, the sample of research using proportional random sampling is 54 units and determined the distribution of questionnaires to 162 subsidiaries as the unit of analysis. The research model was built using the structural equation model and analyzed with smart pls- 3 software. The findings of the study revealed that subsidiaries motivation a significant effect on knowledge transfer, knowledge transfer a significant effect on subsidiaries performance, motivation a significant effect on subsidiaries performance and absorptive capacity moderated the relationship between knowledge transfer and subsidiaries performance. These findings suggest that subsidiaries and process of knowledge transfer through absorptive capacity play an important role, and that they have some impact on the subsidiaries performance.

Interaction-component analysis of the hydration and urea effects on cytochrome c

NASA Astrophysics Data System (ADS)

Yamamori, Yu; Ishizuka, Ryosuke; Karino, Yasuhito; Sakuraba, Shun; Matubayasi, Nobuyuki

2016-02-01

Energetics was analyzed for cytochrome c in pure-water solvent and in a urea-water mixed solvent to elucidate the solvation effect in the structural variation of the protein. The solvation free energy was computed through all-atom molecular dynamics simulation combined with the solution theory in the energy representation, and its correlations were examined over sets of protein structures against the electrostatic and van der Waals components in the average interaction energy of the protein with the solvent and the excluded-volume component in the solvation free energy. It was observed in pure-water solvent that the solvation free energy varies in parallel to the electrostatic component with minor roles played by the van der Waals and excluded-volume components. The effect of urea on protein structure was then investigated in terms of the free-energy change upon transfer of the protein solute from pure-water solvent to the urea-water mixed solvent. The decomposition of the transfer free energy into the contributions from urea and water showed that the urea contribution is partially canceled by the water contribution and governs the total free energy of transfer. When correlated against the change in the solute-solvent interaction energy upon transfer and the corresponding changes in the electrostatic, van der Waals, and excluded-volume components, the transfer free energy exhibited strong correlations with the total change in the solute-solvent energy and its van der Waals component. The solute-solvent energy was decomposed into the contributions from the protein backbone and side chain, furthermore, and neither of the contributions was seen to be decisive in the correlation to the transfer free energy.

Thermal transfer structures coupling electronics card(s) to coolant-cooled structure(s)

DOEpatents

David, Milnes P; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Parida, Pritish R; Schmidt, Roger R

2014-12-16

Cooling apparatuses and coolant-cooled electronic systems are provided which include thermal transfer structures configured to engage with a spring force one or more electronics cards with docking of the electronics card(s) within a respective socket(s) of the electronic system. A thermal transfer structure of the cooling apparatus includes a thermal spreader having a first thermal conduction surface, and a thermally conductive spring assembly coupled to the conduction surface of the thermal spreader and positioned and configured to reside between and physically couple a first surface of an electronics card to the first surface of the thermal spreader with docking of the electronics card within a socket of the electronic system. The thermal transfer structure is, in one embodiment, metallurgically bonded to a coolant-cooled structure and facilitates transfer of heat from the electronics card to coolant flowing through the coolant-cooled structure.

Solid state lighting devices and methods with rotary cooling structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koplow, Jeffrey P.

Solid state lighting devices and methods for heat dissipation with rotary cooling structures are described. An example solid state lighting device includes a solid state light source, a rotating heat transfer structure in thermal contact with the solid state light source, and a mounting assembly having a stationary portion. The mounting assembly may be rotatably coupled to the heat transfer structure such that at least a portion of the mounting assembly remains stationary while the heat transfer structure is rotating. Examples of methods for dissipating heat from electrical devices, such as solid state lighting sources are also described. Heat dissipationmore » methods may include providing electrical power to a solid state light source mounted to and in thermal contact with a heat transfer structure, and rotating the heat transfer structure through a surrounding medium.« less

Systems identification technology development for large space systems

NASA Technical Reports Server (NTRS)

Armstrong, E. S.

1982-01-01

A methodology for synthesizinng systems identification, both parameter and state, estimation and related control schemes for flexible aerospace structures is developed with emphasis on the Maypole hoop column antenna as a real world application. Modeling studies of the Maypole cable hoop membrane type antenna are conducted using a transfer matrix numerical analysis approach. This methodology was chosen as particularly well suited for handling a large number of antenna configurations of a generic type. A dedicated transfer matrix analysis, both by virtue of its specialization and the inherently easy compartmentalization of the formulation and numerical procedures, is significantly more efficient not only in computer time required but, more importantly, in the time needed to review and interpret the results.

Mechanical characterization and structural analysis of recycled fiber-reinforced-polymer resin-transfer-molded beams

NASA Astrophysics Data System (ADS)

Tan, Eugene Wie Loon

1999-09-01

The present investigation was focussed on the mechanical characterization and structural analysis of resin-transfer-molded beams containing recycled fiber-reinforced polymers. The beams were structurally reinforced with continuous unidirectional glass fibers. The reinforcing filler materials consisted entirely of recycled fiber-reinforced polymer wastes (trim and overspray). The principal resin was a 100-percent dicyclo-pentadiene unsaturated polyester specially formulated with very low viscosity for resin transfer molding. Variations of the resin transfer molding technique were employed to produce specimens for material characterization. The basic materials that constituted the structural beams, continuous-glass-fiber-reinforced, recycled-trim-filled and recycled-overspray-filled unsaturated polyesters, were fully characterized in axial and transverse compression and tension, and inplane and interlaminar shear, to ascertain their strengths, ultimate strains, elastic moduli and Poisson's ratios. Experimentally determined mechanical properties of the recycled-trim-filled and recycled-overspray-filled materials from the present investigation were superior to those of unsaturated polyester polymer concretes and Portland cement concretes. Mechanical testing and finite element analyses of flexure (1 x 1 x 20 in) and beam (2 x 4 x 40 in) specimens were conducted. These structurally-reinforced specimens were tested and analyzed in four-point, third-point flexure to determine their ultimate loads, maximum fiber stresses and mid-span deflections. The experimentally determined load capacities of these specimens were compared to those of equivalent steel-reinforced Portland cement concrete beams computed using reinforced concrete theory. Mechanics of materials beam theory was utilized to predict the ultimate loads and mid-span deflections of the flexure and beam specimens. However, these predictions proved to be severely inadequate. Finite element (fracture propagation) analyses of the flexure and beam specimens were also performed. These progressive failure analyses more closely approximated flexural behavior under actual testing conditions by reducing the elastic moduli of elements that were considered to have partially or totally failed. Individual element failures were predicted using the maximum stress, Tsai-Hill and Tsai-Wu failure criteria. Excellent predictions of flexural behavior were attributed to the progressive failure analyses combined with an appropriate failure criterion, and the reliable input material properties that were generated.

Modeling and Simulations on the Intramural Thermoelectric Generator of Lower-Re-fluid

NASA Astrophysics Data System (ADS)

Zhang, Zheng; Zheng, Ding; Chen, Yushan

The thermoelectric conversion with lower Renault number (Re) fluid, such as waste heat from industry boiler, and engine's circled cooling water, which can be designed as intramural generator structure. In this research, a thermoelectric project analysis model and the description of an intensified system are presented, its generator with the aligned or staggered platoon structure has strengthened heat-transfer property, and the heat convection coefficient ratio has increased times than plain tube; For the fluid kinetic energy's loss is influenced by the whirlpool, the pressure difference is several hundred Pa level which changes along with geometric parameters of transform components; what's more, heat transfer area increase distinctly under the same generator volume, which has built the foundation for the enhancement output electric power.

Structural Basis for Certain Naturally Occurring Bioflavonoids to Function as Reducing Co-Substrates of Cyclooxygenase I and II

PubMed Central

Zhu, Bao Ting

2010-01-01

Background Recent studies showed that some of the dietary bioflavonoids can strongly stimulate the catalytic activity of cyclooxygenase (COX) I and II in vitro and in vivo, presumably by facilitating enzyme re-activation. In this study, we sought to understand the structural basis of COX activation by these dietary compounds. Methodology/Principal Findings A combination of molecular modeling studies, biochemical analysis and site-directed mutagenesis assay was used as research tools. Three-dimensional quantitative structure-activity relationship analysis (QSAR/CoMFA) predicted that the ability of bioflavonoids to activate COX I and II depends heavily on their B-ring structure, a moiety known to be associated with strong antioxidant ability. Using the homology modeling and docking approaches, we identified the peroxidase active site of COX I and II as the binding site for bioflavonoids. Upon binding to this site, bioflavonoid can directly interact with hematin of the COX enzyme and facilitate the electron transfer from bioflavonoid to hematin. The docking results were verified by biochemical analysis, which reveals that when the cyclooxygenase activity of COXs is inhibited by covalent modification, myricetin can still stimulate the conversion of PGG2 to PGE2, a reaction selectively catalyzed by the peroxidase activity. Using the site-directed mutagenesis analysis, we confirmed that Q189 at the peroxidase site of COX II is essential for bioflavonoids to bind and re-activate its catalytic activity. Conclusions/Significance These findings provide the structural basis for bioflavonoids to function as high-affinity reducing co-substrates of COXs through binding to the peroxidase active site, facilitating electron transfer and enzyme re-activation. PMID:20808785

A voxel based comparative analysis using magnetization transfer imaging and T1-weighted magnetic resonance imaging in progressive supranuclear palsy

PubMed Central

Sandhya, Mangalore; Saini, Jitender; Pasha, Shaik Afsar; Yadav, Ravi; Pal, Pramod Kumar

2014-01-01

Aims: In progressive supranuclear palsy (PSP) tissue damage occurs in specific cortical and subcortical regions. Voxel based analysis using T1-weighted images depict quantitative gray matter (GM) atrophy changes. Magnetization transfer (MT) imaging depicts qualitative changes in the brain parenchyma. The purpose of our study was to investigate whether MT imaging could indicate abnormalities in PSP. Settings and Design: A total of 10 patients with PSP (9 men and 1 woman) and 8 controls (5 men and 3 women) were studied with T1-weighted magnetic resonance imaging (MRI) and 3DMT imaging. Voxel based analysis of T1-weighted MRI was performed to investigate brain atrophy while MT was used to study qualitative abnormalities in the brain tissue. We used SPM8 to investigate group differences (with two sample t-test) using the GM and white matter (WM) segmented data. Results: T1-weighted imaging and MT are equally sensitive to detect changes in GM and WM in PSP. Magnetization transfer ratio images and magnetization-prepared rapid acquisition of gradient echo revealed extensive bilateral volume and qualitative changes in the orbitofrontal, prefrontal cortex and limbic lobe and sub cortical GM. The prefrontal structures involved were the rectal gyrus, medial, inferior frontal gyrus (IFG) and middle frontal gyrus (MFG). The anterior cingulate, cingulate gyrus and lingual gyrus of limbic lobe and subcortical structures such as caudate, thalamus, insula and claustrum were also involved. Cerebellar involvement mainly of anterior lobe was also noted. Conclusions: The findings suggest that voxel based MT imaging permits a whole brain unbiased investigation of central nervous system structural integrity in PSP. PMID:25024571

Experimental Verification of Integrity of Low-Pressure Injection Piles Structure - Pile Internal Capacity

NASA Astrophysics Data System (ADS)

Pachla, Henryk

2017-12-01

The idea of strengthening the foundation using injection piles lies in transferring loads from the foundation to the piles anchorage in existing structure and formed in the soil. Such a system has to be able to transfer loads from the foundation to the pile and from the pile onto the soil. Pile structure often reinforced with steel element has to also be able to transfer such a loading. According to the rules of continuum mechanics, the bearing capacity of such a system and a deformation of its individual elements can be determined by way of an analysis of the contact problem of three interfaces. Each of these surfaces is determined by different couples of materials. Those surfaces create: pile-foundation anchorage, bonding between reinforcement and material from which the pile is formed and pilesoil interface. What is essential is that on the contact surfaces the deformation of materials which adhere to each other can vary and depends on the mechanical properties and geometry of these surfaces. Engineering practice and experimental research point out that the failure in such structures occurs at interfaces. The paper is concentrating on presenting the experiments on interaction between cement grout and various types of steel reinforcement. The tests were conducted on the special low pressure injection piles widely used to strengthen foundations of already existing structures of historical buildings due to the technology of formation and injection pressure.

Protein Conformational Dynamics Probed by Single-Molecule Electron Transfer

NASA Astrophysics Data System (ADS)

Yang, Haw; Luo, Guobin; Karnchanaphanurach, Pallop; Louie, Tai-Man; Rech, Ivan; Cova, Sergio; Xun, Luying; Xie, X. Sunney

2003-10-01

Electron transfer is used as a probe for angstrom-scale structural changes in single protein molecules. In a flavin reductase, the fluorescence of flavin is quenched by a nearby tyrosine residue by means of photo-induced electron transfer. By probing the fluorescence lifetime of the single flavin on a photon-by-photon basis, we were able to observe the variation of flavin-tyrosine distance over time. We could then determine the potential of mean force between the flavin and the tyrosine, and a correlation analysis revealed conformational fluctuation at multiple time scales spanning from hundreds of microseconds to seconds. This phenomenon suggests the existence of multiple interconverting conformers related to the fluctuating catalytic reactivity.

Extend of magnetic field interference in the natural convection of diamagnetic nanofluid

NASA Astrophysics Data System (ADS)

Roszko, Aleksandra; Fornalik-Wajs, Elzbieta

2017-10-01

Main objective of the paper was to experimentally investigate the thermo-magnetic convection of diamagnetic fluids in the Rayleigh-Benard configuration. For better understanding of the magnetic field influence on the phenomena occurring in cubical enclosure the following parameters were studied: absence or presence of nanoparticles (single and two-phase fluids), thermal conditions (temperature difference range of 5-25 K) and magnetic field strength (magnetic induction range of 0-10 T). A multi-stage approach was undertaken to achieve the aim. The multi-stage approach means that the forces system, flow structure and heat transfer were considered. Without understanding the reasons (forces) and the fluid behaviour it would be impossible to analyse the exchanged heat rates through the Nusselt number distribution. The forces were determined at the starting moment, so the inertia force was not considered. The flow structure was identified due to the FFT analysis and it proved that magnetic field application changed the diamagnetic fluid behaviour, either single or two-phase. Going further, the heat transfer analysis revealed dependence of the Nusselt number on the flow structure and at the same time on the magnetic field. It can be said that imposed magnetic field changed the energy transfer within the system. In the paper, it was shown that each of presented steps were linked together and that only a comprehensive approach could lead to better understanding of magnetic field interference in the convection phenomenon.

Comparison of Requirements for Composite Structures for Aircraft and Space Applications

NASA Technical Reports Server (NTRS)

Raju, Ivatury S.; Elliot, Kenny B.; Hampton, Roy W.; Knight, Norman F., Jr.; Aggarwal, Pravin; Engelstad, Stephen P.; Chang, James B.

2010-01-01

In this report, the aircraft and space vehicle requirements for composite structures are compared. It is a valuable exercise to study composite structural design approaches used in the airframe industry and to adopt methodology that is applicable for space vehicles. The missions, environments, analysis methods, analysis validation approaches, testing programs, build quantities, inspection, and maintenance procedures used by the airframe industry, in general, are not transferable to spaceflight hardware. Therefore, while the application of composite design approaches from aircraft and other industries is appealing, many aspects cannot be directly utilized. Nevertheless, experiences and research for composite aircraft structures may be of use in unexpected arenas as space exploration technology develops, and so continued technology exchanges are encouraged.

Numerical Analysis of Heat Transfer During Quenching Process

NASA Astrophysics Data System (ADS)

Madireddi, Sowjanya; Krishnan, Krishnan Nambudiripad; Reddy, Ammana Satyanarayana

2018-04-01

A numerical model is developed to simulate the immersion quenching process of metals. The time of quench plays an important role if the process involves a defined step quenching schedule to obtain the desired characteristics. Lumped heat capacity analysis used for this purpose requires the value of heat transfer coefficient, whose evaluation requires large experimental data. Experimentation on a sample work piece may not represent the actual component which may vary in dimension. A Fluid-Structure interaction technique with a coupled interface between the solid (metal) and liquid (quenchant) is used for the simulations. Initial times of quenching shows boiling heat transfer phenomenon with high values of heat transfer coefficients (5000-2.5 × 105 W/m2K). Shape of the work piece with equal dimension shows less influence on the cooling rate Non-uniformity in hardness at the sharp corners can be reduced by rounding off the edges. For a square piece of 20 mm thickness, with 3 mm fillet radius, this difference is reduced by 73 %. The model can be used for any metal-quenchant combination to obtain time-temperature data without the necessity of experimentation.

Mechanistic Study of Oxygen Atom Transfer Catalyzed by Rhenium Compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shan, Xiaopeng

2003-01-01

Two ionic and one neutral methyl(oxo)rhenium(V) compounds were synthesized and structurally characterized. They were compared in reactivity towards the ligands triphenylphosphane, pyridines, pyridine N-oxides. Assistance from Broensted bases was found on ligand displacement of ionic rhenium compounds as well as nucleophile assistance on oxidation of all compounds. From the kinetic data, crystal structures, and an analysis of the intermediates, a structural formula of PicH +3 - and mechanisms of ligand displacement and oxidation were proposed.

Structural Damage Prediction and Analysis for Hypervelocity Impacts: Handbook

NASA Technical Reports Server (NTRS)

Elfer, N. C.

1996-01-01

This handbook reviews the analysis of structural damage on spacecraft due to hypervelocity impacts by meteoroid and space debris. These impacts can potentially cause structural damage to a Space Station module wall. This damage ranges from craters, bulges, minor penetrations, and spall to critical damage associated with a large hole, or even rupture. The analysis of damage depends on a variety of assumptions and the area of most concern is at a velocity beyond well controlled laboratory capability. In the analysis of critical damage, one of the key questions is how much momentum can actually be transfered to the pressure vessel wall. When penetration occurs without maximum bulging at high velocity and obliquities (if less momentum is deposited in the rear wall), then large tears and rupture may be avoided. In analysis of rupture effects of cylindrical geometry, biaxial loading, bending of the crack, a central hole strain rate and R-curve effects are discussed.

First-and Second-Order Displacement Transfer Functions for Structural Shape Calculations Using Analytically Predicted Surface Strains

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran

2012-01-01

New first- and second-order displacement transfer functions have been developed for deformed shape calculations of nonuniform cross-sectional beam structures such as aircraft wings. The displacement transfer functions are expressed explicitly in terms of beam geometrical parameters and surface strains (uniaxial bending strains) obtained at equally spaced strain stations along the surface of the beam structure. By inputting the measured or analytically calculated surface strains into the displacement transfer functions, one could calculate local slopes, deflections, and cross-sectional twist angles of the nonuniform beam structure for mapping the overall structural deformed shapes for visual display. The accuracy of deformed shape calculations by the first- and second-order displacement transfer functions are determined by comparing these values to the analytically predicted values obtained from finite element analyses. This comparison shows that the new displacement transfer functions could quite accurately calculate the deformed shapes of tapered cantilever tubular beams with different tapered angles. The accuracy of the present displacement transfer functions also are compared to those of the previously developed displacement transfer functions.

ARVs and cash too: caring and supporting people living with HIV/AIDS with the Malawi Social Cash Transfer.

PubMed

Miller, C; Tsoka, M G

2012-02-01

The Malawian Social Cash Transfer Scheme (SCT) is a social protection programme for ultra poor and labour-constrained households, including people living with HIV/AIDS (PLWHA). We aimed to gain insight into respondents' circumstances prior to becoming transfer beneficiaries and to examine how PLWHA used transfers to support themselves and their families. We conducted 24 semi-structured qualitative interviews with PLWHA who were also SCT beneficiaries and living in villages where the scheme was operational in 2008. Respondents were destitute and lacked food and basic necessities prior to the transfer. As cash recipients, the majority of respondents reported positive impacts on health, food security and economic well-being as well as an improved ability to care for their families. Important unanswered programmatic questions persist, such as 'What is the appropriate transfer level?' And 'Should recipients graduate from the scheme?' Moreover, the scheme's long-term sustainability is still unclear. Nevertheless, this analysis presents evidence describing how PLWHA used cash transfers to improve their situation and mitigate the impact of HIV/AIDS on families. © 2011 Blackwell Publishing Ltd.

Preparation and Structural Studies on Hybrid Core-Shell Nanoparticles Consisting of Silica Core and Conjugated Block Copolymer Shell Prepared by Surface-Initiated Polymerization

NASA Astrophysics Data System (ADS)

Chatterjee, Sourav; Karam, Tony; Rosu, Cornelia; Li, Xin; Do, Changwoo; Youm, Sang Gil; Haber, Louis; Russo, Paul; Nesterov, Evgueni

Controlled Kumada catalyst-transfer polymerization occurring by chain-growth mechanism was developed for the synthesis of conjugated polymers and block copolymers from the surface of inorganic substrates such as silica nanoparticles. Although synthesis of conjugated polymers via Kumada polymerization became an established method for solution polymerization, carrying out the same reaction in heterogeneous conditions to form monodisperse polymer chains still remains a challenge. We developed and described a simple and efficient approach to the preparation of surface-immobilized layer of catalytic Ni(II) initiator, and demonstrated using it to prepare polymers and block copolymers on silica nanoparticle. The structure of the resulting hybrid nanostructures was thoroughly studied using small-angle neutron and X-ray scattering, thermal analysis, and optical spectroscopy. The photoexcitation energy transfer processes in the conjugated polymer shell were studied via steady-state and time resolved transient absorption spectroscopy. This study uncovered important details of the energy transfer, which will be discussed in this presentation.

Transfer and capture into distant retrograde orbits

NASA Astrophysics Data System (ADS)

Scott, Christopher J.

This dissertation utilizes theory and techniques derived from the fields of dynamical systems theory, astrodyanamics, celestial mechanics, and fluid mechanics to analyze the phenomenon of satellite capture and interrelated spacecraft transfers in restricted three-body systems. The results extend current knowledge and understanding of capture dynamics in the context of astrodynamics and celestial mechanics. Manifold theory, fast Lyapunov indicator maps, and the classification of space structure facilitate an analysis of the transport of objects from the chaotic reaches of the solar system to the distant retrograde region in the sun-Jupiter system. Apart from past studies this dissertation considers the role of the complex lobe structure encompassing stable regions in the circular restricted three-body problem. These structures are shown to be responsible for the phenomenon of sticky orbits and the transport of objects among stable regions. Since permanent capture can only be achieved through a change in energy, fast Lyapunov indicator maps and other methods which reveal the structure of the conservative system are used to discern capture regions and identify the underpinnings of the dynamics. Fast Lyapunov indicator maps provide an accurate classification of orbits of permanent capture and escape, yet monopolize computational resources. In anticipation of a fully three-dimensional analysis in the dissipative system a new mapping parameter is introduced based on energy degradation and averaged velocity. Although the study specifically addresses the sun-Jupiter system, the qualitative results and devised techniques can be applied throughout the solar system and to capture about extrasolar planets. Extending the analysis beyond the exterior of the stable distant retrograde region fosters the construction of transfer orbits from low-Earth orbit to a stable periodic orbit at the center of the stable distant retrograde region. Key to this analysis is the predictability of collision orbits within the highly chaotic region commonly recognized as a saddle point on the energy manifold. The pragmatic techniques derived from this analysis solve a number of complications apparent in the literature. Notably a reliable methodology for the construction of an arbitrary number of transfer orbits circumvents the requirement of computing specialized periodic orbits or extensive numerical sampling of the phase space. The procedure provides a complete description of the design space accessing a wide range of distant retrograde orbits sizes, insertion points, and parking orbit altitudes in an automated manner. The transfers are studied in a similar fashion to periodic orbits unveiling the intimate relationship among design parameters and phase space structure. An arbitrary number of Earth return periodic orbits can be generated as a by-product. These orbits may be useful for spacecraft that must make a number of passes near the second primary without a reduction in energy. Further analysis of the lobe dynamics and a modification of the transfers to the center of the stable region yields sets of single impulse transfers to sticky distant retrograde orbits. It is shown that the evolution of the phase space structures with energy corresponds to the variation of capture time and target size. Capture phenomenon is related to the stability characteristics of the unstable periodic orbit and the geometry of the corresponding homoclinic tangle at various energies. Future spacecraft with little or no propulsive means may take advantage of these natural trajectories for operations in the region. Temporary capture along a sticky orbit may come before incremental stabilization of the spacecraft by way of a series of small impulsive or a low continuous thrust maneuvers. The requirements of small stabilization maneuver are calculated and compared to a direct transfer to the center of stable region. This mission design may be desirable as any failure in the classic set of maneuvers to the center of the stable region could result in the loss of the spacecraft. A simple low-thrust stabilization method is analyzed in a similar manner to nebular drag. It is shown that stabilization maneuvers initiated within the sticky region can be achieved via a simple control law. Moreover, the sticky region can be used as a staging point for both spiral-in and spiral-out maneuvers. For the spiral in maneuver this negates a large, initial maneuver required to reach the center of the stable region. It is shown that large lengths of orbits exist within the sticky regions which reliably lead to permanent capture. In the case of spiral-out the spacecraft is transported to a highly energetic yet stable orbit about the second primary. From here a small maneuver could allow the spacecraft to access other regions of the solar system.

Relative role of transfer zones in controlling sequence stacking patterns and facies distribution: insights from the Fushan Depression, South China Sea

NASA Astrophysics Data System (ADS)

Liu, Entao; Wang, Hua; Li, Yuan; Huang, Chuanyan

2015-04-01

In sedimentary basins, a transfer zone can be defined as a coordinated system of deformational features which has good prospects for hydrocarbon exploration. Although the term 'transfer zone' has been widely applied to the study of extensional basins, little attention has been paid to its controlling effect on sequence tracking pattern and depositional facies distribution. Fushan Depression is a half-graben rift sub-basin, located in the southeast of the Beibuwan Basin, South China Sea. In this study, comparative analysis of seismic reflection, palaeogeomorphology, fault activity and depositional facies distribution in the southern slope indicates that three different types of sequence stacking patterns (i.e. multi-level step-fault belt in the western area, flexure slope belt in the central area, gentle slope belt in the eastern area) were developed along the southern slope, together with a large-scale transfer zone in the central area, at the intersection of the western and eastern fault systems. Further analysis shows that the transfer zone played an important role in the diversity of sequence stacking patterns in the southern slope by dividing the Fushan Depression into two non-interfering tectonic systems forming different sequence patterns, and leading to the formation of the flexure slope belt in the central area. The transfer zone had an important controlling effect on not only the diversity of sequence tracking patterns, but also the facies distribution on the relay ramp. During the high-stand stage, under the controlling effect of the transfer zone, the sediments contain a significant proportion of coarser material accumulated and distributed along the ramp axis. By contrast, during the low-stand stage, the transfer zone did not seem to contribute significantly to the low-stand fan distribution which was mainly controlled by the slope gradient (palaeogeomorphology). Therefore, analysis of the transfer zone can provide a new perspective for basin analysis. In addition, the transfer zone area demonstrated unique hydrocarbon accumulation models different from the western and eastern areas. It was not only a structural high combined with sufficient coarse-grained reservoir quality sands, but was also associated with large-scale sublacustrine fan deposits with high quality reservoirs, indicating that the recognition of transfer zones can improve the prediction of hydrocarbon occurrences in similar settings.

High School Transfer Students and the Transition to College: Timing and the Structure of the School Year

ERIC Educational Resources Information Center

Sutton, April; Muller, Chandra; Langenkamp, Amy G.

2013-01-01

The timing of a high school transfer may shape students' transitions to college through its (mis)alignment with the structure of the school year. A transfer that occurs during the summer interrupts the four-year high school career, whereas a transfer that occurs midyear disrupts both the four-year high school career and the structure of the school…

Conformational switching upon phosphorylation: a predictive framework based on energy landscape principles.

PubMed

Lätzer, Joachim; Shen, Tongye; Wolynes, Peter G

2008-02-19

We investigate how post-translational phosphorylation modifies the global conformation of a protein by changing its free energy landscape using two test proteins, cystatin and NtrC. We first examine the changes in a free energy landscape caused by phosphorylation using a model containing information about both structural forms. For cystatin the free energy cost is fairly large indicating a low probability of sampling the phosphorylated conformation in a perfectly funneled landscape. The predicted barrier for NtrC conformational transition is several times larger than the barrier for cystatin, indicating that the switch protein NtrC most probably follows a partial unfolding mechanism to move from one basin to the other. Principal component analysis and linear response theory show how the naturally occurring conformational changes in unmodified proteins are captured and stabilized by the change of interaction potential. We also develop a partially guided structure prediction Hamiltonian which is capable of predicting the global structure of a phosphorylated protein using only knowledge of the structure of the unphosphorylated protein or vice versa. This algorithm makes use of a generic transferable long-range residue contact potential along with details of structure short range in sequence. By comparing the results obtained with this guided transferable potential to those from the native-only, perfectly funneled Hamiltonians, we show that the transferable Hamiltonian correctly captures the nature of the global conformational changes induced by phosphorylation and can sample substantially correct structures for the modified protein with high probability.

Assessment of existing Sierra/Fuego capabilities related to grid-to-rod-fretting (GTRF).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turner, Daniel Zack; Rodriguez, Salvador B.

2011-06-01

The following report presents an assessment of existing capabilities in Sierra/Fuego applied to modeling several aspects of grid-to-rod-fretting (GTRF) including: fluid dynamics, heat transfer, and fluid-structure interaction. We compare the results of a number of Fuego simulations with relevant sources in the literature to evaluate the accuracy, efficiency, and robustness of using Fuego to model the aforementioned aspects. Comparisons between flow domains that include the full fuel rod length vs. a subsection of the domain near the spacer show that tremendous efficiency gains can be obtained by truncating the domain without loss of accuracy. Thermal analysis reveals the extent tomore » which heat transfer from the fuel rods to the coolant is improved by the swirling flow created by the mixing vanes. Lastly, coupled fluid-structure interaction analysis shows that the vibrational modes of the fuel rods filter out high frequency turbulent pressure fluctuations. In general, these results allude to interesting phenomena for which further investigation could be quite fruitful.« less

Fluid Analysis and Improved Structure of an ATEG Heat Exchanger Based on Computational Fluid Dynamics

NASA Astrophysics Data System (ADS)

Tang, Z. B.; Deng, Y. D.; Su, C. Q.; Yuan, X. H.

2015-06-01

In this study, a numerical model has been employed to analyze the internal flow field distribution in a heat exchanger applied for an automotive thermoelectric generator based on computational fluid dynamics. The model simulates the influence of factors relevant to the heat exchanger, including the automotive waste heat mass flow velocity, temperature, internal fins, and back pressure. The result is in good agreement with experimental test data. Sensitivity analysis of the inlet parameters shows that increase of the exhaust velocity, compared with the inlet temperature, makes little contribution (0.1 versus 0.19) to the heat transfer but results in a detrimental back pressure increase (0.69 versus 0.21). A configuration equipped with internal fins is proved to offer better thermal performance compared with that without fins. Finally, based on an attempt to improve the internal flow field, a more rational structure is obtained, offering a more homogeneous temperature distribution, higher average heat transfer coefficient, and lower back pressure.

Synthesis, crystal structure and DFT studies of a dual fluorescent ketamine: Structural changes in the ground and excited states

NASA Astrophysics Data System (ADS)

Latha, V.; Balakrishnan, C.; Neelakantan, M. A.

2015-07-01

A fluorescent probe 2Z,2‧Z-3,3‧-(4,4‧-methylenebis(4,1-phenylene) bis(azanediyl))bis (1,3-diphenylprop-2-en-1-one) (L) was synthesized and characterized by IR, 1H NMR, ESI-mass, UV-visible and fluorescence spectral techniques. The single crystal analysis illustrates the existence of L in ketamine form. The crystal structure is stabilized by intramolecular and intermolecular hydrogen bonding. The thermal stability of L was studied by TG analysis. The fluorescence spectrum of L shows dual emission, and is due to excited state intramolecular proton transfer (ESIPT) process. This is supported by the high Stokes shift value. Electronic structure calculations of L in the ground and excited state have been carried out using DFT and TD-DFT at B3LYP/6-31G (d,p) level, respectively. The vibrational spectrum was computed at this level and compared with experimental values. Major orbital contributions for the electronic transitions were assigned with the help of TD-DFT. The changes in the Mulliken charge, bond lengths and bond angles between the ground and excited states of the tautomers demonstrate that twisted intramolecular charge transfer (TICT) process occurs along with ESIPT in the excited state.

High School Transfer Students and the Transition to College: Timing and the Structure of the School Year

PubMed Central

Sutton, April; Muller, Chandra; Langenkamp, Amy G.

2013-01-01

The timing of a high school transfer may shape students’ transitions to college through its (mis)alignment with the structure of the school year. A transfer that occurs during the summer interrupts the four-year high school career, whereas a transfer that occurs midyear disrupts both the four-year high school career and the structure of the school year. Using the Education Longitudinal Study of 2002 (ELS), the investigators find that the penalty suffered after the transfer depends on the degree to which students’ high school pathways synchronize with the curricular and extracurricular structure of the school year. Midyear transfer students appear to suffer the greatest postsecondary matriculation penalty. Students who transfer midyear are less likely to attend a four-year college compared with nontransfer and summer transfer students, whereas summer transfer students are less likely to attend a highly selective four-year college compared with their nontransfer counterparts. Curricular and extracurricular disruptions that transfer students experience after their school move explain some, but not all, of the negative associations observed between transferring and the transition to college. Directions for future research and the theoretical and policy implications of the results are discussed. PMID:24683277

Optical properties, excitation energy and primary charge transfer in photosystem II: theory meets experiment.

PubMed

Renger, Thomas; Schlodder, Eberhard

2011-01-01

In this review we discuss structure-function relationships of the core complex of photosystem II, as uncovered from analysis of optical spectra of the complex and its subunits. Based on descriptions of optical difference spectra including site directed mutagenesis we propose a revision of the multimer model of the symmetrically arranged reaction center pigments, described by an asymmetric exciton Hamiltonian. Evidence is provided for the location of the triplet state, the identity of the primary electron donor, the localization of the cation and the secondary electron transfer pathway in the reaction center. We also discuss the stationary and time-dependent optical properties of the CP43 and CP47 subunits and the excitation energy transfer and trapping-by-charge-transfer kinetics in the core complex. Copyright © 2011 Elsevier B.V. All rights reserved.

Transfer doping of single isolated nanodiamonds, studied by scanning probe microscopy techniques.

PubMed

Bolker, Asaf; Saguy, Cecile; Kalish, Rafi

2014-09-26

The transfer doping of diamond surfaces has been applied in various novel two-dimensional electronic devices. Its extension to nanodiamonds (ND) is essential for ND-based applications in many fields. In particular, understanding the influence of the crystallite size on transfer doping is desirable. Here, we report the results of a detailed study of the electronic energetic band structure of single, isolated transfer-doped nanodiamonds with nanometric resolution using a combination of scanning tunneling spectroscopy and Kelvin force microscopy measurements. The results show how the band gap, the valence band maximum, the electron affinity and the work function all depend on the ND's size and nanoparticle surface properties. The present analysis, which combines information from both scanning tunneling spectroscopy and Kelvin force microscopy, should be applicable to any nanoparticle or surface that can be measured with scanning probe techniques.

Preparation and spectroscopic studies on charge-transfer complexes of 2,2'-bipyridine with picric and chloranilic acids

NASA Astrophysics Data System (ADS)

Teleb, Said M.; Gaballa, Akmal S.

2005-11-01

Charge-transfer (CT) complexes formed on the reaction of 2,2'-bipyridine with some acceptors such as picric acid (HPA) and chloranilic acid (H 2CA) have been studied in CHCl 3 and MeOH at room temperature. Based on elemental analysis and IR spectra of the solid CT complexes along with the photometric titration curves for the reactions, the data obtained indicate the formation of 1:1 charge-transfer complexes [(bpyH)(PA)] and [(bpyH 2)(CA)], respectively. The infrared and 1H NMR spectroscopic data indicate a charge-transfer interaction associated with a proton migration from the acceptor to the donor followed by intramolecular hydrogen bonding. The formation constants ( KC) for the complexes were shown to be dependent on the structure of the electron acceptors used.

Preparation and spectroscopic studies on charge-transfer complexes of 2,2'-bipyridine with picric and chloranilic acids.

PubMed

Teleb, Said M; Gaballa, Akmal S

2005-11-01

Charge-transfer (CT) complexes formed on the reaction of 2,2'-bipyridine with some acceptors such as picric acid (HPA) and chloranilic acid (H(2)CA) have been studied in CHCl(3) and MeOH at room temperature. Based on elemental analysis and IR spectra of the solid CT complexes along with the photometric titration curves for the reactions, the data obtained indicate the formation of 1:1 charge-transfer complexes [(bpyH)(PA)] and [(bpyH(2))(CA)], respectively. The infrared and (1)H NMR spectroscopic data indicate a charge-transfer interaction associated with a proton migration from the acceptor to the donor followed by intramolecular hydrogen bonding. The formation constants (K(C)) for the complexes were shown to be dependent on the structure of the electron acceptors used.

Modes of Action of Acarbose Hydrolysis and Transglycosylation Catalyzed by a Thermostable Maltogenic Amylase, the Gene for Which Was Cloned from a Thermus Strain

PubMed Central

Kim, Tae-Jip; Kim, Myo-Jeong; Kim, Byung-Cheon; Kim, Jae-Cherl; Cheong, Tae-Kyou; Kim, Jung-Wan; Park, Kwan-Hwa

1999-01-01

A maltogenic amylase gene was cloned in Escherichia coli from a gram-negative thermophilic bacterium, Thermus strain IM6501. The gene encoded an enzyme (ThMA) with a molecular mass of 68 kDa which was expressed by the expression vector p6xHis119. The optimal temperature of ThMA was 60°C, which was higher than those of other maltogenic amylases reported so far. Thermal inactivation kinetic analysis of ThMA indicated that it was stabilized in the presence of 10 mM EDTA. ThMA harbored both hydrolysis and transglycosylation activities. It hydrolyzed β-cyclodextrin and starch mainly to maltose and pullulan to panose. ThMA not only hydrolyzed acarbose, an amylase inhibitor, to glucose and pseudotrisaccharide (PTS) but also transferred PTS to 17 sugar acceptors, including glucose, fructose, maltose, cellobiose, etc. Structural analysis of acarbose transfer products by using methylation, thin-layer chromatography, high-performance ion chromatography, and nuclear magnetic resonance indicated that PTS was transferred primarily to the C-6 of the acceptors and at lower degrees to the C-3 and/or C-4. The transglycosylation of sugar to methyl-α-d-glucopyranoside by forming an α-(1,3)-glycosidic linkage was demonstrated for the first time by using acarbose and ThMA. Kinetic analysis of the acarbose transfer products showed that the C-4 transfer product formed most rapidly but readily hydrolyzed, while the C-6 transfer product was stable and accumulated in the reaction mixture as the main product. PMID:10103262

[Research on Participation in Working Life: On the Transfer from Theory into Practice].

PubMed

Bartel, Susanne; Ohlbrecht, Heike

2018-06-01

This study focuses on the theory-practice transfer in the field of research on participation in working life (LTA). The aim was to determine what expectations are prevalent on the part of service providers, how they access scientific knowledge, how the transfer into practice takes place and what research gaps exist. At the same time, representatives of the German Statutory Pension Insurance were asked about internal structures for identifying research topics and evaluating research results as well as for knowledge transfer. The aim of the article is to address the relationship between research and practice in the field of LTA and to create a sensitivity for this topic. The results of this study are based on a written survey of 28 Vocational Training Institutes (BFW) of the Federal Association of Vocational Rehabilitation Centres (BV BFW) and on three expert interviews with representatives of pension insurance companies (federal and regional). The response rate of the BFW survey was approximately 54% (N=15). For the evaluation of data primarily qualitative content analysis was applied, which included a step by step coding of the data. The results of the survey indicate a pronounced need for translation processes and a culture of cooperation between research and practice. At the same time, a tension between the preservation of the autonomy of research and an increasing transfer orientation became evident. In addition, a wide range of approaches for structuring possible transfer activities could be identified. In the area of research on services for participation in working life, the development of a strategy for research transfer represents a future task. It is necessary to explore new communication structures and participatory research formats in which research groups and sponsors as well as practitioners can jointly carry out research in this field. © Georg Thieme Verlag KG Stuttgart · New York.

Structure Prediction and Analysis of DNA Transposon and LINE Retrotransposon Proteins*

PubMed Central

Abrusán, György; Zhang, Yang; Szilágyi, András

2013-01-01

Despite the considerable amount of research on transposable elements, no large-scale structural analyses of the TE proteome have been performed so far. We predicted the structures of hundreds of proteins from a representative set of DNA and LINE transposable elements and used the obtained structural data to provide the first general structural characterization of TE proteins and to estimate the frequency of TE domestication and horizontal transfer events. We show that 1) ORF1 and Gag proteins of retrotransposons contain high amounts of structural disorder; thus, despite their very low conservation, the presence of disordered regions and probably their chaperone function is conserved. 2) The distribution of SCOP classes in DNA transposons and LINEs indicates that the proteins of DNA transposons are more ancient, containing folds that already existed when the first cellular organisms appeared. 3) DNA transposon proteins have lower contact order than randomly selected reference proteins, indicating rapid folding, most likely to avoid protein aggregation. 4) Structure-based searches for TE homologs indicate that the overall frequency of TE domestication events is low, whereas we found a relatively high number of cases where horizontal transfer, frequently involving parasites, is the most likely explanation for the observed homology. PMID:23530042

Modern CACSD using the Robust-Control Toolbox

NASA Technical Reports Server (NTRS)

Chiang, Richard Y.; Safonov, Michael G.

1989-01-01

The Robust-Control Toolbox is a collection of 40 M-files which extend the capability of PC/PRO-MATLAB to do modern multivariable robust control system design. Included are robust analysis tools like singular values and structured singular values, robust synthesis tools like continuous/discrete H(exp 2)/H infinity synthesis and Linear Quadratic Gaussian Loop Transfer Recovery methods and a variety of robust model reduction tools such as Hankel approximation, balanced truncation and balanced stochastic truncation, etc. The capabilities of the toolbox are described and illustated with examples to show how easily they can be used in practice. Examples include structured singular value analysis, H infinity loop-shaping and large space structure model reduction.

Charge-transfer channel in quantum dot-graphene hybrid materials

NASA Astrophysics Data System (ADS)

Cao, Shuo; Wang, Jingang; Ma, Fengcai; Sun, Mengtao

2018-04-01

The energy band theory of a classical semiconductor can qualitatively explain the charge-transfer process in low-dimensional hybrid colloidal quantum dot (QD)-graphene (GR) materials; however, the definite charge-transfer channels are not clear. Using density functional theory (DFT) and time-dependent DFT, we simulate the hybrid QD-GR nanostructure, and by constructing its orbital interaction diagram, we show the quantitative coupling characteristics of the molecular orbitals (MOs) of the hybrid structure. The main MOs are derived from the fragment MOs (FOs) of GR, and the Cd13Se13 QD FOs merge with the GR FOs in a certain proportion to afford the hybrid system. Upon photoexcitation, electrons in the GR FOs jump to the QD FOs, leaving holes in the GR FOs, and the definite charge-transfer channels can be found by analyzing the complex MOs coupling. The excited electrons and remaining holes can also be localized in the GR or the QD or transfer between the QD and GR with different absorption energies. The charge-transfer process for the selected excited states of the hybrid QD-GR structure are testified by the charge difference density isosurface. The natural transition orbitals, charge-transfer length analysis and 2D site representation of the transition density matrix also verify the electron-hole delocalization, localization, or coherence chacracteristics of the selected excited states. Therefore, our research enhances understanding of the coupling mechanism of low-dimensional hybrid materials and will aid in the design and manipulation of hybrid photoelectric devices for practical application in many fields.

Charge-transfer channel in quantum dot-graphene hybrid materials.

PubMed

Cao, Shuo; Wang, Jingang; Ma, Fengcai; Sun, Mengtao

2018-04-06

The energy band theory of a classical semiconductor can qualitatively explain the charge-transfer process in low-dimensional hybrid colloidal quantum dot (QD)-graphene (GR) materials; however, the definite charge-transfer channels are not clear. Using density functional theory (DFT) and time-dependent DFT, we simulate the hybrid QD-GR nanostructure, and by constructing its orbital interaction diagram, we show the quantitative coupling characteristics of the molecular orbitals (MOs) of the hybrid structure. The main MOs are derived from the fragment MOs (FOs) of GR, and the Cd 13 Se 13 QD FOs merge with the GR FOs in a certain proportion to afford the hybrid system. Upon photoexcitation, electrons in the GR FOs jump to the QD FOs, leaving holes in the GR FOs, and the definite charge-transfer channels can be found by analyzing the complex MOs coupling. The excited electrons and remaining holes can also be localized in the GR or the QD or transfer between the QD and GR with different absorption energies. The charge-transfer process for the selected excited states of the hybrid QD-GR structure are testified by the charge difference density isosurface. The natural transition orbitals, charge-transfer length analysis and 2D site representation of the transition density matrix also verify the electron-hole delocalization, localization, or coherence chacracteristics of the selected excited states. Therefore, our research enhances understanding of the coupling mechanism of low-dimensional hybrid materials and will aid in the design and manipulation of hybrid photoelectric devices for practical application in many fields.

Information structure and organisation in change of shift reports: An observational study of nursing hand-offs in a Paediatric Intensive Care Unit.

PubMed

Foster-Hunt, Tara; Parush, Avi; Ellis, Jacqueline; Thomas, Margot; Rashotte, Judy

2015-06-01

Patient hand-offs involve the exchange of critical information. Ineffective hand-offs can result in reduced patient safety by leading to wrong treatment, delayed diagnoses or other outcomes that can negatively affect the healthcare system. The objectives of this study were to uncover the structure of the information conveyed during patient hand-offs and look for principles characterising the organisation of the information. With an observational study approach, data was gathered during the morning and evening nursing change of shift hand-offs in a Paediatric Intensive Care Unit. Content analysis identified a common meta-structure used for information transfer that contained categories with varying degrees of information integration and the repetition of high consequence information. Differences were found in the organisation of the hand-off structures, and these varied as a function of nursing experience. The findings are discussed in terms of the potential benefits of computerised tools which utilise standardised structure for information transfer and the implications for future education and critical care skill acquisition. Copyright © 2014 Elsevier Ltd. All rights reserved.

Structure of the cobalamin-binding protein of a putative O-demethylase from Desulfitobacterium hafniense DCB-2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sjuts, Hanno; Dunstan, Mark S.; Fisher, Karl

2013-08-01

The first crystal structure of the vitamin B12-binding protein from a three-component O-demethylase enzyme system is reported. During O-demethylation methyl groups are transferred from phenyl methyl ethers to tetrahydrofolate via methyl-B12 intermediates. This study describes the identification and the structural and spectroscopic analysis of a cobalamin-binding protein (termed CobDH) implicated in O-demethylation by the organohalide-respiring bacterium Desulfitobacterium hafniense DCB-2. The 1.5 Å resolution crystal structure of CobDH is presented in the cobalamin-bound state and reveals that the protein is composed of an N-terminal helix-bundle domain and a C-terminal Rossmann-fold domain, with the cobalamin coordinated in the base-off/His-on conformation similar tomore » other cobalamin-binding domains that catalyse methyl-transfer reactions. EPR spectroscopy of CobDH confirms cobalamin binding and reveals the presence of a cob(III)alamin superoxide, indicating binding of oxygen to the fully oxidized cofactor. These data provide the first structural insights into the methyltransferase reactions that occur during O-demethylation by D. hafniense.« less

Murt user`s guide: A hybrid Lagrangian-Eulerian finite element model of multiple-pore-region solute transport through subsurface media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gwo, J.P.; Jardine, P.M.; Yeh, G.T.

Matrix diffusion, a diffusive mass transfer process,in the structured soils and geologic units at ORNL, is believe to be an important subsurface mass transfer mechanism; it may affect off-site movement of radioactive wastes and remediation of waste disposal sites by locally exchanging wastes between soil/rock matrix and macropores/fractures. Advective mass transfer also contributes to waste movement but is largely neglected by researchers. This report presents the first documented 2-D multiregion solute transport code (MURT) that incorporates not only diffusive but also advective mass transfer and can be applied to heterogeneous porous media under transient flow conditions. In this report, theoreticalmore » background is reviewed and the derivation of multiregion solute transport equations is presented. Similar to MURF (Gwo et al. 1994), a multiregion subsurface flow code, multiplepore domains as suggested by previous investigators (eg, Wilson and Luxmoore 1988) can be implemented in MURT. Transient or steady-state flow fields of the pore domains can be either calculated by MURF or by modelers. The mass transfer process is briefly discussed through a three-pore-region multiregion solute transport mechanism. Mass transfer equations that describe mass flux across pore region interfaces are also presented and parameters needed to calculate mass transfer coefficients detailed. Three applications of MURT (tracer injection problem, sensitivity analysis of advective and diffusive mass transfer, hillslope ponding infiltration and secondary source problem) were simulated and results discussed. Program structure of MURT and functions of MURT subroutiness are discussed so that users can adapt the code; guides for input data preparation are provided in appendices.« less

Recursive thoughts on the simulation of the flexible multibody dynamics of slender offshore structures

NASA Astrophysics Data System (ADS)

Schilder, J.; Ellenbroek, M.; de Boer, A.

2017-12-01

In this work, the floating frame of reference formulation is used to create a flexible multibody model of slender offshore structures such as pipelines and risers. It is shown that due to the chain-like topology of the considered structures, the equation of motion can be expressed in terms of absolute interface coordinates. In the presented form, kinematic constraint equations are satisfied explicitly and the Lagrange multipliers are eliminated from the equations. Hence, the structures can be conveniently coupled to finite element or multibody models of for example seabed and vessel. The chain-like topology enables the efficient use of recursive solution procedures for both transient dynamic analysis and equilibrium analysis. For this, the transfer matrix method is used. In order to improve the convergence of the equilibrium analysis, the analytical solution of an ideal catenary is used as an initial configuration, reducing the number of required iterations.

Integration of Design, Thermal, Structural, and Optical Analysis, Including Thermal Animation

NASA Technical Reports Server (NTRS)

Amundsen, Ruth M.

1993-01-01

In many industries there has recently been a concerted movement toward 'quality management' and the issue of how to accomplish work more efficiently. Part of this effort is focused on concurrent engineering; the idea of integrating the design and analysis processes so that they are not separate, sequential processes (often involving design rework due to analytical findings) but instead form an integrated system with smooth transfers of information. Presented herein are several specific examples of concurrent engineering methods being carried out at Langley Research Center (LaRC): integration of thermal, structural and optical analyses to predict changes in optical performance based on thermal and structural effects; integration of the CAD design process with thermal and structural analyses; and integration of analysis and presentation by animating the thermal response of a system as an active color map -- a highly effective visual indication of heat flow.

Thermo-mechanical analysis of an internal cooling system with various configurations of a combustion liner after shell

NASA Astrophysics Data System (ADS)

Moon, Hokyu; Kim, Kyung Min; Park, Jun Su; Kim, Beom Seok; Cho, Hyung Hee

2015-12-01

The after-shell section, which is part of the gas turbine combustion liner, is exposed to the hottest combustion gas. Various cooling schemes have been applied to protect against severe thermal load. However, there is a significant discrepancy in the thermal expansion with large temperature differences, resulting in thermo-mechanical crack formation. In this study, to reduce combustion liner damage, thermo-mechanical analysis was conducted on three after-shell section configurations: inline-discrete divider wall, staggered divider wall, and swirler wall arrays. These array components are well-known heat-transfer enhancement structures in the duct. In the numerical analyses, the heat transfer characteristics, temperature and thermo-mechanical stress distribution were evaluated using finite volume method and finite element method commercial codes. As a result, we demonstrated that the temperature and the thermo-mechanical stress distribution were readily dependent on the structural array for cooling effectiveness and structural support in each modified cooling system. Compared with the reference model, the swirler wall array was most effective in diminishing the thermo-mechanical stress concentration, especially on the inner ring that is vulnerable to crack formation.

Ready to use bioinformatics analysis as a tool to predict immobilisation strategies for protein direct electron transfer (DET).

PubMed

Cazelles, R; Lalaoui, N; Hartmann, T; Leimkühler, S; Wollenberger, U; Antonietti, M; Cosnier, S

2016-11-15

Direct electron transfer (DET) to proteins is of considerable interest for the development of biosensors and bioelectrocatalysts. While protein structure is mainly used as a method of attaching the protein to the electrode surface, we employed bioinformatics analysis to predict the suitable orientation of the enzymes to promote DET. Structure similarity and secondary structure prediction were combined underlying localized amino-acids able to direct one of the enzyme's electron relays toward the electrode surface by creating a suitable bioelectrocatalytic nanostructure. The electro-polymerization of pyrene pyrrole onto a fluorine-doped tin oxide (FTO) electrode allowed the targeted orientation of the formate dehydrogenase enzyme from Rhodobacter capsulatus (RcFDH) by means of hydrophobic interactions. Its electron relays were directed to the FTO surface, thus promoting DET. The reduction of nicotinamide adenine dinucleotide (NAD(+)) generating a maximum current density of 1μAcm(-2) with 10mM NAD(+) leads to a turnover number of 0.09electron/s/molRcFDH. This work represents a practical approach to evaluate electrode surface modification strategies in order to create valuable bioelectrocatalysts. Copyright © 2016 Elsevier B.V. All rights reserved.

Horizontally transferred genes in the genome of Pacific white shrimp, Litopenaeus vannamei

PubMed Central

2013-01-01

Background In recent years, as the development of next-generation sequencing technology, a growing number of genes have been reported as being horizontally transferred from prokaryotes to eukaryotes, most of them involving arthropods. As a member of the phylum Arthropoda, the Pacific white shrimp Litopenaeus vannamei has to adapt to the complex water environments with various symbiotic or parasitic microorganisms, which provide a platform for horizontal gene transfer (HGT). Results In this study, we analyzed the genome-wide HGT events in L. vannamei. Through homology search and phylogenetic analysis, followed by experimental PCR confirmation, 14 genes with HGT event were identified: 12 of them were transferred from bacteria and two from fungi. Structure analysis of these genes showed that the introns of the two fungi-originated genes were substituted by shrimp DNA fragment, two genes transferred from bacteria had shrimp specific introns inserted in them. Furthermore, around other three bacteria-originated genes, there were three large DNA segments inserted into the shrimp genome. One segment was a transposon that fully transferred, and the other two segments contained only coding regions of bacteria. Functional prediction of these 14 genes showed that 6 of them might be related to energy metabolism, and 4 others related to defense of the organism. Conclusions HGT events from bacteria or fungi were happened in the genome of L. vannamei, and these horizontally transferred genes can be transcribed in shrimp. This is the first time to report the existence of horizontally transferred genes in shrimp. Importantly, most of these genes are exposed to a negative selection pressure and appeared to be functional. PMID:23914989

Directional moisture transfer through a wild silkworm cocoon wall.

PubMed

Jin, Xing; Zhang, Jin; Gao, Weimin; Du, Shan; Li, Jingliang; Wang, Xungai

2016-06-25

A silkworm cocoon is a porous biological structure with multiple protective functions. In the current work, the authors have used both experimental and numerical methods to reveal the unique moisture transfer characteristics through a wild Antheraea pernyi silkworm cocoon wall, in comparison with the long-domesticated Bombyx mori silkworm cocoon walls. The water vapor transmission and water vapor permeability (WVP) properties show that the A. pernyi cocoons exhibit directional moisture transfer behavior, with easier moisture transfer from inside out than outside in [e.g., the average WVP is 0.057 g/(h m bar) from inside out and is 0.034 g/(h m bar) from outside in]. Numerical analysis shows that the cubic mineral crystals in the outer section of the A. pernyi cocoon wall create a rough surface that facilitates air turbulence and promotes disturbance amplitude of the flow field, leading to lengthened water vapor transfer path and increased tortuosity of the moist air. It also indicates the vortex of water vapor can be generated in the outer section of cocoon wall, which increases the diffusion distance of water vapor and enhances the turbulence kinetic energy and turbulence eddy dissipation, signifying higher moisture resistance in the outer section. The difference in moisture resistance of the multiple A. pernyi cocoon layers is largely responsible for the unique directional moisture transfer behavior of this wild silkworm cocoon. These findings may inspire a biomimicry approach to develop novel lightweight moisture management materials and structures.

Method of transferring strained semiconductor structure

DOEpatents

Nastasi, Michael A [Santa Fe, NM; Shao, Lin [College Station, TX

2009-12-29

The transfer of strained semiconductor layers from one substrate to another substrate involves depositing a multilayer structure on a substrate having surface contaminants. An interface that includes the contaminants is formed in between the deposited layer and the substrate. Hydrogen atoms are introduced into the structure and allowed to diffuse to the interface. Afterward, the deposited multilayer structure is bonded to a second substrate and is separated away at the interface, which results in transferring a multilayer structure from one substrate to the other substrate. The multilayer structure includes at least one strained semiconductor layer and at least one strain-induced seed layer. The strain-induced seed layer can be optionally etched away after the layer transfer.

Programs for transferring data between a relational data base and a finite element structural analysis program

NASA Technical Reports Server (NTRS)

Johnson, S. C.

1982-01-01

An interface system for passing data between a relational information management (RIM) data base complex and engineering analysis language (EAL), a finite element structural analysis program is documented. The interface system, implemented on a CDC Cyber computer, is composed of two FORTRAN programs called RIM2EAL and EAL2RIM. The RIM2EAL reads model definition data from RIM and creates a file of EAL commands to define the model. The EAL2RIM reads model definition and EAL generated analysis data from EAL's data library and stores these data dirctly in a RIM data base. These two interface programs and the format for the RIM data complex are described.

Technology utilization office data base analysis and design

NASA Technical Reports Server (NTRS)

Floyd, Stephen A.

1993-01-01

NASA Headquarters is placing a high priority on the transfer of NASA and NASA contractor developed technologies and expertise to the private sector and to other federal, state and local government organizations. The ultimate objective of these efforts is positive economic impact, an improved quality of life, and a more competitive U.S. posture in international markets. The Technology Utilization Office (TUO) currently serves seven states with its technology transfer efforts. Since 1989, the TUO has handled over one-thousand formal requests for NASA related technologies assistance. The technology transfer process requires promoting public awareness of NASA related soliciting requests for assistance, matching technologies to specific needs, assuring appropriate technology transfer, and monitoring and evaluating the process. Each of these activities have one very important aspect in common: the success of each is dissemination of appropriate high quality information. The purpose of the research was to establish the requirements and develop a preliminary design for a database system to increase the effectiveness and efficiency of the TUO's technology transfer function. The research was conducted following the traditional systems development life cycle methodology and was supported through the use of modern structured analysis techniques. The next section will describe the research and findings as conducted under the life cycle approach.

Code for Multiblock CFD and Heat-Transfer Computations

NASA Technical Reports Server (NTRS)

Fabian, John C.; Heidmann, James D.; Lucci, Barbara L.; Ameri, Ali A.; Rigby, David L.; Steinthorsson, Erlendur

2006-01-01

The NASA Glenn Research Center General Multi-Block Navier-Stokes Convective Heat Transfer Code, Glenn-HT, has been used extensively to predict heat transfer and fluid flow for a variety of steady gas turbine engine problems. Recently, the Glenn-HT code has been completely rewritten in Fortran 90/95, a more object-oriented language that allows programmers to create code that is more modular and makes more efficient use of data structures. The new implementation takes full advantage of the capabilities of the Fortran 90/95 programming language. As a result, the Glenn-HT code now provides dynamic memory allocation, modular design, and unsteady flow capability. This allows for the heat-transfer analysis of a full turbine stage. The code has been demonstrated for an unsteady inflow condition, and gridding efforts have been initiated for a full turbine stage unsteady calculation. This analysis will be the first to simultaneously include the effects of rotation, blade interaction, film cooling, and tip clearance with recessed tip on turbine heat transfer and cooling performance. Future plans call for the application of the new Glenn-HT code to a range of gas turbine engine problems of current interest to the heat-transfer community. The new unsteady flow capability will allow researchers to predict the effect of unsteady flow phenomena upon the convective heat transfer of turbine blades and vanes. Work will also continue on the development of conjugate heat-transfer capability in the code, where simultaneous solution of convective and conductive heat-transfer domains is accomplished. Finally, advanced turbulence and fluid flow models and automatic gridding techniques are being developed that will be applied to the Glenn-HT code and solution process.

Syntactic transfer in artificial grammar learning.

PubMed

Beesley, T; Wills, A J; Le Pelley, M E

2010-02-01

In an artificial grammar learning (AGL) experiment, participants were trained with instances of one grammatical structure before completing a test phase in which they were required to discriminate grammatical from randomly created strings. Importantly, the underlying structure used to generate test strings was different from that used to generate the training strings. Despite the fact that grammatical training strings were more similar to nongrammatical test strings than they were to grammatical test strings, this manipulation resulted in a positive transfer effect, as compared with controls trained with nongrammatical strings. It is suggested that training with grammatical strings leads to an appreciation of set variance that aids the detection of grammatical test strings in AGL tasks. The analysis presented demonstrates that it is useful to conceptualize test performance in AGL as a form of unsupervised category learning.

Structural Element Tests in Support of the Keyworker Blast Shelter Program

DTIC Science & Technology

1985-10-01

forced concrete -lab with two transverse reinforced concrete floor beams to transfer the interior column loads to the floor slab. Using a roof slab... lateral buck- "-4 ling; however, this could have occurred after a column buckled and the roof collapsed. Since load cell 2 (middle column ) recorded the...ANALYSIS OF FREE-FIELD AND STRUCTURE LOADING DATA ... ........ .. 102 6.1.1 Loading Wave Velocity ........... .................... ... 102 6.1.2 Lateral

Knowledge Acquisition for Application: Cognitive Flexibility and Transfer of Training in III-Structured Domains

DTIC Science & Technology

1992-04-01

Derivabl, from Concentrated Conceotual Analysis Obviously, there is a prima facie medical relevance to studying concepts judged by the medical community... consumers of research, e.g., students, see and are affected only by the partial products of the overall quest, without access to the "big picture...in a number of studies that the learning of complex content materia ! in ill-structured domains requires multiple representations -- multiple

DFT investigation on the electronic structure of Faujasite

NASA Astrophysics Data System (ADS)

Popeneciu, Horea; Calborean, Adrian; Tudoran, Cristian; Buimaga-Iarinca, Luiza

2013-11-01

We report here first-principle pseudopotential DFT calculations to investigate relevant aspects of the electronic structure of zeolites based FAU. Fundamental molecular issues of the band-gap and electronic population analysis were reviewed under GGA/RPBE level of theory, corroborated with a DZP basis set and Troullier-Martins norm conserving pseudo-potentials. The atom-projected density of states and the analysis of HOMO-LUMO frontier orbitals at Gamma point were performed. Their electronic transfers are discussed through the alignment and relative positions of orbitals in order to determine the way that the molecule interacts with adsorbed molecules and other practical applications. Mulliken population analysis was employed for describing atomic charge distribution in the chosen systems.

Structural response of SSME turbine blade airfoils

NASA Technical Reports Server (NTRS)

Arya, V. K.; Abdul-Aziz, A.; Thompson, R. L.

1988-01-01

Reusable space propulsion hot gas-path components are required to operate under severe thermal and mechanical loading conditions. These operating conditions produce elevated temperature and thermal transients which results in significant thermally induced inelastic strains, particularly, in the turbopump turbine blades. An inelastic analysis for this component may therefore be necessary. Anisotropic alloys such as MAR M-247 or PWA-1480 are being considered to meet the safety and durability requirements of this component. An anisotropic inelastic structural analysis for an SSME fuel turbopump turbine blade was performed. The thermal loads used resulted from a transient heat transfer analysis of a turbine blade. A comparison of preliminary results from the elastic and inelastic analyses is presented.

Cluster folding analysis of 20Ne+16O elastic transfer

NASA Astrophysics Data System (ADS)

Hamada, Sh.; Keeley, N.; Kemper, K. W.; Rusek, K.

2018-05-01

The available experimental data for the 20Ne+16O system in the energy range where the effect of α -cluster transfer is well observed are reanalyzed using the cluster folding model. The cluster folding potential, which includes both real and imaginary terms, reproduces the data at forward angles and the inclusion of the 16O(20Ne,16O)20Ne elastic transfer process provides a satisfactory description of the backward angles. The spectroscopic factor for the 20Ne→16O+α overlap was extracted and compared with other values from the literature. The present results suggest that the (20Ne,16O ) reaction might be an alternative means of exploring the α -particle structure of nuclei.

Heat transfer simulation of unsteady swirling flow in a vortex tube

NASA Astrophysics Data System (ADS)

Veretennikov, S. V.; Piralishvili, Sh A.; Evdokimov, O. A.; Guryanov, A. I.

2018-03-01

Effectiveness of not-adiabatic vortex tube application in the cooling systems of gas turbine blades depends on characteristics of swirling flows formed in the energy separation chamber. An analysis of the flow structure in the vortex tube channels has shown a presence of a complex three-dimensional spiral vortex, formed under relatively high turbulence intensity and vortex core precession. This indicates the presence of a significant unsteady flow in the energy separation chamber of the vortex tube that has a great influence on convective heat transfer of the swirling flow to the inner surface of tube. The paper contains the results of investigation of gas dynamics and heat transfer in the vortex tube taking into account the flow unsteadiness.

Turbulent Heat Transfer in Curved Pipe Flow

NASA Astrophysics Data System (ADS)

Kang, Changwoo; Yang, Kyung-Soo

2013-11-01

In the present investigation, turbulent heat transfer in fully-developed curved pipe flow with axially uniform wall heat flux has been numerically studied. The Reynolds numbers under consideration are Reτ = 210 (DNS) and 1,000 (LES) based on the mean friction velocity and the pipe radius, and the Prandtl number (Pr) is 0.71. For Reτ = 210 , the pipe curvature (κ) was fixed as 1/18.2, whereas three cases of κ (0.01, 0.05, 0.1) were computed in the case of Reτ = 1,000. The mean velocity, turbulent intensities and heat transfer rates obtained from the present calculations are in good agreement with the previous numerical and experimental results. To elucidate the secondary flow structures due to the pipe curvature, the mean quantities and rms fluctuations of the flow and temperature fields are presented on the pipe cross-sections, and compared with those of the straight pipe flow. To study turbulence structures and their influence on turbulent heat transfer, turbulence statistics including but not limited to skewness and flatness of velocity fluctuations, cross-correlation coefficients, an Octant analysis, and turbulence budgets are presented and discussed. Based on our results, we attempt to clarify the effects of Reynolds number and the pipe curvature on turbulent heat transfer. This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2010-0008457).

Structural and spectroscopic characterization, reactivity study and charge transfer analysis of the newly synthetized 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid

NASA Astrophysics Data System (ADS)

Murthy, P. Krishna; Krishnaswamy, G.; Armaković, Stevan; Armaković, Sanja J.; Suchetan, P. A.; Desai, Nivedita R.; Suneetha, V.; SreenivasaRao, R.; Bhargavi, G.; Aruna Kumar, D. B.

2018-06-01

The title compound 2-(6-hydroxy-1-benzofuran-3-yl) acetic acid (abbreviated as HBFAA) has been synthetized and characterized by FT-IR, FT-Raman and NMR spectroscopic techniques. Solid state crystal structure of HBFAA has been determined by single crystal X-ray diffraction technique. The crystal structure features O-H⋯O and C-H⋯O intermolecular interactions resulting in a two dimensional supramolecular architecture. The presence of various intermolecular interactions is well supported by the Hirshfeld surface analysis. The molecular properties of HBFAA were performed by Density functional theory (DFT) using B3LYP/6-311G++(d,p) method at ground state in gas phase, compile these results with experimental values and shows mutual agreement. The vibrational spectral analysis were carried out using FT-IR and FT-Raman spectroscopic techniques and assignment of each vibrational wavenumber made on the basis of potential energy distribution (PED). And also frontier orbital analysis (FMOs), global reactivity descriptors, non-linear optical properties (NLO) and natural bond orbital analysis (NBO) of HBFAA were computed with same method. Efforts were made in order to understand global and local reactivity properties of title compound by calculations of MEP, ALIE, BDE and Fukui function surfaces in gas phase, together with thermodynamic properties. Molecular dynamics simulation and radial distribution functions were also used in order to understand the influence of water to the stability of title compound. Charge transfer between molecules of HBFAA has been investigated thanks to the combination of MD simulations and DFT calculations.

Algebraic multigrid methods applied to problems in computational structural mechanics

NASA Technical Reports Server (NTRS)

Mccormick, Steve; Ruge, John

1989-01-01

The development of algebraic multigrid (AMG) methods and their application to certain problems in structural mechanics are described with emphasis on two- and three-dimensional linear elasticity equations and the 'jacket problems' (three-dimensional beam structures). Various possible extensions of AMG are also described. The basic idea of AMG is to develop the discretization sequence based on the target matrix and not the differential equation. Therefore, the matrix is analyzed for certain dependencies that permit the proper construction of coarser matrices and attendant transfer operators. In this manner, AMG appears to be adaptable to structural analysis applications.

Influence of Wind Pressure on the Carbonation of Concrete

PubMed Central

Zou, Dujian; Liu, Tiejun; Du, Chengcheng; Teng, Jun

2015-01-01

Carbonation is one of the major deteriorations that accelerate steel corrosion in reinforced concrete structures. Many mathematical/numerical models of the carbonation process, primarily diffusion-reaction models, have been established to predict the carbonation depth. However, the mass transfer of carbon dioxide in porous concrete includes molecular diffusion and convection mass transfer. In particular, the convection mass transfer induced by pressure difference is called penetration mass transfer. This paper presents the influence of penetration mass transfer on the carbonation. A penetration-reaction carbonation model was constructed and validated by accelerated test results under high pressure. Then the characteristics of wind pressure on the carbonation were investigated through finite element analysis considering steady and fluctuating wind flows. The results indicate that the wind pressure on the surface of concrete buildings results in deeper carbonation depth than that just considering the diffusion of carbon dioxide. In addition, the influence of wind pressure on carbonation tends to increase significantly with carbonation depth. PMID:28793462

Influence of Wind Pressure on the Carbonation of Concrete.

PubMed

Zou, Dujian; Liu, Tiejun; Du, Chengcheng; Teng, Jun

2015-07-24

Carbonation is one of the major deteriorations that accelerate steel corrosion in reinforced concrete structures. Many mathematical/numerical models of the carbonation process, primarily diffusion-reaction models, have been established to predict the carbonation depth. However, the mass transfer of carbon dioxide in porous concrete includes molecular diffusion and convection mass transfer. In particular, the convection mass transfer induced by pressure difference is called penetration mass transfer. This paper presents the influence of penetration mass transfer on the carbonation. A penetration-reaction carbonation model was constructed and validated by accelerated test results under high pressure. Then the characteristics of wind pressure on the carbonation were investigated through finite element analysis considering steady and fluctuating wind flows. The results indicate that the wind pressure on the surface of concrete buildings results in deeper carbonation depth than that just considering the diffusion of carbon dioxide. In addition, the influence of wind pressure on carbonation tends to increase significantly with carbonation depth.

Proton transfer from water to ketyl radical anion: Assessment of critical size of hydrated cluster and free energy barrier in solution from first principles simulations

NASA Astrophysics Data System (ADS)

Biswas, Sohag; Dasgupta, Teesta; Mallik, Bhabani S.

2016-09-01

We present the reactivity of an organic intermediate by studying the proton transfer process from water to ketyl radical anion using gas phase electronic structure calculations and the metadynamics method based first principles molecular dynamics (FPMD) simulations. Our results indicate that during the micro solvation of anion by water molecules systematically, the presence of minimum three water molecules in the gas phase cluster is sufficient to observe the proton transfer event. The analysis of trajectories obtained from initial FPMD simulation of an aqueous solution of the anion does not show any evident of complete transfer of the proton from water. The cooperativity of water molecules and the relatively weak anion-water interaction in liquid state prohibit the full release of the proton. Using biasing potential through first principles metadynamics simulations, we report the observation of proton transfer reaction from water to ketyl radical anion with a barrier height of 16.0 kJ/mol.

An Analysis of Second-Tier Arms Producing Countries’ Offset Policies: Technology Transfer and Defense Industrial Base Establishment

DTIC Science & Technology

2008-03-01

38  39  ......................... 40  ......................... 42  42  Offsets in the Global Arms Market ...The Global Arms Market Structure .................................................. Increasing Globalization of Defense Industry...109  Overcapacity of the Defense Industry in a Declining Market ........................... 109 Economies of Scale

77 FR 75085 - Proposed Significant New Use Rule on Ethoxylated, Propoxylated Diamine Diaryl Substituted...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-19

... applications. Based on ecological structure activity relationship (EcoSAR) analysis of test data on analogous... significant regulatory action under Executive Order 12866. I. National Technology Transfer and Advancement Act Since this action does not involve any technical standards, section 12(d) of the National Technology...

Coordinative structuring of gait kinematics during adaptation to variable and asymmetric split-belt treadmill walking - A principal component analysis approach.

PubMed

Hinkel-Lipsker, Jacob W; Hahn, Michael E

2018-06-01

Gait adaptation is a task that requires fine-tuned coordination of all degrees of freedom in the lower limbs by the central nervous system. However, when individuals change their gait it is unknown how this coordination is organized, and how it can be influenced by contextual interference during practice. Such knowledge could provide information about measurement of gait adaptation during rehabilitation. Able-bodied individuals completed an acute bout of asymmetric split-belt treadmill walking, where one limb was driven at a constant velocity and the other according to one of three designed practice paradigms: serial practice, where the variable limb belt velocity increased over time; random blocked practice, where every 20 strides the variable limb belt velocity changed randomly; random practice, where every stride the variable limb belt velocity changed randomly. On the second day, subjects completed one of two different transfer tests; one with a belt asymmetry close to that experienced on the acquisition day (transfer 1; 1.5:1), and one with a greater asymmetry (transfer 2; 2:1) . To reduce this inherently high-dimensional dataset, principal component analyses were used for kinematic data collected throughout the acquisition and transfer phases; resulting in extraction of the first two principal components (PCs). For acquisition, PC1 and PC2 were related to sagittal and frontal plane control. For transfer 1, PC1 and PC2 were related to frontal plane control of the base of support and whole-body center of mass. For transfer 2, PC1 did not have any variables with high enough coefficients deemed to be relevant, and PC2 was related to sagittal plane control. Observations of principal component scores indicate that variance structuring differs among practice groups during acquisition and transfer 1, but not transfer 2. These results demonstrate the main kinematic coordinative structures that exist during gait adaptation, and that control of sagittal plane and frontal plane motion are perhaps a trade-off during acquisition of a novel asymmetric gait pattern. Copyright © 2018 Elsevier B.V. All rights reserved.

Transfer of nursing home residents to emergency departments: organizational differences between nursing homes with high vs. low transfer rates.

PubMed

Kirsebom, Marie; Hedström, Mariann; Pöder, Ulrika; Wadensten, Barbro

2017-01-01

To explore possible factors in the organization of nursing homes that could be related to differences in the rate of transfer of residents from nursing homes to emergency department. Explorative. In a single municipality, qualitative and quantitative data were collected from documents and through semi-structured interviews with 11 RNs from five nursing homes identified as having the highest vs. six identified as having the lowest transfer rates to emergency department. Data were analysed by non-parametric tests and basic content analysis. All nursing homes in the highest transfer rate group and one in the lowest transfer rate group were run by private for-profit providers. Compared with the low group, the high group had fewer updated advance care plans and the RNs interviewed had less work experience in care of older people and less training in care of persons with dementia. There was no difference in nursing home size or staff/resident ratio. The RNs described similar possibilities to provide palliative care, medical equipment and perceived medical support from GPs.

Super-Planckian far-field radiative heat transfer

NASA Astrophysics Data System (ADS)

Fernández-Hurtado, V.; Fernández-Domínguez, A. I.; Feist, J.; García-Vidal, F. J.; Cuevas, J. C.

2018-01-01

We present here a theoretical analysis that demonstrates that the far-field radiative heat transfer between objects with dimensions smaller than the thermal wavelength can overcome the Planckian limit by orders of magnitude. To guide the search for super-Planckian far-field radiative heat transfer, we make use of the theory of fluctuational electrodynamics and derive a relation between the far-field radiative heat transfer and the directional absorption efficiency of the objects involved. Guided by this relation, and making use of state-of-the-art numerical simulations, we show that the far-field radiative heat transfer between highly anisotropic objects can largely overcome the black-body limit when some of their dimensions are smaller than the thermal wavelength. In particular, we illustrate this phenomenon in the case of suspended pads made of polar dielectrics like SiN or SiO2. These structures are widely used to measure the thermal transport through nanowires and low-dimensional systems and can be employed to test our predictions. Our work illustrates the dramatic failure of the classical theory to predict the far-field radiative heat transfer between micro- and nanodevices.

Information Technology in Complex Health Services

PubMed Central

Southon, Frank Charles Gray; Sauer, Chris; Dampney, Christopher Noel Grant (Kit)

1997-01-01

Abstract Objective: To identify impediments to the successful transfer and implementation of packaged information systems through large, divisionalized health services. Design: A case analysis of the failure of an implementation of a critical application in the Public Health System of the State of New South Wales, Australia, was carried out. This application had been proven in the United States environment. Measurements: Interviews involving over 60 staff at all levels of the service were undertaken by a team of three. The interviews were recorded and analyzed for key themes, and the results were shared and compared to enable a continuing critical assessment. Results: Two components of the transfer of the system were considered: the transfer from a different environment, and the diffusion throughout a large, divisionalized organization. The analyses were based on the Scott-Morton organizational fit framework. In relation to the first, it was found that there was a lack of fit in the business environments and strategies, organizational structures and strategy-structure pairing as well as the management process-roles pairing. The diffusion process experienced problems because of the lack of fit in the strategy-structure, strategy-structure-management processes, and strategy-structure-role relationships. Conclusion: The large-scale developments of integrated health services present great challenges to the efficient and reliable implementation of information technology, especially in large, divisionalized organizations. There is a need to take a more sophisticated approach to understanding the complexities of organizational factors than has traditionally been the case. PMID:9067877

Heat transfer assembly for a fluorescent lamp and fixture

DOEpatents

Siminovitch, Michael J.; Rubenstein, Francis M.; Whitman, Richard E.

1992-01-01

In a lighting fixture including a lamp and a housing, a heat transfer structure is disclosed for reducing the minimum lamp wall temperature of a fluorescent light bulb. The heat transfer structure, constructed of thermally conductive material, extends from inside the housing to outside the housing, transferring heat energy generated from a fluorescent light bulb to outside the housing where the heat energy is dissipated to the ambient air outside the housing. Also disclosed is a method for reducing minimum lamp wall temperatures. Further disclosed is an improved lighting fixture including a lamp, a housing and the aforementioned heat transfer structure.

Exploring proton transfer in 1,2,3-triazole-triazolium dimer with ab initio method

NASA Astrophysics Data System (ADS)

Li, Ailin; Yan, Tianying; Shen, Panwen

Ab initio calculations are utilized to search for transition state structures for proton transfer in the 1,2,3-triazole-triazolium complexes on the basis of optimized dimers. The result suggests six transition state structures for single proton transfer in the complexes, most of which are coplanar. The energy barriers, between different stable and transition states structures with zero point energy (ZPE) corrections, show that proton transfer occurs at room temperature with coplanar configuration that has the lowest energy. The results clearly support that reorientation gives triazole flexibility for proton transfer.

Reentry heat transfer analysis of the space shuttle orbiter

NASA Technical Reports Server (NTRS)

Ko, W. L.; Quinn, R. D.; Gong, L.

1982-01-01

A structural performance and resizing finite element thermal analysis computer program was used in the reentry heat transfer analysis of the space shuttle. Two typical wing cross sections and a midfuselage cross section were selected for the analysis. The surface heat inputs to the thermal models were obtained from aerodynamic heating analyses, which assumed a purely turbulent boundary layer, a purely laminar boundary layer, separated flow, and transition from laminar to turbulent flow. The effect of internal radiation was found to be quite significant. With the effect of the internal radiation considered, the wing lower skin temperature became about 39 C (70 F) lower. The results were compared with fight data for space transportation system, trajectory 1. The calculated and measured temperatures compared well for the wing if laminar flow was assumed for the lower surface and bay one upper surface and if separated flow was assumed for the upper surfaces of bays other than bay one. For the fuselage, good agreement between the calculated and measured data was obtained if laminar flow was assumed for the bottom surface. The structural temperatures were found to reach their peak values shortly before touchdown. In addition, the finite element solutions were compared with those obtained from the conventional finite difference solutions.

The balance of benefit: a review of intergenerational transfers in Australia.

PubMed

Legge, V; O'Loughlin, K

2000-10-01

This article reviews the financial and nonfinancial transfers taking place intergenerationally and between older people and the community. Secondary data were used in the analysis and discussion to provide an overview of the Australian context. Within the public arena, governments provide major financial contributions through money transfers and the provision of residential support. Older people provide considerable community support by undertaking voluntary services. This article concludes that the balance of benefit is difficult to determine; however, in terms of public expenditure older people are major recipients. Within the family, the balance of benefit is reversed. Older people are major monetary contributors to adult children and their families in the transition to an independent status. Older people are also the principal carers of their frail-aged partners, thus reducing both the burden of care on their adult children and government institutions. The analysis reported here has major implications for the development of policy and structural change and for reducing negative stereotypes of dependency in old age.

Synthesis, structural, spectroscopic and optical studies of charge transfer complex salts.

PubMed

Manikandan, Maruthappan; Mahalingam, Thaiyan; Hayakawa, Yasuhiro; Ravi, Ganesan

2013-01-15

New charge transfer molecular complex adducts of picric acid (C6H3N3O7) with triethylamine (C6H15N) and dimethylformamide (HCON(CH3)2) were synthesized successfully for the first time. Chemical composition and stoichiometry of the synthesized complex salts were verified by CHN elemental analysis. Solubility of the complex salts have been determined by gravimetric method and single crystals of two new salts were grown by low temperature solution growth technique. Crystal system, crystalline nature and cell parameters of the grown crystals were determined by single crystal X-ray diffraction (SXRD) and powder X-ray diffraction (PXRD) analyses. The formations of the charge-transfer complex, functional groups and the modes of vibrations have been confirmed by Fourier transform infrared (FTIR) spectroscopy. In order to know the linear and nonlinear optical suitability for device fabrication, UV-Vis (UV) spectral analysis and relative second harmonic generation (SHG) efficiency test were performed for the grown crystals. Copyright © 2012 Elsevier B.V. All rights reserved.

Gamow-Teller transitions and neutron-proton-pair transfer reactions

NASA Astrophysics Data System (ADS)

Van Isacker, P.; Macchiavelli, A. O.

2018-05-01

We propose a schematic model of nucleons moving in spin-orbit partner levels, j = l ± 1/2, to explain Gamow-Teller and two-nucleon transfer data in N = Z nuclei above 40Ca. Use of the LS coupling scheme provides a more transparent approach to interpret the structure and reaction data. We apply the model to the analysis of charge-exchange, 42Ca(3He,t)42Sc, and np-transfer, 40Ca(3He,p)42Sc, reactions data to define the elementary modes of excitation in terms of both isovector and isoscalar pairs, whose properties can be determined by adjusting the parameters of the model (spin-orbit splitting, isovector pairing strength and quadrupole matrix element) to the available data. The overall agreement with experiment suggests that the approach captures the main physics ingredients and provides the basis for a boson approximation that can be extended to heavier nuclei. Our analysis also reveals that the SU(4)-symmetry limit is not realized in 42Sc.

Synthesis, structural, spectroscopic and optical studies of charge transfer complex salts

NASA Astrophysics Data System (ADS)

Manikandan, Maruthappan; Mahalingam, Thaiyan; Hayakawa, Yasuhiro; Ravi, Ganesan

2013-01-01

New charge transfer molecular complex adducts of picric acid (C6H3N3O7) with triethylamine (C6H15N) and dimethylformamide (HCON(CH3)2) were synthesized successfully for the first time. Chemical composition and stoichiometry of the synthesized complex salts were verified by CHN elemental analysis. Solubility of the complex salts have been determined by gravimetric method and single crystals of two new salts were grown by low temperature solution growth technique. Crystal system, crystalline nature and cell parameters of the grown crystals were determined by single crystal X-ray diffraction (SXRD) and powder X-ray diffraction (PXRD) analyses. The formations of the charge-transfer complex, functional groups and the modes of vibrations have been confirmed by Fourier transform infrared (FTIR) spectroscopy. In order to know the linear and nonlinear optical suitability for device fabrication, UV-Vis (UV) spectral analysis and relative second harmonic generation (SHG) efficiency test were performed for the grown crystals.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Sanjeev, E-mail: sanjeevsharma145@gmail.com; Kumar, Rajendra, E-mail: khundrakpam-ss@yahoo.com; Singh, Kh. S., E-mail: khundrakpam-ss@yahoo.com

A simple design of broadband one dimensional dielectric/semiconductor multilayer structure having refractive index profile of exponentially graded material has been proposed. The theoretical analysis shows that the proposed structure works as a perfect mirror within a certain wavelength range (1550 nm). In order to calculate the reflection properties a transfer matrix method (TMM) has been used. This property shows that binary graded photonic crystal structures have widened omnidirectional reflector (ODR) bandgap. Hence a exponentially graded photonic crystal structure can be used as a broadband optical reflector and the range of reflection can be tuned to any wavelength region by varying themore » refractive index profile of exponentially graded photonic crystal structure.« less

Studies of acoustic-electric feed-throughs for power transmission through structures

NASA Technical Reports Server (NTRS)

Sherrit, Stewart; Doty, Benjamin; Badescu, Mircea; Bao, Xiaoqi; Bar-Cohen, Yoseph; Aldrich, Jack; Chang, Zensheu

2006-01-01

There are numerous engineering design problems where the use of wires to transfer power and communicate data thru the walls of a structure is prohibitive or significantly difficult that it may require a complex design. Using physical feedthroughs in such systems may make them susceptible to leakage of chemicals or gasses, loss of pressure or vacuum, as well as difficulties in providing adequate thermal or electrical insulation. Moreover, feeding wires thru a wall of a structure reduces the strength of the structure and makes the structure prone to cracking due to fatigue that can result from cyclic loading and stress concentrations. One area that has already been identified to require a wireless alternative to electrical feedthroughs is the container of the Mars Sample Return Mission, which will need wireless sensors to sense a pressure leak and to avoid potential contamination. The idea of using elastic or acoustic waves to transfer power was suggested recently by [Y. Hu, et al., July 2003]. This system allows for the avoidance of cabling or wiring. The technology is applicable to the transfer of power for actuation, sensing and other tasks inside any sealed container or vacuum/pressure vessel. An alternative approach to the modeling presented previously [Sherrit et a., 2005] used network analysis to solve the same problem in a clear and expandable manner. Experimental tests on three different designs of these devices were performed. The three designs used different methods of coupling the piezoelectric element to the wall. In the first test the piezoelectric material was bolted using a backing structure. In the second test the piezoelectric was clamped after the application of grease and finally the piezoelectric element was attached using a conductive epoxy. The mechanical clamp with grease produced the highest measured efficiency of 53% however this design was the least practical from a fabrication viewpoint. The power transfer efficiency of conductive epoxy joint was 40% and the stress bolts (12%).

Transfer doping of single isolated nanodiamonds, studied by scanning probe microscopy techniques

NASA Astrophysics Data System (ADS)

Bolker, Asaf; Saguy, Cecile; Kalish, Rafi

2014-09-01

The transfer doping of diamond surfaces has been applied in various novel two-dimensional electronic devices. Its extension to nanodiamonds (ND) is essential for ND-based applications in many fields. In particular, understanding the influence of the crystallite size on transfer doping is desirable. Here, we report the results of a detailed study of the electronic energetic band structure of single, isolated transfer-doped nanodiamonds with nanometric resolution using a combination of scanning tunneling spectroscopy and Kelvin force microscopy measurements. The results show how the band gap, the valence band maximum, the electron affinity and the work function all depend on the ND’s size and nanoparticle surface properties. The present analysis, which combines information from both scanning tunneling spectroscopy and Kelvin force microscopy, should be applicable to any nanoparticle or surface that can be measured with scanning probe techniques.

MuTE: a MATLAB toolbox to compare established and novel estimators of the multivariate transfer entropy.

PubMed

Montalto, Alessandro; Faes, Luca; Marinazzo, Daniele

2014-01-01

A challenge for physiologists and neuroscientists is to map information transfer between components of the systems that they study at different scales, in order to derive important knowledge on structure and function from the analysis of the recorded dynamics. The components of physiological networks often interact in a nonlinear way and through mechanisms which are in general not completely known. It is then safer that the method of choice for analyzing these interactions does not rely on any model or assumption on the nature of the data and their interactions. Transfer entropy has emerged as a powerful tool to quantify directed dynamical interactions. In this paper we compare different approaches to evaluate transfer entropy, some of them already proposed, some novel, and present their implementation in a freeware MATLAB toolbox. Applications to simulated and real data are presented.

MuTE: A MATLAB Toolbox to Compare Established and Novel Estimators of the Multivariate Transfer Entropy

PubMed Central

Montalto, Alessandro; Faes, Luca; Marinazzo, Daniele

2014-01-01

A challenge for physiologists and neuroscientists is to map information transfer between components of the systems that they study at different scales, in order to derive important knowledge on structure and function from the analysis of the recorded dynamics. The components of physiological networks often interact in a nonlinear way and through mechanisms which are in general not completely known. It is then safer that the method of choice for analyzing these interactions does not rely on any model or assumption on the nature of the data and their interactions. Transfer entropy has emerged as a powerful tool to quantify directed dynamical interactions. In this paper we compare different approaches to evaluate transfer entropy, some of them already proposed, some novel, and present their implementation in a freeware MATLAB toolbox. Applications to simulated and real data are presented. PMID:25314003

Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex

NASA Astrophysics Data System (ADS)

Morgan, Sarah E.; Cole, Daniel J.; Chin, Alex W.

2016-11-01

Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provides a computationally inexpensive approach to studying vibrational modes at the microscopic level in large protein structures, whilst incorporating anharmonicity in the inter-residue interactions which can influence protein dynamics. We apply the NNM to the entire trimeric FMO complex and find evidence for the existence of nonlinear discrete breather modes. These modes tend to transfer energy to the highly connected core pigments, potentially opening up alternative excitation energy transfer routes through their influence on pigment properties. Incorporating localised modes based on these discrete breathers in the optical spectra calculations for FMO using ab initio site energies and excitonic couplings can substantially improve their agreement with experimental results.

Propagation of eigenmodes and transfer functions in waveguide WDM structures

NASA Astrophysics Data System (ADS)

Mashkov, Vladimir A.; Francoeur, S.; Geuss, U.; Neiser, K.; Temkin, Henryk

1998-02-01

A method of propagation functions and transfer amplitudes suitable for the design of integrated optical circuits is presented. The method is based on vectorial formulation of electrodynamics: the distributions and propagation of electromagnetic fields in optical circuits is described by equivalent surface sources. This approach permits a division of complex optical waveguide structures into sets of primitive blocks and to separately calculate the transfer function and the transfer amplitude for each block. The transfer amplitude of the entire optical system is represented by a convolution of transfer amplitudes of its primitive blocks. The eigenvalues and eigenfunctions of arbitrary waveguide structure are obtained in the WKB approximation and compared with other methods. The general approach is illustrated with the transfer amplitude calculations for Dragone's star coupler and router.

Intramolecular energy transfer and the driving mechanisms for large-amplitude collective motions of clusters

NASA Astrophysics Data System (ADS)

Yanao, Tomohiro; Koon, Wang Sang; Marsden, Jerrold E.

2009-04-01

This paper uncovers novel and specific dynamical mechanisms that initiate large-amplitude collective motions in polyatomic molecules. These mechanisms are understood in terms of intramolecular energy transfer between modes and driving forces. Structural transition dynamics of a six-atom cluster between a symmetric and an elongated isomer is highlighted as an illustrative example of what is a general message. First, we introduce a general method of hyperspherical mode analysis to analyze the energy transfer among internal modes of polyatomic molecules. In this method, the (3n-6) internal modes of an n-atom molecule are classified generally into three coarse level gyration-radius modes, three fine level twisting modes, and (3n-12) fine level shearing modes. We show that a large amount of kinetic energy flows into the gyration-radius modes when the cluster undergoes structural transitions by changing its mass distribution. Based on this fact, we construct a reactive mode as a linear combination of the three gyration-radius modes. It is shown that before the reactive mode acquires a large amount of kinetic energy, activation or inactivation of the twisting modes, depending on the geometry of the isomer, plays crucial roles for the onset of a structural transition. Specifically, in a symmetric isomer with a spherical mass distribution, activation of specific twisting modes drives the structural transition into an elongated isomer by inducing a strong internal centrifugal force, which has the effect of elongating the mass distribution of the system. On the other hand, in an elongated isomer, inactivation of specific twisting modes initiates the structural transition into a symmetric isomer with lower potential energy by suppressing the elongation effect of the internal centrifugal force and making the effects of the potential force dominant. This driving mechanism for reactions as well as the present method of hyperspherical mode analysis should be widely applicable to molecular reactions in which a system changes its overall mass distribution in a significant way.

Geometry-dependent DNA-TiO2 immobilization mechanism: A spectroscopic approach

NASA Astrophysics Data System (ADS)

Silva-Moraes, M. O.; Garcia-Basabe, Y.; de Souza, R. F. B.; Mota, A. J.; Passos, R. R.; Galante, D.; Fonseca Filho, H. D.; Romaguera-Barcelay, Y.; Rocco, M. L. M.; Brito, W. R.

2018-06-01

DNA nucleotides are used as a molecular recognition system on electrodes modified to be applied in the detection of various diseases, but immobilization mechanisms, as well as, charge transfers are not satisfactorily described in the literature. An electrochemical and spectroscopic study was carried out to characterize the molecular groups involved in the direct immobilization of DNA structures on the surface of nanostructured TiO2 with the aim of evaluating the influence of the geometrical aspects. X-ray photoelectron spectroscopy at O1s and P2p core levels indicate that immobilization of DNA samples occurs through covalent (Psbnd Osbnd Ti) bonds. X-ray absorption spectra at the Ti2p edge reinforce this conclusion. A new species at 138.5 eV was reported from P2p XPS spectra analysis which plays an important role in DNA-TiO2 immobilization. The Psbnd Osbnd Ti/Osbnd Ti ratio showed that quantitatively the DNA immobilization mechanism is dependent on their geometry, becoming more efficient for plasmid ds-DNA structures than for PCR ds-DNA structures. The analysis of photoabsorption spectra at C1s edge revealed that the molecular groups that participate in the C1s → LUMO electronic transitions have different pathways in the charge transfer processes at the DNA-TiO2 interface. Our results may contribute to additional studies of immobilization mechanisms understanding the influence of the geometry of different DNA molecules on nanostructured semiconductor and possible impact to the charge transfer processes with application in biosensors or aptamers.

Synthesis, crystal structure and redox properties of dihydropyrazole-bridged ferrocene-based derivatives

NASA Astrophysics Data System (ADS)

Li, Heng-Dong; Ma, Zai-He; Yang, Kun; Xie, Li-Li; Yuan, Yao-Feng

2012-09-01

Dihydropyrazole-bridged ferrocene-based derivatives were prepared by corresponding chalcones with hydrazine hydrate, then acylation with 3-(ethoxycarbonyl)propionyl chloride directly in high yields and purity. All of these compounds were characterized by MS, IR, 1H NMR, 13C NMR and elemental analysis. The relationship between the structure and redox properties was investigated based on the results of single crystal X-ray structure determinations and cyclic voltammetry. The mechanism of the electron transfer for representative compound 4b was verified by density functional theory (DFT) calculations.

Rift brittle deformation of SE-Brazilian continental margin: Kinematic analysis of onshore structures relative to the transfer and accommodation zones of southern Campos Basin

NASA Astrophysics Data System (ADS)

Savastano, Vítor Lamy Mesiano; Schmitt, Renata da Silva; Araújo, Mário Neto Cavalcanti de; Inocêncio, Leonardo Campos

2017-01-01

High-resolution drone-supported mapping and traditional field work were used to refine the hierarchy and kinematics of rift-related faults in the basement rocks and Early Cretaceous mafic dikes onshore of the Campos Basin, SE-Brazil. Two sets of structures were identified. The most significant fault set is NE-SW oriented with predominantly normal displacement. At mesoscale, this fault set is arranged in a rhombic pattern, interpreted here as a breached relay ramp system. The rhombic pattern is a penetrative fabric from the thin-section to regional scale. The second-order set of structures is an E-W/ESE-WNW system of normal faults with sinistral component. These E-W structures are oriented parallel with regional intrabasinal transfer zones associated with the earliest stages of Campos Basin's rift system. The crosscutting relationship between the two fault sets and tholeiitic dikes implies that the NE-SW fault set is the older feature, but remained active until the final stages of rifting in this region as the second-order fault set is older than the tholeiitic dikes. Paleostresses estimated from fault slip inversion method indicated that extension was originally NW-SE, with formation of the E-W transfer, followed by ESE-WNW oblique opening associated with a relay ramp system and related accommodation zones.

Integrating some mind and brain views of transference: the phenomena.

PubMed

Levin, F M

1997-01-01

Because understanding the underpinnings of transferential learning allows the analyst to more effectively exploit transference in the clinical situation, as well as to advance psychoanalytic theory, the functions and mechanisms of transference phenomena in learning are subjected to an interdisciplinary analysis. Through transference the brain creates hierarchical databases that make emotional sense of the world, especially the world of human relationships. Transference plays a role in defense and resistance clinically; less explored but equally important is the adaptive potential of transference and its effect on an individual's readiness for structural change through the activation of working memory. Most investigators within psychoanalysis have not considered the importance of similarity judgments and memory priming, especially as these help to explain why transference and its proper handling are effective in treatment. Yet there are complex relationships among transference, similarity judgment, and memory priming that tie together psychoanalysis, cognitive psychology, and neurophysiology. Evidence increasingly suggests a relationship between transference and the transfer of knowledge between various content domains (databases) of mind and brain, which is essential to cognitive and emotional learning. There are indications as well that transference decisively facilitates learning readiness ("windows") in general by means of two of its components: free association and spontaneous (self-initiated) activity. The important question of which mind/brain mechanisms motivate transference is not yet understood comprehensively. However, Vygotsky's work on the zone of proximal development (ZPD), M.Stern's teleonomic theory, schema theory, and neural network theory offer further insights into what motivates transference.

A Framework for Integrated Component and System Analyses of Instabilities

NASA Technical Reports Server (NTRS)

Ahuja, Vineet; Erwin, James; Arunajatesan, Srinivasan; Cattafesta, Lou; Liu, Fei

2010-01-01

Instabilities associated with fluid handling and operation in liquid rocket propulsion systems and test facilities usually manifest themselves as structural vibrations or some form of structural damage. While the source of the instability is directly related to the performance of a component such as a turbopump, valve or a flow control element, the associated pressure fluctuations as they propagate through the system have the potential to amplify and resonate with natural modes of the structural elements and components of the system. In this paper, the authors have developed an innovative multi-level approach that involves analysis at the component and systems level. The primary source of the unsteadiness is modeled with a high-fidelity hybrid RANS/LES based CFD methodology that has been previously used to study instabilities in feed systems. This high fidelity approach is used to quantify the instability and understand the physics associated with the instability. System response to the driving instability is determined through a transfer matrix approach wherein the incoming and outgoing pressure and velocity fluctuations are related through a transfer (or transmission) matrix. The coefficients of the transfer matrix for each component (i.e. valve, pipe, orifice etc.) are individually derived from the flow physics associated with the component. A demonstration case representing a test loop/test facility comprised of a network of elements is constructed with the transfer matrix approach and the amplification of modes analyzed as the instability propagates through the test loop.

The epidemic spreading model and the direction of information flow in brain networks.

PubMed

Meier, J; Zhou, X; Hillebrand, A; Tewarie, P; Stam, C J; Van Mieghem, P

2017-05-15

The interplay between structural connections and emerging information flow in the human brain remains an open research problem. A recent study observed global patterns of directional information flow in empirical data using the measure of transfer entropy. For higher frequency bands, the overall direction of information flow was from posterior to anterior regions whereas an anterior-to-posterior pattern was observed in lower frequency bands. In this study, we applied a simple Susceptible-Infected-Susceptible (SIS) epidemic spreading model on the human connectome with the aim to reveal the topological properties of the structural network that give rise to these global patterns. We found that direct structural connections induced higher transfer entropy between two brain regions and that transfer entropy decreased with increasing distance between nodes (in terms of hops in the structural network). Applying the SIS model, we were able to confirm the empirically observed opposite information flow patterns and posterior hubs in the structural network seem to play a dominant role in the network dynamics. For small time scales, when these hubs acted as strong receivers of information, the global pattern of information flow was in the posterior-to-anterior direction and in the opposite direction when they were strong senders. Our analysis suggests that these global patterns of directional information flow are the result of an unequal spatial distribution of the structural degree between posterior and anterior regions and their directions seem to be linked to different time scales of the spreading process. Copyright © 2017 Elsevier Inc. All rights reserved.

Investigating the sources of variability in the dynamic response of built-up structures through a linear analytical model

NASA Astrophysics Data System (ADS)

Abolfathi, Ali; O'Boy, Dan J.; Walsh, Stephen J.; Fisher, Stephen A.

2017-01-01

It is well established that the dynamic response of a number of nominally identical built-up structures are often different and the variability increases with increasing complexity of the structure. Furthermore, the effects of the different parameters, for example the variation in joint locations or the range of the Young's modulus, on the dynamic response of the system are not the same. In this paper, the effects of different material and geometric parameters on the variability of a vibration transfer function are compared using an analytical model of a simple linear built-up structure that consist of two plates connected by a single mount. Similar results can be obtained if multiple mounts are used. The scope of this paper is limited to a low and medium frequency range where usually deterministic models are used for vibrational analysis. The effect of the mount position and also the global variation in the properties of the plate, such as modulus of elasticity or thickness, is higher on the variability of vibration transfer function than the effect of the mount properties. It is shown that the vibration transfer function between the plates is independent of the mount property if a stiff enough mount with a small mass is implemented. For a soft mount, there is a direct relationship between the mount impedance and the variation in the vibration transfer function. Furthermore, there are a range of mount stiffnesses between these two extreme cases at which the vibration transfer function is more sensitive to changes in the stiffness of the mount than when compared to a soft mount. It is found that the effect of variation in the mount damping and the mount mass on the variability is negligible. Similarly, the effect of the plate damping on the variability is not significant.

Computational Investigation of the Interplay of Substrate Positioning and Reactivity in Catechol O-Methyltransferase

PubMed Central

Patra, Niladri; Ioannidis, Efthymios I.

2016-01-01

Catechol O-methyltransferase (COMT) is a SAM- and Mg2+-dependent methyltransferase that regulates neurotransmitters through methylation. Simulations and experiments have identified divergent catecholamine substrate orientations in the COMT active site: molecular dynamics simulations have favored a monodentate coordination of catecholate substrates to the active site Mg2+, and crystal structures instead preserve bidentate coordination along with short (2.65 Å) methyl donor-acceptor distances. We carry out longer dynamics (up to 350 ns) to quantify interconversion between bidentate and monodentate binding poses. We provide a systematic determination of the relative free energy of the monodentate and bidentate structures in order to identify whether structural differences alter the nature of the methyl transfer mechanism and source of enzymatic rate enhancement. We demonstrate that the bidentate and monodentate binding modes are close in energy but separated by a 7 kcal/mol free energy barrier. Analysis of interactions in the two binding modes reveals that the driving force for monodentate catecholate orientations in classical molecular dynamics simulations is derived from stronger electrostatic stabilization afforded by alternate Mg2+ coordination with strongly charged active site carboxylates. Mixed semi-empirical-classical (SQM/MM) substrate C-O distances (2.7 Å) for the bidentate case are in excellent agreement with COMT X-ray crystal structures, as long as charge transfer between the substrates, Mg2+, and surrounding ligands is permitted. SQM/MM free energy barriers for methyl transfer from bidentate and monodentate catecholate configurations are comparable at around 21–22 kcal/mol, in good agreement with experiment (18–19 kcal/mol). Overall, the work suggests that both binding poses are viable for methyl transfer, and accurate descriptions of charge transfer and electrostatics are needed to provide balanced relative barriers when multiple binding poses are accessible, for example in other transferases. PMID:27564542

Fast electron transfer through a single molecule natively structured redox protein

NASA Astrophysics Data System (ADS)

Della Pia, Eduardo Antonio; Chi, Qijin; MacDonald, J. Emyr; Ulstrup, Jens; Jones, D. Dafydd; Elliott, Martin

2012-10-01

The electron transfer properties of proteins are normally measured as molecularly averaged ensembles. Through these and related measurements, proteins are widely regarded as macroscopically insulating materials. Using scanning tunnelling microscopy (STM), we present new measurements of the conductance through single-molecules of the electron transfer protein cytochrome b562 in its native conformation, under pseudo-physiological conditions. This is achieved by thiol (SH) linker pairs at opposite ends of the molecule through protein engineering, resulting in defined covalent contact between a gold surface and a platinum-iridium STM tip. Two different orientations of the linkers were examined: a long-axis configuration (SH-LA) and a short-axis configuration (SH-SA). In each case, the molecular conductance could be `gated' through electrochemical control of the heme redox state. Reproducible and remarkably high conductance was observed in this relatively complex electron transfer system, with single-molecule conductance values peaking around 18 nS and 12 nS for the SH-SA and SH-LA cytochrome b562 molecules near zero electrochemical overpotential. This strongly points to the important role of the heme co-factor bound to the natively structured protein. We suggest that the two-step model of protein electron transfer in the STM geometry requires a multi-electron transfer to explain such a high conductance. The model also yields a low value for the reorganisation energy, implying that solvent reorganisation is largely absent.The electron transfer properties of proteins are normally measured as molecularly averaged ensembles. Through these and related measurements, proteins are widely regarded as macroscopically insulating materials. Using scanning tunnelling microscopy (STM), we present new measurements of the conductance through single-molecules of the electron transfer protein cytochrome b562 in its native conformation, under pseudo-physiological conditions. This is achieved by thiol (SH) linker pairs at opposite ends of the molecule through protein engineering, resulting in defined covalent contact between a gold surface and a platinum-iridium STM tip. Two different orientations of the linkers were examined: a long-axis configuration (SH-LA) and a short-axis configuration (SH-SA). In each case, the molecular conductance could be `gated' through electrochemical control of the heme redox state. Reproducible and remarkably high conductance was observed in this relatively complex electron transfer system, with single-molecule conductance values peaking around 18 nS and 12 nS for the SH-SA and SH-LA cytochrome b562 molecules near zero electrochemical overpotential. This strongly points to the important role of the heme co-factor bound to the natively structured protein. We suggest that the two-step model of protein electron transfer in the STM geometry requires a multi-electron transfer to explain such a high conductance. The model also yields a low value for the reorganisation energy, implying that solvent reorganisation is largely absent. Electronic supplementary information (ESI) available: Experimental methods, DNA and protein sequences, additional STM statistical analysis and images, electrochemical data and It-z data analysis. See DOI: 10.1039/c2nr32131a

A general strategy for hybrid thin film fabrication and transfer onto arbitrary substrates.

PubMed

Zhang, Yong; Magan, John J; Blau, Werner J

2014-04-28

The development of thin film-based structures/devices often requires thin films to be transferred onto arbitrary substrates/surfaces. Controllable and non-destructive transfer method, although highly desired, remains quite challenging. Here we report a general method for fabrication and transfer of hybrid (ultra)thin films. The proposed solution-based in-situ transfer method shows not only its robust ability for thin film transfer onto arbitrary substrates but also its highly controlled and non-destructive characteristic. With a hole structure as the support, fully-stretched free-standing thin film is prepared. The successful transfer to a curved surface demonstrates the possibility for production of thin film-coated complex optical components. Ultrathin (35 nm) hybrid film transferred onto PET (50 μm thick) shows high transparency (>90% in visible range), conductivity (1.54 × 10(4) S/m), and flexibility (radius of curvature down to mm scale). The reported transfer method would provide a powerful route towards complex thin film-based structures/devices.

A General Strategy for Hybrid Thin Film Fabrication and Transfer onto Arbitrary Substrates

PubMed Central

Zhang, Yong; Magan, John J.; Blau, Werner J.

2014-01-01

The development of thin film-based structures/devices often requires thin films to be transferred onto arbitrary substrates/surfaces. Controllable and non-destructive transfer method, although highly desired, remains quite challenging. Here we report a general method for fabrication and transfer of hybrid (ultra)thin films. The proposed solution-based in-situ transfer method shows not only its robust ability for thin film transfer onto arbitrary substrates but also its highly controlled and non-destructive characteristic. With a hole structure as the support, fully-stretched free-standing thin film is prepared. The successful transfer to a curved surface demonstrates the possibility for production of thin film-coated complex optical components. Ultrathin (35 nm) hybrid film transferred onto PET (50 μm thick) shows high transparency (>90% in visible range), conductivity (1.54 × 104 S/m), and flexibility (radius of curvature down to mm scale). The reported transfer method would provide a powerful route towards complex thin film-based structures/devices. PMID:24769689

Study on turbulent flow and heat transfer performance of tubes with internal fins in EGR cooler

NASA Astrophysics Data System (ADS)

Liu, Lin; Ling, Xiang; Peng, Hao

2015-07-01

In this paper, flow and heat transfer performances of the tubes with internal longitudinal fins in Exhaust Gas Recirculation (EGR ) cooler were investigated by three-dimension computation and experiment . Each test tube was a single-pipe structure, without inner tube. Three-dimension computation was performed to determine the thermal characteristics difference between the two kinds of tubes, that is, the tube with an inner solid staff as a blocked structure and the tube without the blocked structure. The effects of fin width and fin height on heat transfer and flow are examined. For proving the validity of numerical method, the calculated results were compared with corresponding experimental data. The tube-side friction factor and heat transfer coefficient were examined. As a result, the maximum deviations between the numerical results and the experimental data are approximately 5.4 % for friction factor and 8.6 % for heat transfer coefficient, respectively. It is found that two types of internally finned tubes enhance significantly heat transfer. The heat transfer of the tube with blocked structure is better, while the pressure drop of the tube without blocked structure is lower. The comprehensive performance of the unblocked tube is better to applied in EGR cooler.

Digital control algorithms for microgravity isolation systems

NASA Technical Reports Server (NTRS)

Sinha, Alok; Wang, Yung-Peng

1992-01-01

New digital control algorithms were developed to achieve the desired acceleration transmissibility function. The attractive electromagnets have been taken as actuators. The relative displacement and the acceleration of the mass were used as feedback signals. Two approaches were developed to find that controller transfer function in Z-domain, which yields the desired transmissibility at each frequency. In the first approach, the controller transfer function is obtained by assuming that the desired transmissibility is known in Z-domain. Since the desired transmissibility H sub d(S) = 1/(tauS+1)(exp 2) is given in S-domain, the first task is to obtain the desired transmissibility in Z-domain. There are three methods to perform this task: bilinear transformation, and backward and forward rectangular rules. The bilinear transformation and backward rectangular rule lead to improper controller transfer functions, which are physically not realizable. The forward rectangular rule does lead to a physically realizable controller. However, this controller is found to be marginally stable because of a pole at Z=1. In order to eliminate this pole, a hybrid control structure is proposed. Here the control input is composed of two parts: analog and digital. The analog input simply represents the velocity (or the integral of acceleration) feedback; and the digital controller which uses only relative displacement signal, is then obtained to achieve the desired closed-loop transfer function. The stability analysis indicates that the controller transfer function is stable for typical values of sampling period. In the second approach, the aforementioned hybrid control structure is again used. First, an analog controller transfer function corresponding to relative displacement feedback is obtained to achieve the transmissibility as 1/(tauS+1)(exp 2). Then the transfer function for the digital control input is obtained by discretizing this analog controller transfer function via bilinear transformation. The stability of the resulting Z-domain closed loop system is analyzed. Also, the frequency response of the Z-domain closed-loop transfer function is determined to evaluate the performance of the control system.

Comparison of intrinsic dynamics of cytochrome p450 proteins using normal mode analysis

PubMed Central

Dorner, Mariah E; McMunn, Ryan D; Bartholow, Thomas G; Calhoon, Brecken E; Conlon, Michelle R; Dulli, Jessica M; Fehling, Samuel C; Fisher, Cody R; Hodgson, Shane W; Keenan, Shawn W; Kruger, Alyssa N; Mabin, Justin W; Mazula, Daniel L; Monte, Christopher A; Olthafer, Augustus; Sexton, Ashley E; Soderholm, Beatrice R; Strom, Alexander M; Hati, Sanchita

2015-01-01

Cytochrome P450 enzymes are hemeproteins that catalyze the monooxygenation of a wide-range of structurally diverse substrates of endogenous and exogenous origin. These heme monooxygenases receive electrons from NADH/NADPH via electron transfer proteins. The cytochrome P450 enzymes, which constitute a diverse superfamily of more than 8,700 proteins, share a common tertiary fold but < 25% sequence identity. Based on their electron transfer protein partner, cytochrome P450 proteins are classified into six broad classes. Traditional methods of pro are based on the canonical paradigm that attributes proteins' function to their three-dimensional structure, which is determined by their primary structure that is the amino acid sequence. It is increasingly recognized that protein dynamics play an important role in molecular recognition and catalytic activity. As the mobility of a protein is an intrinsic property that is encrypted in its primary structure, we examined if different classes of cytochrome P450 enzymes display any unique patterns of intrinsic mobility. Normal mode analysis was performed to characterize the intrinsic dynamics of five classes of cytochrome P450 proteins. The present study revealed that cytochrome P450 enzymes share a strong dynamic similarity (root mean squared inner product > 55% and Bhattacharyya coefficient > 80%), despite the low sequence identity (< 25%) and sequence similarity (< 50%) across the cytochrome P450 superfamily. Noticeable differences in Cα atom fluctuations of structural elements responsible for substrate binding were noticed. These differences in residue fluctuations might be crucial for substrate selectivity in these enzymes. PMID:26130403

Porous materials for thermal management under extreme conditions.

PubMed

Clyne, T W; Golosnoy, I O; Tan, J C; Markaki, A E

2006-01-15

A brief analysis is presented of how heat transfer takes place in porous materials of various types. The emphasis is on materials able to withstand extremes of temperature, gas pressure, irradiation, etc. i.e. metals and ceramics, rather than polymers. A primary aim is commonly to maximize either the thermal resistance (i.e. provide insulation) or the rate of thermal equilibration between the material and a fluid passing through it (i.e. to facilitate heat exchange). The main structural characteristics concern porosity (void content), anisotropy, pore connectivity and scale. The effect of scale is complex, since the permeability decreases as the structure is refined, but the interfacial area for fluid-solid heat exchange is, thereby, raised. The durability of the pore structure may also be an issue, with a possible disadvantage of finer scale structures being poor microstructural stability under service conditions. Finally, good mechanical properties may be required, since the development of thermal gradients, high fluid fluxes, etc. can generate substantial levels of stress. There are, thus, some complex interplays between service conditions, pore architecture/scale, fluid permeation characteristics, convective heat flow, thermal conduction and radiative heat transfer. Such interplays are illustrated with reference to three examples: (i) a thermal barrier coating in a gas turbine engine; (ii) a Space Shuttle tile; and (iii) a Stirling engine heat exchanger. Highly porous, permeable materials are often made by bonding fibres together into a network structure and much of the analysis presented here is oriented towards such materials.

The transferability of Western concepts to other cultures: validation of the Zuckerman-Kuhlman Personality Questionnaire in a Saudi Arabic context.

PubMed

Mahmood, Syed Imran; Daim, Syed Abdul; Borleffs, Jan C C; Heijne-Penninga, Marjolein; Schönrock-Adema, Johanna

2015-04-01

The importance of medical education research in Saudi Arabia has been acknowledged increasingly and a lot of concepts used have been derived from the Western world. The question arises, however, whether Western concepts and questionnaires are transferable to societies with different cultures. The aim of this study was to investigate the instrument structure and the reliability of the Arabic version of the Zuckerman-Kuhlman Personality Questionnaire-medium (ZKPQ-m). Three statistical methods with decreased amount of strictness were used to analyse our data: Confirmatory Factor Analysis, Procrustes rotation and Principal Component Analysis. Our outcomes did not confirm the original instrument structure. Instead, we found four interpretable components: Emotional Instability, Impulse-seeking, Activeness and Self-Control. However, the amount of explained variance was not very high and the internal consistencies ranged from unsatisfactory to only moderate. The data showed a high percentage of respondents agreeing with more than three items of the Infrequency scale, which may be attributable to the collectivistic culture in Saudi Arabia. We did not succeed in replicating the ZKPQ structure in the Arabic context. Social desirability, a common characteristic in collectivistic cultures, may have reduced the replicability of the internal structure of the ZKPQ-m. Different methods to measure concepts in collectivistic cultures may help to get round social desirability.

Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer

NASA Astrophysics Data System (ADS)

Yao, Hiroshi; Tsubota, Shuhei

2017-08-01

In this article, isolation, exploration of electronic structures, and nuclearity conversion of water-soluble triphenylphosphine monosulfonate (TPPS)-protected nonagold (Au9) clusters are outlined. The Au9 clusters are obtained by the reduction of solutions containing TPPS and HAuCl4 and subsequent electrophoretic fractionation. Mass spectrometry and elemental analysis reveal the formation of [Au9(TPPS)8]5- nonagold cluster. UV-vis absorption and magnetic circular dichroism (MCD) spectra of aqueous [Au9(TPPS)8]5- are quite similar to those of [Au9(PPh3)8]3+ in organic solvent, so the solution-phase structures are likely similar for both systems. Simultaneous deconvolution analysis of absorption and MCD spectra demonstrates the presence of some weak electronic transitions that are essentially unresolved in the UV-vis absorption. Quantum chemical calculations for a model compound [Au9(pH3)8]3+ show that the possible (solution-phase) skeletal structure of the nonagold cluster has D2h core symmetry rather than C4-symmetrical centered crown conformation, which is known as the crystal form of the Au9 compound. Moreover, we find a new nuclearity conversion route from Au9 to Au8; that is, phase transfer of aqueous [Au9(TPPS)8]5- into chloroform using tetraoctylammonium bromide yields [Au8(TPPS)8]6- clusters in the absence of excess phosphine.

Elastic, inelastic, and 1-nucleon transfer channels in the 7Li+120Sn system

NASA Astrophysics Data System (ADS)

Kundu, A.; Santra, S.; Pal, A.; Chattopadhyay, D.; Tripathi, R.; Roy, B. J.; Nag, T. N.; Nayak, B. K.; Saxena, A.; Kailas, S.

2017-03-01

Background: Simultaneous description of major outgoing channels for a nuclear reaction by coupled-channels calculations using the same set of potential and coupling parameters is one of the difficult tasks to accomplish in nuclear reaction studies. Purpose: To measure the elastic, inelastic, and transfer cross sections for as many channels as possible in 7Li+120Sn system at different beam energies and simultaneously describe them by a single set of model calculations using fresco. Methods: Projectile-like fragments were detected using six sets of Si-detector telescopes to measure the cross sections for elastic, inelastic, and 1-nucleon transfer channels at two beam energies of 28 and 30 MeV. Optical model analysis of elastic data and coupled-reaction-channels (CRC) calculations that include around 30 reaction channels coupled directly to the entrance channel, with respective structural parameters, were performed to understand the measured cross sections. Results: Structure information available in the literature for some of the identified states did not reproduce the present data. Cross sections obtained from CRC calculations using a modified but single set of potential and coupling parameters were able to describe simultaneously the measured data for all the channels at both the measured energies as well as the existing data for elastic and inelastic cross sections at 44 MeV. Conclusions: Non-reproduction of some of the cross sections using the structure information available in the literature which are extracted from reactions involving different projectiles indicates that such measurements are probe dependent. New structural parameters were assigned for such states as well as for several new transfer states whose spectroscopic factors were not known.

Structures of glycans bound to receptors from saturation transfer difference (STD) NMR spectroscopy: quantitative analysis by using CORCEMA-ST.

PubMed

Enríquez-Navas, Pedro M; Guzzi, Cinzia; Muñoz-García, Juan C; Nieto, Pedro M; Angulo, Jesús

2015-01-01

Glycan-receptor interactions are of fundamental relevance for a large number of biological processes, and their kinetics properties (medium/weak binding affinities) make them appropriated to be studied by ligand observed NMR techniques, among which saturation transfer difference (STD) NMR spectroscopy has been shown to be a very robust and powerful approach. The quantitative analysis of the results from a STD NMR study of a glycan-receptor interaction is essential to be able to translate the resulting spectral intensities into a 3D molecular model of the complex. This chapter describes how to carry out such a quantitative analysis by means of the Complete Relaxation and Conformational Exchange Matrix Approach for STD NMR (CORCEMA-ST), in general terms, and an example of a previous work on an antibody-glycan interaction is also shown.

Development of a thermal and structural analysis procedure for cooled radial turbines

NASA Technical Reports Server (NTRS)

Kumar, Ganesh N.; Deanna, Russell G.

1988-01-01

A procedure for computing the rotor temperature and stress distributions in a cooled radial turbine are considered. Existing codes for modeling the external mainstream flow and the internal cooling flow are used to compute boundary conditions for the heat transfer and stress analysis. The inviscid, quasi three dimensional code computes the external free stream velocity. The external velocity is then used in a boundary layer analysis to compute the external heat transfer coefficients. Coolant temperatures are computed by a viscous three dimensional internal flow cade for the momentum and energy equation. These boundary conditions are input to a three dimensional heat conduction code for the calculation of rotor temperatures. The rotor stress distribution may be determined for the given thermal, pressure and centrifugal loading. The procedure is applied to a cooled radial turbine which will be tested at the NASA Lewis Research Center. Representative results are given.

An Analysis of Cassini Observations Regarding the Structure of Jupiter's Equatorial Atmosphere

NASA Technical Reports Server (NTRS)

Choi, David S.; Simon-Miller, Amy A.

2012-01-01

A variety of intriguing atmospheric phenomena reside on both sides of Jupiter's equator. 5-micron bright hot spots and opaque plumes prominently exhibit dynamic behavior to the north, whereas compact, dark chevron-shaped features and isolated anticyclonic disturbances periodically occupy the southern equatorial latitudes. All of these phenomena are associated with the vertical and meridional perturbations of Rossby waves disturbing the mean atmospheric state. As previous observational analysis and numerical simulations have investigated the dynamics of the region, an examination of the atmosphere's vertical structure though radiative transfer analysis is necessary for improved understanding of this unique environment. Here we present preliminary analysis of a multispectral Cassini imaging data set acquired during the spacecraft's flyby of Jupiter in 2000. We evaluated multiple methane and continuum spectral channels at available viewing angles to improve constraints on the vertical structure of the haze and cloud layers comprising these interesting features. Our preliminary results indicate distinct differences in the structure for both hemispheres. Upper troposphere hazes and cloud layers are prevalent in the northern equatorial latitudes, but are not present in corresponding southern latitudes. Continued analysis will further constrain the precise structure present in these phenomena and the differences between them.

Simplified and refined structural modeling for economical flutter analysis and design

NASA Technical Reports Server (NTRS)

Ricketts, R. H.; Sobieszczanski, J.

1977-01-01

A coordinated use of two finite-element models of different levels of refinement is presented to reduce the computer cost of the repetitive flutter analysis commonly encountered in structural resizing to meet flutter requirements. One model, termed a refined model (RM), represents a high degree of detail needed for strength-sizing and flutter analysis of an airframe. The other model, called a simplified model (SM), has a relatively much smaller number of elements and degrees-of-freedom. A systematic method of deriving an SM from a given RM is described. The method consists of judgmental and numerical operations to make the stiffness and mass of the SM elements equivalent to the corresponding substructures of RM. The structural data are automatically transferred between the two models. The bulk of analysis is performed on the SM with periodical verifications carried out by analysis of the RM. In a numerical example of a supersonic cruise aircraft with an arrow wing, this approach permitted substantial savings in computer costs and acceleration of the job turn-around.

Probabilistic Structural Analysis Program

NASA Technical Reports Server (NTRS)

Pai, Shantaram S.; Chamis, Christos C.; Murthy, Pappu L. N.; Stefko, George L.; Riha, David S.; Thacker, Ben H.; Nagpal, Vinod K.; Mital, Subodh K.

2010-01-01

NASA/NESSUS 6.2c is a general-purpose, probabilistic analysis program that computes probability of failure and probabilistic sensitivity measures of engineered systems. Because NASA/NESSUS uses highly computationally efficient and accurate analysis techniques, probabilistic solutions can be obtained even for extremely large and complex models. Once the probabilistic response is quantified, the results can be used to support risk-informed decisions regarding reliability for safety-critical and one-of-a-kind systems, as well as for maintaining a level of quality while reducing manufacturing costs for larger-quantity products. NASA/NESSUS has been successfully applied to a diverse range of problems in aerospace, gas turbine engines, biomechanics, pipelines, defense, weaponry, and infrastructure. This program combines state-of-the-art probabilistic algorithms with general-purpose structural analysis and lifting methods to compute the probabilistic response and reliability of engineered structures. Uncertainties in load, material properties, geometry, boundary conditions, and initial conditions can be simulated. The structural analysis methods include non-linear finite-element methods, heat-transfer analysis, polymer/ceramic matrix composite analysis, monolithic (conventional metallic) materials life-prediction methodologies, boundary element methods, and user-written subroutines. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. NASA/NESSUS 6.2c is structured in a modular format with 15 elements.

Heat transfer assembly for a fluorescent lamp and fixture

DOEpatents

Siminovitch, M.J.; Rubenstein, F.M.; Whitman, R.E.

1992-12-29

In a lighting fixture including a lamp and a housing, a heat transfer structure is disclosed for reducing the minimum lamp wall temperature of a fluorescent light bulb. The heat transfer structure, constructed of thermally conductive material, extends from inside the housing to outside the housing, transferring heat energy generated from a fluorescent light bulb to outside the housing where the heat energy is dissipated to the ambient air outside the housing. Also disclosed is a method for reducing minimum lamp wall temperatures. Further disclosed is an improved lighting fixture including a lamp, a housing and the aforementioned heat transfer structure. 11 figs.

Biomimetics: its practice and theory.

PubMed

Vincent, Julian F V; Bogatyreva, Olga A; Bogatyrev, Nikolaj R; Bowyer, Adrian; Pahl, Anja-Karina

2006-08-22

Biomimetics, a name coined by Otto Schmitt in the 1950s for the transfer of ideas and analogues from biology to technology, has produced some significant and successful devices and concepts in the past 50 years, but is still empirical. We show that TRIZ, the Russian system of problem solving, can be adapted to illuminate and manipulate this process of transfer. Analysis using TRIZ shows that there is only 12% similarity between biology and technology in the principles which solutions to problems illustrate, and while technology solves problems largely by manipulating usage of energy, biology uses information and structure, two factors largely ignored by technology.

Glutaric acidemia type II: gene structure and mutations of the electron transfer flavoprotein:ubiquinone oxidoreductase (ETF:QO) gene.

PubMed

Goodman, Stephen I; Binard, Robert J; Woontner, Michael R; Frerman, Frank E

2002-01-01

Glutaric acidemia type II is a human inborn error of metabolism which can be due to defects in either subunit of electron transfer flavoprotein (ETF) or in ETF:ubiquinone oxidoreductase (ETF:QO), but few disease-causing mutations have been described. The ETF:QO gene is located on 4q33, and contains 13 exons. Primers to amplify these exons are presented, together with mutations identified by molecular analysis of 20 ETF:QO-deficient patients. Twenty-one different disease-causing mutations were identified on 36 of the 40 chromosomes.

Crystal Structure and Catalytic Mechanism of 7-Hydroxymethyl Chlorophyll a Reductase*

PubMed Central

Wang, Xiao; Liu, Lin

2016-01-01

7-Hydroxymethyl chlorophyll a reductase (HCAR) catalyzes the second half-reaction in chlorophyll b to chlorophyll a conversion. HCAR is required for the degradation of light-harvesting complexes and is necessary for efficient photosynthesis by balancing the chlorophyll a/b ratio. Reduction of the hydroxymethyl group uses redox cofactors [4Fe-4S] cluster and FAD to transfer electrons and is difficult because of the strong carbon-oxygen bond. Here, we report the crystal structure of Arabidopsis HCAR at 2.7-Å resolution and reveal that two [4Fe-4S]clusters and one FAD within a very short distance form a consecutive electron pathway to the substrate pocket. In vitro kinetic analysis confirms the ferredoxin-dependent electron transport chain, thus supporting a proton-activated electron transfer mechanism. HCAR resembles a partial reconstruction of an archaeal F420-reducing [NiFe] hydrogenase, which suggests a common mode of efficient proton-coupled electron transfer through conserved cofactor arrangements. Furthermore, the trimeric form of HCAR provides a biological clue of its interaction with light-harvesting complex II. PMID:27072131

Modeling of trim panels in the energy finite element analysis

NASA Astrophysics Data System (ADS)

Moravaeji, Seyed-Javid

Modeling a trim panel is divided into finding the power exchange through two different paths: (i) the connection of the outer and inner panels (ii) through the layers directly. The vibrational power exchanged through the mounts is modeled as the connection of two parallel plates connected via a beam. Wave matrices representing plates and beams are derived separately; then a matrix method is proposed to solve for the wave amplitudes and hence the vibrational power exchange between the plates accordingly. A closed form formula for the case of connection of two identical plates is derived. For the power transmission loss directly through the layers, first transfer matrices representing layers made of different materials is considered. New matrices for a porous layer are derived. A method of finding the layered structure transfer matrix is proposed. It is concluded that in general a single isotropic layer cannot replace a structure accurately. Finally, on the basis of an equivalent transfer matrix, an optimization process for is proposed to replace the panel by a suitable set of layers.

Optical and positron annihilation spectroscopic studies on PMMA polymer doped by rhodamine B/chloranilic acid charge transfer complex: Special relevance to the effect of γ-ray irradiation

NASA Astrophysics Data System (ADS)

Hassan, H. E.; Refat, Moamen S.; Sharshar, T.

2016-04-01

Polymeric sheets of poly (methylmethaclyerate) (PMMA) containing charge transfer (CT) complex of rhodamine B/chloranilic acid (Rho B/CHA) were synthesized in methanol solvent at room temperature. The systematic analysis done on the Rho B and its CT complex in the form of powder or polymeric sheets confirmed their structure and thermal stability. The IR spectra interpreted the charge transfer mode of interaction between the CHA central positions and the terminal carboxylic group. The polymer sheets were irradiated with 70 kGy of γ radiation using 60Co source to study the enhanced changes in the structure and optical parameters. The microstructure changes of the PMMA sheets caused by γ-ray irradiation were analyzed using positron annihilation lifetime (PAL) and positron annihilation Doppler broadening (PADB) techniques. The positron life time components (τi) and their corresponding intensities (Ii) as well as PADB line-shape parameters (S and W) were found to be highly sensitive to the enhanced disorder occurred in the organic chains of the polymeric sheets due to γ-irradiation.

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation

PubMed Central

Oka, Hisaki

2016-01-01

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature. PMID:27173144

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation

NASA Astrophysics Data System (ADS)

Oka, Hisaki

2016-05-01

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature.

Role of an elliptical structure in photosynthetic energy transfer: Collaboration between quantum entanglement and thermal fluctuation.

PubMed

Oka, Hisaki

2016-05-13

Recent experiments have revealed that the light-harvesting complex 1 (LH1) in purple photosynthetic bacteria has an elliptical structure. Generally, symmetry lowering in a structure leads to a decrease in quantum effects (quantum coherence and entanglement), which have recently been considered to play a role in photosynthetic energy transfer, and hence, elliptical structure seems to work against efficient photosynthetic energy transfer. Here we analyse the effect of an elliptical structure on energy transfer in a purple photosynthetic bacterium and reveal that the elliptical distortion rather enhances energy transfer from peripheral LH2 to LH1 at room temperature. Numerical results show that quantum entanglement between LH1 and LH2 is formed over a wider range of high energy levels than would have been the case with circular LH1. Light energy absorbed by LH2 is thermally pumped via thermal fluctuation and is effectively transferred to LH1 through the entangled states at room temperature rather than at low temperature. This result indicates the possibility that photosynthetic systems adopt an elliptical structure to effectively utilise both quantum entanglement and thermal fluctuation at physiological temperature.

Methyl Transfer by Substrate Signaling from a Knotted Protein Fold

PubMed Central

Christian, Thomas; Sakaguchi, Reiko; Perlinska, Agata P.; Lahoud, Georges; Ito, Takuhiro; Taylor, Erika A.; Yokoyama, Shigeyuki; Sulkowska, Joanna I.; Hou, Ya-Ming

2017-01-01

Proteins with knotted configurations are restricted in conformational space relative to unknotted proteins. Little is known if knotted proteins have sufficient dynamics to communicate between spatially separated substrate-binding sites. In bacteria, TrmD is a methyl transferase that uses a knotted protein fold to catalyze methyl transfer from S-adenosyl methionine (AdoMet) to G37-tRNA. The product m1G37-tRNA is essential for life as a determinant to maintain protein synthesis reading-frame. Using an integrated approach of structure, kinetic, and computational analysis, we show here that the structurally constrained TrmD knot is required for its catalytic activity. Unexpectedly, the TrmD knot has complex internal movements that respond to AdoMet binding and signaling. Most of the signaling propagates the free energy of AdoMet binding to stabilize tRNA binding and to assemble the active site. This work demonstrates new principles of knots as an organized structure that captures the free energies of substrate binding to facilitate catalysis. PMID:27571175

Structural insights into RNA processing by the human RISC-loading complex.

PubMed

Wang, Hong-Wei; Noland, Cameron; Siridechadilok, Bunpote; Taylor, David W; Ma, Enbo; Felderer, Karin; Doudna, Jennifer A; Nogales, Eva

2009-11-01

Targeted gene silencing by RNA interference (RNAi) requires loading of a short guide RNA (small interfering RNA (siRNA) or microRNA (miRNA)) onto an Argonaute protein to form the functional center of an RNA-induced silencing complex (RISC). In humans, Argonaute2 (AGO2) assembles with the guide RNA-generating enzyme Dicer and the RNA-binding protein TRBP to form a RISC-loading complex (RLC), which is necessary for efficient transfer of nascent siRNAs and miRNAs from Dicer to AGO2. Here, using single-particle EM analysis, we show that human Dicer has an L-shaped structure. The RLC Dicer's N-terminal DExH/D domain, located in a short 'base branch', interacts with TRBP, whereas its C-terminal catalytic domains in the main body are proximal to AGO2. A model generated by docking the available atomic structures of Dicer and Argonaute homologs into the RLC reconstruction suggests a mechanism for siRNA transfer from Dicer to AGO2.

In vitro assembly of a prohead-like structure of the Rhodobacter capsulatus gene transfer agent

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spano, Anthony J.; Chen, Frank S.; Goodman, Benjamin E.

2007-07-20

The gene transfer agent (GTA) is a phage-like particle capable of exchanging double-stranded DNA fragments between cells of the photosynthetic bacterium Rhodobacter capsulatus. Here we show that the major capsid protein of GTA, expressed in E. coli, can be assembled into prohead-like structures in the presence of calcium ions in vitro. Transmission electron microscopy (TEM) of uranyl acetate staining material and thin sections of glutaraldehyde-fixed material demonstrates that these associates have spherical structures with diameters in the range of 27-35 nm. The analysis of scanning TEM images revealed particles of mass {approx} 4.3 MDa, representing 101 {+-} 11 copies ofmore » the monomeric subunit. The establishment of this simple and rapid method to form prohead-like particles permits the GTA system to be used for genome manipulation within the photosynthetic bacterium, for specific targeted drug delivery, and for the construction of biologically based distributed autonomous sensors for environmental monitoring.« less

A novel method for the fabrication of microfluidic devices by photopolymerization of polymethylmethacrylate

NASA Astrophysics Data System (ADS)

Forstater, Jacob; Augustine, Brian; Hughes, Chris

2006-11-01

We have developed a new technique for the rapid fabrication of structures useful for microfluidic devices called micromolding by photopolymerization in capillaries (μ-PIC). The technique involves the replication of features from a silicon master in which features on the order of tens to hundreds of microns have been formed by crystallographic etching. The negative of the features is then transferred to a sheet of polymethylmethacrylate (PMMA) by placing the PMMA sheet over the silicon master and injecting a solution of methylmethacrylate monomer with a benzoin methyl ether photoinitiator. This solution is drawn between the PMMA and the silicon by capillary action forming a liquid layer that is no more than a few hundred microns thick. This liquid is then polymerized by exposure to ultraviolet light for less than a half hour. The features transferred in this manner have nearly identical surface structure and roughness. Analysis of these surfaces and structures by atomic force microscopy and scanning electron microscopy will be presented.

Structural and preliminary molecular dynamics studies of the Rhodobacter sphaeroides reaction center and its mutant form L(M196)H + H(M202)L

NASA Astrophysics Data System (ADS)

Klyashtorny, V. G.; Fufina, T. Yu.; Vasilieva, L. G.; Shuvalov, V. A.; Gabdulkhakov, A. G.

2014-07-01

Pigment-protein interactions are responsible for the high efficiency of the light-energy transfer and conversion in photosynthesis. The reaction center (RC) from the purple bacterium Rhodobacter sphaeroides is the most convenient model for studying the mechanisms of primary processes of photosynthesis. Site-directed mutagenesis can be used to study the effect of the protein environment of electron-transfer cofactors on the optical properties, stability, pigment composition, and functional activity of RC. The preliminary analysis of RC was performed by computer simulation of the amino acid substitutions L(M196)H + H(M202)L at the pigment-protein interface and by estimating the stability of the threedimensional structure of the mutant RC by the molecular dynamics method. The doubly mutated reaction center was overexpressed, purified, and crystallized. The three-dimensional structure of this mutant was determined by X-ray crystallography and compared with the molecular dynamics model.

Investigation of the redox-dependent modulation of structure and dynamics in human cytochrome c

DOE Office of Scientific and Technical Information (OSTI.GOV)

Imai, Mizue; Saio, Tomohide; Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810

2016-01-22

Redox-dependent changes in the structure and dynamics of human cytochrome c (Cyt c) were investigated by solution NMR. We found significant structural changes in several regions, including residues 23–28 (loop 3), which were further corroborated by chemical shift differences between the reduced and oxidized states of Cyt c. These differences are essential for discriminating redox states in Cyt c by cytochrome c oxidase (CcO) during electron transfer reactions. Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion experiments identified that the region around His33 undergoes conformational exchanges on the μs-ms timescale, indicating significant redox-dependent structural changes. Because His33 is not part of the interaction sitemore » for CcO, our data suggest that the dynamic properties of the region, which is far from the interaction site for CcO, contribute to conformational changes during electron transfer to CcO. - Highlights: • Solution structure and dynamics analysis for human Cyt c by NMR. • Structural changes responsible for the discrimination of the redox state in Cyt c. • Conformational exchange in the region outside of the interaction site for CcO. • Less flexibility and rigid structure of the interaction site on Cyt c for CcO.« less

Computational analysis of nanofluids: A review

NASA Astrophysics Data System (ADS)

Qureshi, M. Zubair Akbar; Ashraf, Muhammad

2018-02-01

Nanofluids and heat transfer enhancement in real systems continue to be a widely research area of nanotechnology. An effort has been made to give a comprehensive review on time-wise development from different aspects of the nanofluids. The exceptional structures of nanofluids, for example, dispersion of nanoparticles volume fraction, thermophoresis phenomenon, Brownian motion, improvement in thermal conductivity, and especially heat transfer enhancement, etc., have been addressed in a mathematical perspective. The influence of important parameters like particle's (loading, material, size and shape-factor), base fluids type, temperature, additives, clustering and p H value has been considered. In addition, the summary-chart is presented for a better understanding of the mathematical structure of the Newtonian as well as non-Newtonian nanofluids. Some important results have been discussed for future work. This review article will be helpful for scientists and researchers.

Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif.

PubMed

Er, Tze-Kiong; Chen, Chih-Chieh; Liu, Yen-Yi; Chang, Hui-Chiu; Chien, Yin-Hsiu; Chang, Jan-Gowth; Hwang, Jenn-Kang; Jong, Yuh-Jyh

2011-10-21

Multiple acyl-coenzyme A dehydrogenase deficiency (MADD) is an autosomal recessive disease caused by the defects in the mitochondrial electron transfer system and the metabolism of fatty acids. Recently, mutations in electron transfer flavoprotein dehydrogenase (ETFDH) gene, encoding electron transfer flavoprotein:ubiquinone oxidoreductase (ETF:QO) have been reported to be the major causes of riboflavin-responsive MADD. To date, no studies have been performed to explore the functional impact of these mutations or their mechanism of disrupting enzyme activity. High resolution melting (HRM) analysis and sequencing of the entire ETFDH gene revealed a novel mutation (p.Phe128Ser) and the hotspot mutation (p.Ala84Thr) from a patient with MADD. According to the predicted 3D structure of ETF:QO, the two mutations are located within the flavin adenine dinucleotide (FAD) binding domain; however, the two residues do not have direct interactions with the FAD ligand. Using molecular dynamics (MD) simulations and normal mode analysis (NMA), we found that the p.Ala84Thr and p.Phe128Ser mutations are most likely to alter the protein structure near the FAD binding site as well as disrupt the stability of the FAD binding required for the activation of ETF:QO. Intriguingly, NMA revealed that several reported disease-causing mutations in the ETF:QO protein show highly correlated motions with the FAD-binding site. Based on the present findings, we conclude that the changes made to the amino acids in ETF:QO are likely to influence the FAD-binding stability.

Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif

PubMed Central

2011-01-01

Background Multiple acyl-coenzyme A dehydrogenase deficiency (MADD) is an autosomal recessive disease caused by the defects in the mitochondrial electron transfer system and the metabolism of fatty acids. Recently, mutations in electron transfer flavoprotein dehydrogenase (ETFDH) gene, encoding electron transfer flavoprotein:ubiquinone oxidoreductase (ETF:QO) have been reported to be the major causes of riboflavin-responsive MADD. To date, no studies have been performed to explore the functional impact of these mutations or their mechanism of disrupting enzyme activity. Results High resolution melting (HRM) analysis and sequencing of the entire ETFDH gene revealed a novel mutation (p.Phe128Ser) and the hotspot mutation (p.Ala84Thr) from a patient with MADD. According to the predicted 3D structure of ETF:QO, the two mutations are located within the flavin adenine dinucleotide (FAD) binding domain; however, the two residues do not have direct interactions with the FAD ligand. Using molecular dynamics (MD) simulations and normal mode analysis (NMA), we found that the p.Ala84Thr and p.Phe128Ser mutations are most likely to alter the protein structure near the FAD binding site as well as disrupt the stability of the FAD binding required for the activation of ETF:QO. Intriguingly, NMA revealed that several reported disease-causing mutations in the ETF:QO protein show highly correlated motions with the FAD-binding site. Conclusions Based on the present findings, we conclude that the changes made to the amino acids in ETF:QO are likely to influence the FAD-binding stability. PMID:22013910

Electronic structure, charge transfer, and intrinsic luminescence of gadolinium oxide nanoparticles: Experiment and theory

NASA Astrophysics Data System (ADS)

Zatsepin, D. A.; Boukhvalov, D. W.; Zatsepin, A. F.; Kuznetsova, Yu. A.; Mashkovtsev, M. A.; Rychkov, V. N.; Shur, V. Ya.; Esin, A. A.; Kurmaev, E. Z.

2018-04-01

The cubic (c) and monoclinic (m) polymorphs of Gd2O3 were studied using the combined analysis of several materials science techniques - X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL) spectroscopy. Density functional theory (DFT) based calculations for the samples under study were performed as well. The cubic phase of gadolinium oxide (c-Gd2O3) synthesized using a precipitation method exhibits spheroidal-like nanoclusters with well-defined edges assembled from primary nanoparticles with an average size of 50 nm, whereas the monoclinic phase of gadolinium oxide (m-Gd2O3) deposited using explosive pyrolysis has a denser structure compared with natural gadolinia. This phase also has a structure composed of three-dimensional complex agglomerates without clear-edged boundaries that are ∼21 nm in size plus a cubic phase admixture of only 2 at.% composed of primary edge-boundary nanoparticles ∼15 nm in size. These atomic features appear in the electronic structure as different defects ([Gd…Osbnd OH] and [Gd…Osbnd O]) and have dissimilar contributions to the charge-transfer processes among the appropriate electronic states with ambiguous contributions in the Gd 5р - O 2s core-like levels in the valence band structures. The origin of [Gd…Osbnd OH] defects found by XPS was well-supported by PL analysis. The electronic and atomic structures of the synthesized gadolinias calculated using DFT were compared and discussed on the basis of the well-known joint OKT-van der Laan model, and good agreement was established.

Improvement of finite element meshes - Heat transfer in an infinite cylinder

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1989-01-01

An extension of a structural finite element mesh improvement technique to heat conduction analysis is presented. The mesh improvement concept was originally presented by Prager in studying tapered, axially loaded bars. It was further shown that an improved mesh can be obtained by minimizing the trace of the stiffnes matrix. These procedures are extended and applied to the analysis of heat conduction in an infinitely long hollow circular cylinder.

Radial turbine cooling

NASA Technical Reports Server (NTRS)

Roelke, Richard J.

1992-01-01

The technology of high temperature cooled radial turbines is reviewed. Aerodynamic performance considerations are described. Heat transfer and structural analysis are addressed, and in doing so the following topics are covered: cooling considerations, hot side convection, coolant side convection, and rotor mechanical analysis. Cooled rotor concepts and fabrication are described, and the following are covered in this context: internally cooled rotor, hot isostatic pressure bonded rotor, laminated rotor, split blade rotor, and the NASA radial turbine program.

Improvement in finite element meshes: Heat transfer in an infinite cylinder

NASA Technical Reports Server (NTRS)

Kittur, Madan G.; Huston, Ronald L.; Oswald, Fred B.

1988-01-01

An extension of a structural finite element mesh improvement technique to heat conduction analysis is presented. The mesh improvement concept was originally presented by Prager in studying tapered, axially loaded bars. It was further shown that an improved mesh can be obtained by minimizing the trace of the stiffness matrix. These procedures are extended and applied to the analysis of heat conduction in an infinitely long hollow circular cylinder.

Turbine Engine Hot Section Technology 1986

NASA Technical Reports Server (NTRS)

1986-01-01

The Turbine Engine Hot Section Technology (HOST) Project of the NASA Lewis Research Center sponsored a workshop to discuss current research pertinent to turbine engine durability problems. Presentations were made concerning the hot section environment and the behavior of combustion liners, turbine blades, and turbine vanes. The presentations were divided into six sessions: Instrumentation, Combustion, Turbine Heat Transfer, Structural Analysis, Fatigue and Fracture, and Surface Protection. Topics discussed included modeling of thermal and fluid-flow phenomena, structural analysis, fatigue and fracture, surface protective coatings, constitutive behavior of materials, stress-strain response, and life-prediction methods. Researchers from industry, academia, and government presented results of their work sponsored by the HOST project.

Development of an engineering analysis of progressive damage in composites during low velocity impact

NASA Technical Reports Server (NTRS)

Humphreys, E. A.

1981-01-01

A computerized, analytical methodology was developed to study damage accumulation during low velocity lateral impact of layered composite plates. The impact event was modeled as perfectly plastic with complete momentum transfer to the plate structure. A transient dynamic finite element approach was selected to predict the displacement time response of the plate structure. Composite ply and interlaminar stresses were computed at selected time intervals and subsequently evaluated to predict layer and interlaminar damage. The effects of damage on elemental stiffness were then incorporated back into the analysis for subsequent time steps. Damage predicted included fiber failure, matrix ply failure and interlaminar delamination.

Spectroscopic investigation (FT-IR, FT-Raman), HOMO-LUMO, NBO, and molecular docking analysis of N-ethyl-N-nitrosourea, a potential anticancer agent

NASA Astrophysics Data System (ADS)

Singh, Priyanka; Islam, S. S.; Ahmad, Hilal; Prabaharan, A.

2018-02-01

Nitrosourea plays an important role in the treatment of cancer. N-ethyl-N-nitrosourea, also known as ENU, (chemical formula C3H7N3O2), is a highly potent mutagen. The chemical is an alkylating agent and acts by transferring the ethyl group of ENU to nucleobases (usually thymine) in nucleic acids. The molecular structure of N-ethyl-N-nitrosourea has been elucidated using experimental (FT-IR and FT-Raman) and theoretical (DFT) techniques. APT charges, Mulliken atomic charges, Natural bond orbital, Electrostatic potential, HOMO-LUMO and AIM analysis were performed to identify the reactive sites and charge transfer interactions. Furthermore, to evaluate the anticancer activity of ENU molecular docking studies were carried out against 2JIU protein.

Intramolecular three-colour single pair FRET of intrinsically disordered proteins with increased dynamic range.

PubMed

Milles, Sigrid; Koehler, Christine; Gambin, Yann; Deniz, Ashok A; Lemke, Edward A

2012-10-01

Single molecule observation of fluorescence resonance energy transfer can be used to provide insight into the structure and dynamics of proteins. Using a straightforward triple-colour labelling strategy, we present a measurement and analysis scheme that can simultaneously study multiple regions within single intrinsically disordered proteins.

Intramolecular Three-Colour Single Pair FRET of Intrinsically Disordered Proteins with Increased Dynamic Range

PubMed Central

Milles, Sigrid; Koehler, Christine; Gambin, Yann

2012-01-01

Single molecule observation of fluorescence resonance energy transfer can be used to provide insights into the structure and dynamics of proteins. Using a straightforward triple-colour labelling strategy, we present a measurement and analysis scheme that can simultaneously study multiple regions within single intrinsically disordered proteins. PMID:22739670

The Role of Problem Specification Workshops in Extension: An IPM Example.

ERIC Educational Resources Information Center

Foster, John; And Others

1995-01-01

Of three extension models--top-down technology transfer, farmers-first approach, and participatory research--the latter extends elements of the other two into a more comprehensive analysis of a problem and specification of solution strategies. An Australian integrated pest management (IPM) example illustrates how structured workshops are a useful…

The Darzens Condensation: Structure Determination through Spectral Analysis and Understanding Substrate Reactivity

ERIC Educational Resources Information Center

Crouch, R. David; Holden, Michael S.; Romany, Candice A.

2004-01-01

The use of KOH and a phase transfer catalyst to achieve diastereoselective Darzens condensation is described and a modification of the method for use in organic chemistry is carried out. The experiment involves the condensation of t-butyl chloroacentate and p-tolualdehyde with KOH and benzyltriethylammonium chloride in THF.

Understanding the Formation of Kinetically Stable Compounds and the Development of Thin Film Pair Distribution Function Analysis

NASA Astrophysics Data System (ADS)

Wood, Suzannah Rebecca

Navigating the synthesis landscape poses many challenges when developing novel solid state materials. Advancements in both synthesis and characterization are necessary to facilitate the targeting of specific materials. This dissertation discusses the formation of chalcogenide heterostructures and their properties in the first part and the development of thin film pair distribution function analysis (tfPDF) in the second part. The heterostructures were formed by the self-assembly of designed precursors deposited by physical vapor deposition in a modulated elemental reactants approach, which provides the control and predictability to synthesis. Specifically, a series of (BiSe)1+delta(TiSe2) n, where n = 2,3,&4, were synthesized to explore the extent of charge transfer from the BiSe to TiSe2 layers. To further explore the role Bi plays in charge donation, a family of structurally similar compounds, (Bix Sn1-xSe)1+deltaTiSe2, where 0≥x≥1, were synthesized and characterized. Electrical measurements show doping efficiency decreases as x increases, correlated with the structural distortion and the formation of periodic antiphase boundaries containing Bi-Bi pairs. The first heterostructures composed of three unique structural types were synthesized and Bi2Se3 layer thickness was used to tune electrical properties and further explore charge transfer. To better understand the potential energy landscape on which these kinetically stable compounds exist, two investigations were undertaken. The first was a study of the formation and subsequent decomposition of [(BiSe)1+delta]n(TiSe2)n compounds, where n= 2&3, the second an investigation of precursor structure for thermodynamically stable FeSb2 and kinetically stable FeSb3. The second section describes the development of thin film pair distribution function analysis, a technique in which total scattering data for pair distribution function (PDF) analysis is obtained from thin films, suitable for local structure analysis. This study illustrates how analysis of the local structure in amorphous precursor films can help to understand the crystallization processes of metastable phases and enables a range of new local structure studies of thin films. tfPDF was then demonstrated on In-Ga-O film materials and compared to traditional powder PDF analysis. This highlights differences between the products, and the utility of tfPDF to determined structural features of amorphous materials. This dissertation includes previously published and unpublished co-authored materials.

Finite element Analysis of Semi-Grouting Sleeve Connection Member Based on ABAQUS

NASA Astrophysics Data System (ADS)

Bao, Longsheng; Fan, Qianyu; Wang, Ling

2018-05-01

This paper use investigates the force transfer mechanism and failure form of semi-grouting sleeve members under axial load, analyze the weak points of structural bearing capacity and verify the reliability of the connection of steel bars through finite element analysis software. The results show that adding the axial load to semi-grouting sleeve forms a 45°oblique compression zone, which help to transfer stress between reinforcement, grouting material and sleeve. Because the maximum stress of sleeve doesn’t reach its tensile resistance and the deformation of the sleeve is located at the junction of the grouting and the threaded section when the stress value of steel bars at each end of the semi-grouting sleeve reach its ultimate tensile strength, we conclude that the semi-grouting sleeve members can meet the construction quality requirements and be used to connect the steel bars at the joints of the assembled structures. It is necessary to avoid breaking down, since the deformation section will accumulate large plastic deformation during the processing of the sleeve.

Structures and functions of proteins and nucleic acids in protein biosynthesis

NASA Astrophysics Data System (ADS)

Miyazawa, Tatsuo; Yokoyama, Shigeyuki

Infrared and Raman spectroscopy is useful for studying helical conformations of polypeptides, which are determined by molecular structure parameters. Nuclear magnetic resonance spectroscopy, as well as X-ray analysis, is now established to be important for conformation studies of proteins and nucleic acids in solution. This article is mainly concerned with the conformational aspect and function regulation in protein biosynthesis. The strict recognition of transfer ribonucleic acid (tRNA) by aminoacyl-tRNA synthetase (ARS) is achieved by multi-step mutual adaptation. The conformations of ARS-bound amino acids have been elucidated by transferred nuclear Overhauser effect analysis. Aminoacyl-tRNA takes the 3‧-isomeric form in the polypeptide chain elongation cycle. The regulation of codon recognition by post-transcriptional modification is achieved by conversion of the conformational characteristic of the anticodon of tRNA. The cytidine → lysidine modification of the anticodon of minor isoleucine tRNA concurrently converts the amino acid specificity and the codon specificity. As novel protein engineering, a basic strategy has been established for in vivo biosynthesis of proteins that are substituted with unnatural amino acids (alloproteins).

A theoretical study of structural and electronic properties of pentacene/Al(100) interface.

PubMed

Saranya, G; Nair, Shiny; Natarajan, V; Kolandaivel, P; Senthilkumar, K

2012-09-01

The first principle calculations within the framework of density functional theory have been performed for the pentacene molecule deposited on the aluminum Al(100) substrate to study the structural and electronic properties of the pentacene/Al(100) interface. The most stable configuration was found at bridge site with 45° rotation of the pentacene molecule on Al(100) surface with a vertical distance of 3.4 Å within LDA and 3.8 Å within GGA functionals. The calculated adsorption energy reveals that the adsorption of pentacene molecule on Al(100) surface is physisorption. For the stable adsorption geometry the electronic properties such as density of states (DOS), partial density of states (PDOS), Mulliken population analysis and Schottky barrier height are studied. The analysis of atomic charge, DOS and PDOS show that the charge is transferred from the Al(100) surface to pentacene molecule, and the transferred charge is about -0.05 electrons. For the adsorbed system, the calculated Schottky barrier height for hole and electron transport is 0.27 and 1.55 eV, respectively. Copyright © 2012 Elsevier Inc. All rights reserved.

Power flow as a complement to statistical energy analysis and finite element analysis

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1987-01-01

Present methods of analysis of the structural response and the structure-borne transmission of vibrational energy use either finite element (FE) techniques or statistical energy analysis (SEA) methods. The FE methods are a very useful tool at low frequencies where the number of resonances involved in the analysis is rather small. On the other hand SEA methods can predict with acceptable accuracy the response and energy transmission between coupled structures at relatively high frequencies where the structural modal density is high and a statistical approach is the appropriate solution. In the mid-frequency range, a relatively large number of resonances exist which make finite element method too costly. On the other hand SEA methods can only predict an average level form. In this mid-frequency range a possible alternative is to use power flow techniques, where the input and flow of vibrational energy to excited and coupled structural components can be expressed in terms of input and transfer mobilities. This power flow technique can be extended from low to high frequencies and this can be integrated with established FE models at low frequencies and SEA models at high frequencies to form a verification of the method. This method of structural analysis using power flo and mobility methods, and its integration with SEA and FE analysis is applied to the case of two thin beams joined together at right angles.

Heat Transfer Analysis of Thermal Protection Structures for Hypersonic Vehicles

NASA Astrophysics Data System (ADS)

Zhou, Chen; Wang, Zhijin; Hou, Tianjiao

2017-11-01

This research aims to develop an analytical approach to study the heat transfer problem of thermal protection systems (TPS) for hypersonic vehicles. Laplace transform and integral method are used to describe the temperature distribution through the TPS subject to aerodynamic heating during flight. Time-dependent incident heat flux is also taken into account. Two different cases with heat flux and radiation boundary conditions are studied and discussed. The results are compared with those obtained by finite element analyses and show a good agreement. Although temperature profiles of such problems can be readily accessed via numerical simulations, analytical solutions give a greater insight into the physical essence of the heat transfer problem. Furthermore, with the analytical approach, rapid thermal analyses and even thermal optimization can be achieved during the preliminary TPS design.

Bands dispersion and charge transfer in β-BeH2

NASA Astrophysics Data System (ADS)

Trivedi, D. K.; Galav, K. L.; Joshi, K. B.

2018-04-01

Predictive capabilities of ab-initio method are utilised to explore bands dispersion and charge transfer in β-BeH2. Investigations are carried out using the linear combination of atomic orbitals method at the level of density functional theory. The crystal structure and related parameters are settled by coupling total energy calculations with the Murnaghan equation of state. Electronic bands dispersion from PBE-GGA is reported. The PBE-GGA, and PBE0 hybrid functional, show that β-BeH2 is a direct gap semiconductor with 1.18 and 2.40 eV band gap. The band gap slowly decreases with pressure and beyond l00 GPa overlap of conduction and valence bands at the r point is observed. Charge transfer is studied by means of Mullikan population analysis.

Charge transfer complex between 2,3-diaminopyridine with chloranilic acid. Synthesis, characterization and DFT, TD-DFT computational studies

NASA Astrophysics Data System (ADS)

Al-Ahmary, Khairia M.; Habeeb, Moustafa M.; Al-Obidan, Areej H.

2018-05-01

New charge transfer complex (CTC) between the electron donor 2,3-diaminopyridine (DAP) with the electron acceptor chloranilic (CLA) acid has been synthesized and characterized experimentally and theoretically using a variety of physicochemical techniques. The experimental work included the use of elemental analysis, UV-vis, IR and 1H NMR studies to characterize the complex. Electronic spectra have been carried out in different hydrogen bonded solvents, methanol (MeOH), acetonitrile (AN) and 1:1 mixture from AN-MeOH. The molecular composition of the complex was identified to be 1:1 from Jobs and molar ratio methods. The stability constant was determined using minimum-maximum absorbances method where it recorded high values confirming the high stability of the formed complex. The solid complex was prepared and characterized by elemental analysis that confirmed its formation in 1:1 stoichiometric ratio. Both IR and NMR studies asserted the existence of proton and charge transfers in the formed complex. For supporting the experimental results, DFT computations were carried out using B3LYP/6-31G(d,p) method to compute the optimized structures of the reactants and complex, their geometrical parameters, reactivity parameters, molecular electrostatic potential map and frontier molecular orbitals. The analysis of DFT results strongly confirmed the high stability of the formed complex based on existing charge transfer beside proton transfer hydrogen bonding concordant with experimental results. The origin of electronic spectra was analyzed using TD-DFT method where the observed λmax are strongly consisted with the computed ones. TD-DFT showed the contributed states for various electronic transitions.

DFT investigation on the electronic structure of Faujasite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popeneciu, Horea; Calborean, Adrian; Tudoran, Cristian

2013-11-13

We report here first-principle pseudopotential DFT calculations to investigate relevant aspects of the electronic structure of zeolites based FAU. Fundamental molecular issues of the band-gap and electronic population analysis were reviewed under GGA/RPBE level of theory, corroborated with a DZP basis set and Troullier-Martins norm conserving pseudo-potentials. The atom-projected density of states and the analysis of HOMO-LUMO frontier orbitals at Gamma point were performed. Their electronic transfers are discussed through the alignment and relative positions of orbitals in order to determine the way that the molecule interacts with adsorbed molecules and other practical applications. Mulliken population analysis was employed formore » describing atomic charge distribution in the chosen systems.« less

Crystal structure of Pistol, a class of self-cleaving ribozyme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Laura A.; Wang, Jimin; Steitz, Thomas A.

2017-01-17

Small self-cleaving ribozymes have been discovered in all evolutionary domains of life. They can catalyze site-specific RNA cleavage, and as a result, they have relevance in gene regulation. Comparative genomic analysis has led to the discovery of a new class of small self-cleaving ribozymes named Pistol. We report the crystal structure of Pistol at 2.97-Å resolution. Our results suggest that the Pistol ribozyme self-cleavage mechanism likely uses a guanine base in the active site pocket to carry out the phosphoester transfer reaction. The guanine G40 is in close proximity to serve as the general base for activating the nucleophile bymore » deprotonating the 2'-hydroxyl to initiate the reaction (phosphoester transfer). Furthermore, G40 can also establish hydrogen bonding interactions with the nonbridging oxygen of the scissile phosphate. The proximity of G32 to the O5' leaving group suggests that G32 may putatively serve as the general acid. The RNA structure of Pistol also contains A-minor interactions, which seem to be important to maintain its tertiary structure and compact fold. Our findings expand the repertoire of ribozyme structures and highlight the conserved evolutionary mechanism used by ribozymes for catalysis.« less

S. pombe Uba1-Ubc15 Structure Reveals a Novel Regulatory Mechanism of Ubiquitin E2 Activity.

PubMed

Lv, Zongyang; Rickman, Kimberly A; Yuan, Lingmin; Williams, Katelyn; Selvam, Shanmugam Panneer; Woosley, Alec N; Howe, Philip H; Ogretmen, Besim; Smogorzewska, Agata; Olsen, Shaun K

2017-02-16

Ubiquitin (Ub) E1 initiates the Ub conjugation cascade by activating and transferring Ub to tens of different E2s. How Ub E1 cooperates with E2s that differ substantially in their predicted E1-interacting residues is unknown. Here, we report the structure of S. pombe Uba1 in complex with Ubc15, a Ub E2 with intrinsically low E1-E2 Ub thioester transfer activity. The structure reveals a distinct Ubc15 binding mode that substantially alters the network of interactions at the E1-E2 interface compared to the only other available Ub E1-E2 structure. Structure-function analysis reveals that the intrinsically low activity of Ubc15 largely results from the presence of an acidic residue at its N-terminal region. Notably, Ub E2 N termini are serine/threonine rich in many other Ub E2s, leading us to hypothesize that phosphorylation of these sites may serve as a novel negative regulatory mechanism of Ub E2 activity, which we demonstrate biochemically and in cell-based assays. Copyright © 2017 Elsevier Inc. All rights reserved.

The cost of concreteness: the effect of nonessential information on analogical transfer.

PubMed

Kaminski, Jennifer A; Sloutsky, Vladimir M; Heckler, Andrew F

2013-03-01

Most theories of analogical transfer focus on similarities between the learning and transfer domains, where transfer is more likely between domains that share common surface features, similar elements, or common interpretations of structure. We suggest that characteristics of the learning instantiation alone can give rise to different levels of transfer. We propose that concreteness of the learning instantiation can hinder analogical transfer of well-defined structured concepts, such as mathematical concepts. We operationalize the term concreteness as the amount of information communicated through a specific instantiation of a concept. The 5 reported experiments with undergraduate students tested the hypothesis by presenting participants with the concept of a commutative mathematical group of order 3. The experiments varied the level of concreteness of the training instantiation and measured transfer of learning to a new instantiation. The results support the hypothesis, demonstrating better transfer from more generic instantiations (i.e., ones that communicate minimal extraneous information) than from more concrete instantiations. Specifically, concreteness was found to create an obstacle to successful structural alignment across domains, whereas generic instantiations led to spontaneous structural alignment. These findings have important implications for the theory of learning and transfer and practical implications for the design of educational material. Although some concreteness may activate prior knowledge and perhaps offer a leg up in the learning process, this benefit may come at the cost of transfer.

Vibrational spectroscopic investigation and normal coordinate analysis of the fibrate hypolipidemic agent 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid (Gemfibrozil)

NASA Astrophysics Data System (ADS)

Priya, M. Siva; Benitta, T. Asenath; James, C.

2011-03-01

Colorless crystals of 5-(2,5-dimethylphenoxy)-2,2-dimethyl pentanoic acid were grown by slow evaporation method and the FT-IR and FT-Raman spectra of the sample were recorded in the region 4000-450 cm -1 and 4000-50 cm -1 respectively. Molecular structure is optimized with the help of B3LYP/6-31G (d) density functional theory method. Stability of the molecule arising from hyperconjugation and charge delocalization is confirmed by the natural bond orbital analysis (NBO). The results show that electron density (ED) in the σ ∗ antibonding orbitals and E (2) energies confirms the occurrence of intra-molecular charge transfer (ICT) within the molecule. The assignments of the vibrational spectra have been carried out with the help of Normal coordinate analysis following the scaled quantum mechanical force field (SQMFF) methodology. Mulliken population analysis on atomic charges is also calculated. The calculated HOMO and LUMO energy gap shows that charge transfer occurs within the molecule.

Integrated approach using data mining-based decision tree and object-based image analysis for high-resolution urban mapping of WorldView-2 satellite sensor data

NASA Astrophysics Data System (ADS)

Hamedianfar, Alireza; Shafri, Helmi Zulhaidi Mohd

2016-04-01

This paper integrates decision tree-based data mining (DM) and object-based image analysis (OBIA) to provide a transferable model for the detailed characterization of urban land-cover classes using WorldView-2 (WV-2) satellite images. Many articles have been published on OBIA in recent years based on DM for different applications. However, less attention has been paid to the generation of a transferable model for characterizing detailed urban land cover features. Three subsets of WV-2 images were used in this paper to generate transferable OBIA rule-sets. Many features were explored by using a DM algorithm, which created the classification rules as a decision tree (DT) structure from the first study area. The developed DT algorithm was applied to object-based classifications in the first study area. After this process, we validated the capability and transferability of the classification rules into second and third subsets. Detailed ground truth samples were collected to assess the classification results. The first, second, and third study areas achieved 88%, 85%, and 85% overall accuracies, respectively. Results from the investigation indicate that DM was an efficient method to provide the optimal and transferable classification rules for OBIA, which accelerates the rule-sets creation stage in the OBIA classification domain.

Conceptualizing the cross-cultural gaps in managing international aid: HIV/AIDS and TB project delivery in Southern Africa.

PubMed

Jackson, Terence

2011-01-01

There appears to be a gap between the billions of dollars inputted into fighting HIV/AIDS and TB and outcomes. This in part can be attributed to the lack of attention in International Development to managing programmes and projects within complex levels of cross-cultural interactions. International Development often ignores management issues, yet Management Studies is left wanting through a lack of engagement with development issues including the fight against disease and poverty. This paper attempts to link these two disciplines towards mutual benefit, through a critical cross-cultural approach. It provides contextualization of international development policies/strategies; conceptualization of dominant paradigms; structural analysis of how a programme/project fits into the global governance structure; analysis of complexities and levels of cross-cultural interaction and their consequences and the process and implications of knowledge transfer across cultural distances. It concludes with implications for policy and practice, as well as what is needed from cross-disciplinary research. This includes how feedback loops can be strengthened from local to global, how indigenous knowledge may be better understood and integrated, how power relations within the global governance structure could be managed, how cross-cultural interaction could be better understood, and how knowledge transfer/sharing should be critically managed. Copyright © 2010 John Wiley & Sons, Ltd.

Preliminary In-Flight Loads Analysis of In-Line Launch Vehicles using the VLOADS 1.4 Program

NASA Technical Reports Server (NTRS)

Graham, J. B.; Luz, P. L.

1998-01-01

To calculate structural loads of in-line launch vehicles for preliminary design, a very useful computer program is VLOADS 1.4. This software may also be used to calculate structural loads for upper stages and planetary transfer vehicles. Launch vehicle inputs such as aerodynamic coefficients, mass properties, propellants, engine thrusts, and performance data are compiled and analyzed by VLOADS to produce distributed shear loads, bending moments, axial forces, and vehicle line loads as a function of X-station along the vehicle's length. Interface loads, if any, and translational accelerations are also computed. The major strength of the software is that it enables quick turnaround analysis of structural loads for launch vehicles during the preliminary design stage of its development. This represents a significant improvement over the alternative-the time-consuming, and expensive chore of developing finite element models. VLOADS was developed as a Visual BASIC macro in a Microsoft Excel 5.0 work book on a Macintosh. VLOADS has also been implemented on a PC computer using Microsoft Excel 7.0a for Windows 95. VLOADS was developed in 1996, and the current version was released to COSMIC, NASA's Software Technology Transfer Center, in 1997. The program is a copyrighted work with all copyright vested in NASA.

Preliminary Design and Analysis of an In-plane PRSEUS Joint

NASA Technical Reports Server (NTRS)

Lovejoy, Andrew E.; Poplawski, Steven

2013-01-01

As part of the National Aeronautics and Space Administration's (NASA's) Environmentally Responsible Aviation (ERA) program, the Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) has been designed, developed and tested. However, PRSEUS development efforts to date have only addressed joints required to transfer bending moments between PRSEUS panels. Development of in-plane joints for the PRSEUS concept is necessary to facilitate in-plane transfer of load from PRSEUS panels to an adjacent structure, such as from a wing panel into a fuselage. This paper presents preliminary design and analysis of an in-plane PRSEUS joint for connecting PRSEUS panels at the termination of the rod-stiffened stringers. Design requirements are provided, the PRSEUS blade joint concept is presented, and preliminary design changes and analyses are carried out to examine the feasibility of the proposed in-plane PRSEUS blade joint. The study conducted herein focuses mainly on the PRSEUS structure on one side of the joint. In particular, the design requirements for the rod shear stress and bolt bearing stress are examined. A PRSEUS blade joint design was developed that demonstrates the feasibility of this in-plane PRSEUS joint concept to terminate the rod-stiffened stringers. The presented design only demonstrates feasibility, therefore, some areas of refinement are presented that would lead to a more optimum and realistic design.

Integrated thermal disturbance analysis of optical system of astronomical telescope

NASA Astrophysics Data System (ADS)

Yang, Dehua; Jiang, Zibo; Li, Xinnan

2008-07-01

During operation, astronomical telescope will undergo thermal disturbance, especially more serious in solar telescope, which may cause degradation of image quality. As drives careful thermal load investigation and measure applied to assess its effect on final image quality during design phase. Integrated modeling analysis is boosting the process to find comprehensive optimum design scheme by software simulation. In this paper, we focus on the Finite Element Analysis (FEA) software-ANSYS-for thermal disturbance analysis and the optical design software-ZEMAX-for optical system design. The integrated model based on ANSYS and ZEMAX is briefed in the first from an overview of point. Afterwards, we discuss the establishment of thermal model. Complete power series polynomial with spatial coordinates is introduced to present temperature field analytically. We also borrow linear interpolation technique derived from shape function in finite element theory to interface the thermal model and structural model and further to apply the temperatures onto structural model nodes. Thereby, the thermal loads are transferred with as high fidelity as possible. Data interface and communication between the two softwares are discussed mainly on mirror surfaces and hence on the optical figure representation and transformation. We compare and comment the two different methods, Zernike polynomials and power series expansion, for representing and transforming deformed optical surface to ZEMAX. Additionally, these methods applied to surface with non-circular aperture are discussed. At the end, an optical telescope with parabolic primary mirror of 900 mm in diameter is analyzed to illustrate the above discussion. Finite Element Model with most interested parts of the telescope is generated in ANSYS with necessary structural simplification and equivalence. Thermal analysis is performed and the resulted positions and figures of the optics are to be retrieved and transferred to ZEMAX, and thus final image quality is evaluated with thermal disturbance.

Evolutionary analysis and lateral gene transfer of two-component regulatory systems associated with heavy-metal tolerance in bacteria.

PubMed

Bouzat, Juan L; Hoostal, Matthew J

2013-05-01

Microorganisms have adapted intricate signal transduction mechanisms to coordinate tolerance to toxic levels of metals, including two-component regulatory systems (TCRS). In particular, both cop and czc operons are regulated by TCRS; the cop operon plays a key role in bacterial tolerance to copper, whereas the czc operon is involved in the efflux of cadmium, zinc, and cobalt from the cell. Although the molecular physiology of heavy metal tolerance genes has been extensively studied, their evolutionary relationships are not well-understood. Phylogenetic relationships among heavy-metal efflux proteins and their corresponding two-component regulatory proteins revealed orthologous and paralogous relationships from species divergences and ancient gene duplications. The presence of heavy metal tolerance genes on bacterial plasmids suggests these genes may be prone to spread through horizontal gene transfer. Phylogenetic inferences revealed nine potential examples of lateral gene transfer associated with metal efflux proteins and two examples for regulatory proteins. Notably, four of the examples suggest lateral transfer across major evolutionary domains. In most cases, differences in GC content in metal tolerance genes and their corresponding host genomes confirmed lateral gene transfer events. Three-dimensional protein structures predicted for the response regulators encoded by cop and czc operons showed a high degree of structural similarity with other known proteins involved in TCRS signal transduction, which suggests common evolutionary origins of functional phenotypes and similar mechanisms of action for these response regulators.

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

PubMed Central

Ramana, CV; Becker, U; Shutthanandan, V; Julien, CM

2008-01-01

Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia. The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA). Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400°C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant increase in size associated with a decrease in density with further annealing. PMID:18534025

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

PubMed

Ramana, C V; Becker, U; Shutthanandan, V; Julien, C M

2008-06-05

Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia.The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA).Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400 degrees C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant increase in size associated with a decrease in density with further annealing.

Substrate-bound Crystal Structures Reveal Features Unique to Mycobacterium tuberculosis N-Acetyl-glucosamine 1-Phosphate Uridyltransferase and a Catalytic Mechanism for Acetyl Transfer

PubMed Central

Jagtap, Pravin Kumar Ankush; Soni, Vijay; Vithani, Neha; Jhingan, Gagan Deep; Bais, Vaibhav Singh; Nandicoori, Vinay Kumar; Prakash, Balaji

2012-01-01

N-Acetyl-glucosamine-1-phosphate uridyltransferase (GlmU), a bifunctional enzyme involved in bacterial cell wall synthesis is exclusive to prokaryotes. GlmU, now recognized as a promising target to develop new antibacterial drugs, catalyzes two key reactions: acetyl transfer and uridyl transfer at two independent domains. Hitherto, we identified GlmU from Mycobacterium tuberculosis (GlmUMtb) to be unique in possessing a 30-residue extension at the C terminus. Here, we present the crystal structures of GlmUMtb in complex with substrates/products bound at the acetyltransferase active site. Analysis of these and mutational data, allow us to infer a catalytic mechanism operative in GlmUMtb. In this SN2 reaction, His-374 and Asn-397 act as catalytic residues by enhancing the nucleophilicity of the attacking amino group of glucosamine 1-phosphate. Ser-416 and Trp-460 provide important interactions for substrate binding. A short helix at the C-terminal extension uniquely found in mycobacterial GlmU provides the highly conserved Trp-460 for substrate binding. Importantly, the structures reveal an uncommon mode of acetyl-CoA binding in GlmUMtb; we term this the U conformation, which is distinct from the L conformation seen in the available non-mycobacterial GlmU structures. Residues, likely determining U/L conformation, were identified, and their importance was evaluated. In addition, we identified that the primary site for PknB-mediated phosphorylation is Thr-418, near the acetyltransferase active site. Down-regulation of acetyltransferase activity upon Thr-418 phosphorylation is rationalized by the structures presented here. Overall, this work provides an insight into substrate recognition, catalytic mechanism for acetyl transfer, and features unique to GlmUMtb, which may be exploited for the development of inhibitors specific to GlmU. PMID:22969087

Core-shell SrTiO3/graphene structure by chemical vapor deposition for enhanced photocatalytic performance

NASA Astrophysics Data System (ADS)

He, Chenye; Bu, Xiuming; Yang, Siwei; He, Peng; Ding, Guqiao; Xie, Xiaoming

2018-04-01

Direct growth of high quality graphene on the surface of SrTiO3 (STO) was realized through chemical vapor deposition (CVD), to construct few-layer 'graphene shell' on every STO nanoparticle. The STO/graphene composite shows significantly enhanced UV light photocatalytic activity compared with the STO/rGO reference. Mechanism analysis confirms the role of special core-shell structure and chemical bond (Tisbnd C) for rapid interfacial electron transfer and effective electron-hole separation.

Computer aided design environment for the analysis and design of multi-body flexible structures

NASA Technical Reports Server (NTRS)

Ramakrishnan, Jayant V.; Singh, Ramen P.

1989-01-01

A computer aided design environment consisting of the programs NASTRAN, TREETOPS and MATLAB is presented in this paper. With links for data transfer between these programs, the integrated design of multi-body flexible structures is significantly enhanced. The CAD environment is used to model the Space Shuttle/Pinhole Occulater Facility. Then a controller is designed and evaluated in the nonlinear time history sense. Recent enhancements and ongoing research to add more capabilities are also described.

SAM-based Cell Transfer to Photopatterned Hydrogels for Microengineering Vascular-Like Structures

PubMed Central

Sadr, Nasser; Zhu, Mojun; Osaki, Tatsuya; Kakegawa, Takahiro; Yang, Yunzhi; Moretti, Matteo; Fukuda, Junji; Khademhosseini, Ali

2011-01-01

A major challenge in tissue engineering is to reproduce the native 3D microvascular architecture fundamental for in vivo functions. Current approaches still lack a network of perfusable vessels with native 3D structural organization. Here we present a new method combining self-assembled monolayer (SAM)-based cell transfer and gelatin methacrylate hydrogel photopatterning techniques for microengineering vascular structures. Human umbilical vein cell (HUVEC) transfer from oligopeptide SAM-coated surfaces to the hydrogel revealed two SAM desorption mechanisms: photoinduced and electrochemically triggered. The former, occurs concomitantly to hydrogel photocrosslinking, and resulted in efficient (>97%) monolayer transfer. The latter, prompted by additional potential application, preserved cell morphology and maintained high transfer efficiency of VE-cadherin positive monolayers over longer culture periods. This approach was also applied to transfer HUVECs to 3D geometrically defined vascular-like structures in hydrogels, which were then maintained in perfusion culture for 15 days. As a step toward more complex constructs, a cell-laden hydrogel layer was photopatterned around the endothelialized channel to mimic the vascular smooth muscle structure of distal arterioles. This study shows that the coupling of the SAM-based cell transfer and hydrogel photocrosslinking could potentially open up new avenues in engineering more complex, vascularized tissue constructs for regenerative medicine and tissue engineering applications. PMID:21802723

Transition structures and timing of transfer from paediatric to adult-based care after kidney transplantation in Germany: a qualitative study.

PubMed

Prüfe, Jenny; Dierks, Marie-Luise; Bethe, Dirk; Oldhafer, Martina; Müther, Silvia; Thumfart, Julia; Feldkötter, Markus; Büscher, Anja; Sauerstein, Katja; Hansen, Matthias; Pohl, Martin; Drube, Jens; Thiel, Florian; Rieger, Susanne; John, Ulrike; Taylan, Christina; Dittrich, Katalin; Hollenbach, Sabine; Klaus, Günter; Fehrenbach, Henry; Kranz, Birgitta; Montoya, Carmen; Lange-Sperandio, Bärbel; Ruckenbrod, Bettina; Billing, Heiko; Staude, Hagen; Brunkhorst, Reinhard; Rusai, Krisztina; Pape, Lars; Kreuzer, Martin

2017-06-12

It is known that transition, as a shift of care, marks a vulnerable phase in the adolescents' lives with an increased risk for non-adherence and allograft failure. Still, the transition process of adolescents and young adults living with a kidney transplant in Germany is not well defined. The present research aims to assess transition-relevant structures for this group of young people. Special attention is paid to the timing of the process. In an observational study, we visited 21 departments of paediatric nephrology in Germany. Participants were doctors (n=19), nurses (n=14) and psychosocial staff (n=16) who were responsible for transition in the relevant centres. Structural elements were surveyed using a short questionnaire. The experiential viewpoint was collected by interviews which were transcribedverbatim before thematic analysis was performed. This study highlights that professionals working within paediatric nephrology in Germany are well aware of the importance of successful transition. Key elements of transitional care are well understood and mutually agreed on. Nonetheless, implementation within daily routine seems challenging, and the absence of written, structured procedures may hamper successful transition. While professionals aim for an individual timing of transfer based on medical, social, emotional and structural aspects, rigid regulations on transfer age as given by the relevant health authorities add on to the challenge. ISRCTN Registry no 22988897; results (phase I) and pre-results (phase II). © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Implicit transfer of reversed temporal structure in visuomotor sequence learning.

PubMed

Tanaka, Kanji; Watanabe, Katsumi

2014-04-01

Some spatio-temporal structures are easier to transfer implicitly in sequential learning. In this study, we investigated whether the consistent reversal of triads of learned components would support the implicit transfer of their temporal structure in visuomotor sequence learning. A triad comprised three sequential button presses ([1][2][3]) and seven consecutive triads comprised a sequence. Participants learned sequences by trial and error, until they could complete it 20 times without error. Then, they learned another sequence, in which each triad was reversed ([3][2][1]), partially reversed ([2][1][3]), or switched so as not to overlap with the other conditions ([2][3][1] or [3][1][2]). Even when the participants did not notice the alternation rule, the consistent reversal of the temporal structure of each triad led to better implicit transfer; this was confirmed in a subsequent experiment. These results suggest that the implicit transfer of the temporal structure of a learned sequence can be influenced by both the structure and consistency of the change. Copyright © 2013 Cognitive Science Society, Inc.

Reducing injection loss in drill strings

DOEpatents

Drumheller, Douglas S.

2004-09-14

A system and method for transferring wave energy into or out of a periodic structure having a characteristic wave impedance profile at a prime frequency, the characteristic wave impedance profile comprising a real portion and an imaginary portion, comprising: locating one or more energy transfer elements each having a wave impedance at the prime frequency approximately equal to the real portion of the characteristic wave impedance at one or more points on the periodic structure with the imaginary portion approximately equaling zero; and employing the one or more energy transfer elements to transfer wave energy into or out of the periodic structure. The energy transfer may be repeaters. Quarter-wave transformers can be provided at one or more points on the periodic structure with the imaginary portion approximately equaling zero to transmit waves across one or more discontinuities. A terminator can be employed for cancellation of waves. The invention substantially eliminates reflections of the wave energy at the prime frequency by joints between sections of the periodic structure.

Probing membrane protein structure using water polarization transfer solid-state NMR.

PubMed

Williams, Jonathan K; Hong, Mei

2014-10-01

Water plays an essential role in the structure and function of proteins, lipid membranes and other biological macromolecules. Solid-state NMR heteronuclear-detected (1)H polarization transfer from water to biomolecules is a versatile approach for studying water-protein, water-membrane, and water-carbohydrate interactions in biology. We review radiofrequency pulse sequences for measuring water polarization transfer to biomolecules, the mechanisms of polarization transfer, and the application of this method to various biological systems. Three polarization transfer mechanisms, chemical exchange, spin diffusion and NOE, manifest themselves at different temperatures, magic-angle-spinning frequencies, and pulse irradiations. Chemical exchange is ubiquitous in all systems examined so far, and spin diffusion plays the key role in polarization transfer within the macromolecule. Tightly bound water molecules with long residence times are rare in proteins at ambient temperature. The water polarization-transfer technique has been used to study the hydration of microcrystalline proteins, lipid membranes, and plant cell wall polysaccharides, and to derive atomic-resolution details of the kinetics and mechanism of ion conduction in channels and pumps. Using this approach, we have measured the water polarization transfer to the transmembrane domain of the influenza M2 protein to obtain information on the structure of this tetrameric proton channel. At short mixing times, the polarization transfer rates are site-specific and depend on the pH, labile protons, sidechain conformation, as well as the radial position of the residues in this four-helix bundle. Despite the multiple dependences, the initial transfer rates reflect the periodic nature of the residue positions from the water-filled pore, thus this technique provides a way of gleaning secondary structure information, helix tilt angle, and the oligomeric structure of membrane proteins. Copyright © 2014 Elsevier Inc. All rights reserved.

Interaction transfer of silicon atoms forming Co silicide for Co/√(3)×√(3)R30°-Ag/Si(111) and related magnetic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Cheng-Hsun-Tony; Fu, Tsu-Yi; Tsay, Jyh-Shen, E-mail: jstsay@phy.ntnu.edu.tw

Combined scanning tunneling microscopy, Auger electron spectroscopy, and surface magneto-optic Kerr effect studies were employed to study the microscopic structures and magnetic properties for ultrathin Co/√(3)×√(3)R30°-Ag/Si(111). As the annealing temperature increases, the upward diffusion of Si atoms and formation of Co silicides occurs at temperature above 400 K. Below 600 K, the √(3)×√(3)R30°-Ag/Si(111) surface structure persists. We propose an interaction transferring mechanism of Si atoms across the √(3)×√(3)R30°-Ag layer. The upward transferred Si atoms react with Co atoms to form Co silicide. The step height across the edge of the island, a separation of 0.75 nm from the analysis of the 2 × 2 structure,more » and the calculations of the normalized Auger signal serve as strong evidences for the formation of CoSi{sub 2} at the interface. The interaction transferring mechanism for Si atoms enhances the possibility of interactions between Co and Si atoms. The smoothness of the surface is advantage for that the easy axis of magnetization for Co/√(3)×√(3)R30°-Ag/Si(111) is in the surface plane. This provides a possible way of growing flat magnetic layers on silicon substrate with controllable silicide formation and shows potential applications in spintronics devices.« less

Simulation of unsteady state performance of a secondary air system by the 1D-3D-Structure coupled method

NASA Astrophysics Data System (ADS)

Wu, Hong; Li, Peng; Li, Yulong

2016-02-01

This paper describes the calculation method for unsteady state conditions in the secondary air systems in gas turbines. The 1D-3D-Structure coupled method was applied. A 1D code was used to model the standard components that have typical geometric characteristics. Their flow and heat transfer were described by empirical correlations based on experimental data or CFD calculations. A 3D code was used to model the non-standard components that cannot be described by typical geometric languages, while a finite element analysis was carried out to compute the structural deformation and heat conduction at certain important positions. These codes were coupled through their interfaces. Thus, the changes in heat transfer and structure and their interactions caused by exterior disturbances can be reflected. The results of the coupling method in an unsteady state showed an apparent deviation from the existing data, while the results in the steady state were highly consistent with the existing data. The difference in the results in the unsteady state was caused primarily by structural deformation that cannot be predicted by the 1D method. Thus, in order to obtain the unsteady state performance of a secondary air system more accurately and efficiently, the 1D-3D-Structure coupled method should be used.

Airbags to Martian Landers: Analyses at Sandia National Laboratories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gwinn, K.W.

1994-03-01

A new direction for the national laboratories is to assist US business with research and development, primarily through cooperative research and development agreements (CRADAs). Technology transfer to the private sector has been very successful as over 200 CRADAs are in place at Sandia. Because of these cooperative efforts, technology has evolved into some new areas not commonly associated with the former mission of the national laboratories. An example of this is the analysis of fabric structures. Explicit analyses and expertise in constructing parachutes led to the development of a next generation automobile airbag; which led to the construction, testing, andmore » analysis of the Jet Propulsion Laboratory Mars Environmental Survey Lander; and finally led to the development of CAD based custom garment designs using 3D scanned images of the human body. The structural analysis of these fabric structures is described as well as a more traditional example Sandia with the test/analysis correlation of the impact of a weapon container.« less

Preliminary scramjet design for hypersonic airbreathing missile application

NASA Technical Reports Server (NTRS)

Carlson, C. H.

1983-01-01

A conceptual design study of a scramjet engine was conducted for a hypersonic surface to air missile (HYSAM). The definition of the engine was based upon the requirements of accelerating the HYSAM from Mach 4 at 20,000 feet to Mach 6 at 100,000 feet and the cruise conditions at Mach 6. The resulting external and internal environmental conditions were used by various engineering disciplines performing design, stress and heat transfer analysis. A detailed structural analysis was conducted along with an indepth thermal analysis. Structurally all the components within the system exhibit positive margins of safety. A feasible concept was defined which uses state-of-the-art materials and existing TMC technology. The engine basically consists of a three dimensional carbon/carbon combustor/nozzle secured to an FS-85 columbium inlet. The carbon/carbon liner is sheathed with carbon felt insulation to thermally protect the FS-85 structure and skin. The thermal analysis of the engine indicates that a thermally viable configuration exists.

Solid electrolyte structure

DOEpatents

Fraioli, Anthony V.

1984-01-01

A solid electrolyte structure for fuel cells and other electrochemical devices providing oxygen ion transfer by a multiplicity of exposed internal surfaces made of a composition containing an oxide of a multivalent transition metal and forming small pore-like passages sized to permit oxygen ion transfer while limiting the transfer of oxygen gas.

Three-Dimensional Unsteady Simulation of a Modern High Pressure Turbine Stage Using Phase Lag Periodicity: Analysis of Flow and Heat Transfer

NASA Technical Reports Server (NTRS)

Shyam, Vikram; Ameri, Ali; Luk, Daniel F.; Chen, Jen-Ping

2010-01-01

Unsteady three-dimensional RANS simulations have been performed on a highly loaded transonic turbine stage and results are compared to steady calculations as well as experiment. A low Reynolds number k- turbulence model is employed to provide closure for the RANS system. A phase-lag boundary condition is used in the periodic direction. This allows the unsteady simulation to be performed by using only one blade from each of the two rows. The objective of this paper is to study the effect of unsteadiness on rotor heat transfer and to glean any insight into unsteady flow physics. The role of the stator wake passing on the pressure distribution at the leading edge is also studied. The simulated heat transfer and pressure results agreed favorably with experiment. The time-averaged heat transfer predicted by the unsteady simulation is higher than the heat transfer predicted by the steady simulation everywhere except at the leading edge. The shock structure formed due to stator-rotor interaction was analyzed. Heat transfer and pressure at the hub and casing were also studied. Thermal segregation was observed that leads to the heat transfer patterns predicted by steady and unsteady simulations to be different.

Self-perceived long-term transfer of learning after postpartum hemorrhage simulation training.

PubMed

de Melo, Brena Carvalho Pinto; Rodrigues Falbo, Ana; Sorensen, Jette Led; van Merriënboer, Jeroen J G; van der Vleuten, Cees

2018-05-01

To explore long-term transfer (application of acquired knowledge and skills on the job) after postpartum hemorrhage simulation training based on either instructional design (ID) principles or conventional best practice. In this qualitative study, semi-structured interviews with obstetrics and gynecology healthcare practitioners were conducted between August 7 and September 26, 2015, in Recife, Brazil. The participants were randomly selected from each of two postpartum hemorrhage simulations attended 2 years earlier (one ID and one conventional best practice). Thematic analysis was used to explore (1) residents' perceptions of long-term transfer of learning, (2) ID elements influencing the perceived long-term transfer, and (3) differences in the participants' perceptions according to the type of simulation attended. There were 12 interview participants. After either simulation format, residents perceived long-term transfer effects. Training design factors influencing transfer were, in their opinion, related to trainees' characteristics, simulation design, and workplace environment. Trainees who participated in the ID-based simulation perceived better communication skills and better overall situational awareness: "I didn't do that before." All residents perceived long-term transfer after simulation training for postpartum hemorrhage. Those who attended the ID format additionally perceived improvements in communication skills and situational awareness, which are fundamental factors in the management of postpartum hemorrhage. © 2018 International Federation of Gynecology and Obstetrics.

Horizontal gene transfer in an acid mine drainage microbial community.

PubMed

Guo, Jiangtao; Wang, Qi; Wang, Xiaoqi; Wang, Fumeng; Yao, Jinxian; Zhu, Huaiqiu

2015-07-04

Horizontal gene transfer (HGT) has been widely identified in complete prokaryotic genomes. However, the roles of HGT among members of a microbial community and in evolution remain largely unknown. With the emergence of metagenomics, it is nontrivial to investigate such horizontal flow of genetic materials among members in a microbial community from the natural environment. Because of the lack of suitable methods for metagenomics gene transfer detection, microorganisms from a low-complexity community acid mine drainage (AMD) with near-complete genomes were used to detect possible gene transfer events and suggest the biological significance. Using the annotation of coding regions by the current tools, a phylogenetic approach, and an approximately unbiased test, we found that HGTs in AMD organisms are not rare, and we predicted 119 putative transferred genes. Among them, 14 HGT events were determined to be transfer events among the AMD members. Further analysis of the 14 transferred genes revealed that the HGT events affected the functional evolution of archaea or bacteria in AMD, and it probably shaped the community structure, such as the dominance of G-plasma in archaea in AMD through HGT. Our study provides a novel insight into HGT events among microorganisms in natural communities. The interconnectedness between HGT and community evolution is essential to understand microbial community formation and development.

Prospective of employing high porosity open-cell metal foams in passive cryogenic radiators for space applications

NASA Astrophysics Data System (ADS)

Tisha, Dixit; Indranil, Ghosh

2017-02-01

Passive cryogenic radiators work on the principle of dissipating heat to the outer space purely by radiation. High porosity open-cell metal foams are a relatively new class of extended surfaces. These possess the advantages of high surface area density and low weight, characteristics which the space industry looks for. In case of radiative heat transfer, the porous nature of metal foams permits a deeper penetration of the incident radiation. Consequently, the heat transfer area participating in radiative heat exchange increases thereby enhancing the heat transfer rate. However, effective heat conduction in between the foam struts reduces as a result of the void spaces. These two conflicting phenomenon for radiation heat transfer in metal foams have been studied in this work. Similar to the foam conduction-convection heat transfer analysis, a conduction-radiation heat transfer model has been developed for metal foams in analogy with the conventional solid fin theory. Metal foams have been theoretically represented as simple cubic structures. A comparison of the radiative heat transfer through metal foams and solid fins attached to a surface having constant temperature has been presented. Effect of changes in foam characteristic properties such as porosity and pore density have also been studied.

An optimized surface plasmon photovoltaic structure using energy transfer between discrete nano-particles.

PubMed

Lin, Albert; Fu, Sze-Ming; Chung, Yen-Kai; Lai, Shih-Yun; Tseng, Chi-Wei

2013-01-14

Surface plasmon enhancement has been proposed as a way to achieve higher absorption for thin-film photovoltaics, where surface plasmon polariton(SPP) and localized surface plasmon (LSP) are shown to provide dense near field and far field light scattering. Here it is shown that controlled far-field light scattering can be achieved using successive coupling between surface plasmonic (SP) nano-particles. Through genetic algorithm (GA) optimization, energy transfer between discrete nano-particles (ETDNP) is identified, which enhances solar cell efficiency. The optimized energy transfer structure acts like lumped-element transmission line and can properly alter the direction of photon flow. Increased in-plane component of wavevector is thus achieved and photon path length is extended. In addition, Wood-Rayleigh anomaly, at which transmission minimum occurs, is avoided through GA optimization. Optimized energy transfer structure provides 46.95% improvement over baseline planar cell. It achieves larger angular scattering capability compared to conventional surface plasmon polariton back reflector structure and index-guided structure due to SP energy transfer through mode coupling. Via SP mediated energy transfer, an alternative way to control the light flow inside thin-film is proposed, which can be more efficient than conventional index-guided mode using total internal reflection (TIR).

Turbine Engine Hot Section Technology (HOST)

NASA Technical Reports Server (NTRS)

1982-01-01

Research and plans concerning aircraft gas turbine engine hot section durability problems were discussed. Under the topics of structural analysis, fatigue and fracture, surface protective coatings, combustion, turbine heat transfer, and instrumentation specific points addressed were the thermal and fluid environment around liners, blades, and vanes, material coatings, constitutive behavior, stress-strain response, and life prediction methods for the three components.

Aerospace technology as a source of new ideas.

NASA Technical Reports Server (NTRS)

Hamilton, J. T.

1972-01-01

It is shown that technological products and processes resulting from aeronautical and space research and development can be a significant source of new product or product improvement ideas. The problems associated with technology transfer are discussed. As an example, the commercialization of NASTRAN, NASA's structural analysis computer program, is discussed. Some other current application projects are also outlined.

Theoretical and experimental evaluation of a new organic proton transfer crystal aminoguanidinium p-nitrobenzoate monohydrate for optical limiting applications

NASA Astrophysics Data System (ADS)

Shanmugavadivu, T.; Senthilkumar, K.; Dhandapani, M.; Muthuraja, P.; Balachandar, S.; Sethu Raman, M.

2017-12-01

Aminoguanidinium p-nitrobenzoate monohydrate (AGPNB), an organic third order nonlinear crystal, was successfully grown by the slow evaporation technique. Single crystal XRD analysis reveals that the grown crystal belongs to monoclinic system with P21/n space group. FT-IR, 1H and 13C NMR spectroscopic studies were carried out to confirm the proton transfer. Optical and thermal suitability were assessed by UV-NIR and TG-DTA studies. Hirshfeld surface analysis predicts that the O⋯H/H⋯O interactions dominated over the crystal structure. Third order nonlinearity was studied by Z-scan analysis and it is found that AGPNB can be used as a reverse satuarble absorption (RSA) based optical limiter at 632.8 nm. Computational studies, such as geometry optimization, Natural bond orbital (NBO) analysis, Mulliken population analysis and Molecular electrostatic potential (MEP) were performed at B3LYP/6-311G(d,p) level of theory. The calculated first order hyperpolarizability of AGPNB is found to be 35 times that of urea.

Computer codes developed and under development at Lewis

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1992-01-01

The objective of this summary is to provide a brief description of: (1) codes developed or under development at LeRC; and (2) the development status of IPACS with some typical early results. The computer codes that have been developed and/or are under development at LeRC are listed in the accompanying charts. This list includes: (1) the code acronym; (2) select physics descriptors; (3) current enhancements; and (4) present (9/91) code status with respect to its availability and documentation. The computer codes list is grouped by related functions such as: (1) composite mechanics; (2) composite structures; (3) integrated and 3-D analysis; (4) structural tailoring; and (5) probabilistic structural analysis. These codes provide a broad computational simulation infrastructure (technology base-readiness) for assessing the structural integrity/durability/reliability of propulsion systems. These codes serve two other very important functions: they provide an effective means of technology transfer; and they constitute a depository of corporate memory.

A hybrid algorithm for selecting head-related transfer function based on similarity of anthropometric structures

NASA Astrophysics Data System (ADS)

Zeng, Xiang-Yang; Wang, Shu-Guang; Gao, Li-Ping

2010-09-01

As the basic data for virtual auditory technology, head-related transfer function (HRTF) has many applications in the areas of room acoustic modeling, spatial hearing and multimedia. How to individualize HRTF fast and effectively has become an opening problem at present. Based on the similarity and relativity of anthropometric structures, a hybrid HRTF customization algorithm, which has combined the method of principal component analysis (PCA), multiple linear regression (MLR) and database matching (DM), has been presented in this paper. The HRTFs selected by both the best match and the worst match have been applied into obtaining binaurally auralized sounds, which are then used for subjective listening experiments and the results are compared. For the area in the horizontal plane, the localization results have shown that the selection of HRTFs can enhance the localization accuracy and can also abate the problem of front-back confusion.

Genetic analysis of a bacterial genetic exchange element: The gene transfer agent of Rhodobacter capsulatus

PubMed Central

Lang, Andrew S.; Beatty, J. T.

2000-01-01

An unusual system of genetic exchange exists in the purple nonsulfur bacterium Rhodobacter capsulatus. DNA transmission is mediated by a small bacteriophage-like particle called the gene transfer agent (GTA) that transfers random 4.5-kb segments of the producing cell's genome to recipient cells, where allelic replacement occurs. This paper presents the results of gene cloning, analysis, and mutagenesis experiments that show that GTA resembles a defective prophage related to bacteriophages from diverse genera of bacteria, which has been adopted by R. capsulatus for genetic exchange. A pair of cellular proteins, CckA and CtrA, appear to constitute part of a sensor kinase/response regulator signaling pathway that is required for expression of GTA structural genes. This signaling pathway controls growth-phase-dependent regulation of GTA gene messages, yielding maximal gene expression in the stationary phase. We suggest that GTA is an ancient prophage remnant that has evolved in concert with the bacterial genome, resulting in a genetic exchange process controlled by the bacterial cell. PMID:10639170

Electronic and magnetic properties of transition metal doped graphyne

NASA Astrophysics Data System (ADS)

Gangan, Abhijeet Sadashiv; Yadav, Asha S.; Chakraborty, Brahmananda; Ramaniah, Lavanya M.

2017-05-01

We have theoretically investigated the interaction of few 3d (V,Mn) and 4d (Y,Zr) transition metals with the γ-graphyne structure using the spin-polarized density functional theory for its potentials application in Hydrogen storage, spintronics and nano-electronics. By doping different TMs we have observed that the system can be either metallic(Y), semi-conducting or half metallic. The system for Y and Zr doped graphyne becomes non-magnetic while V and Mn doped graphyne have a magnetic moments of l μB and 3 μB respectively From bader charge analysis it is seen that there is a charge transfer from the TM atom to the graphyne. Zr and Y have a net charge transfer of 2.15e and 1.73e respectively. Charge density analysis also shows the polarization on the carbon skeleton which becomes larger as the charge transfer for the TM atom increases. Thus we see Y and Zr are better candidates for hydrogen storage devices since they are non-magnetic and have less d electrons which is ideal for kubas-type interactions between hydrogen molecule and TM.

Polymorphism of CRISPR shows separated natural groupings of Shigella subtypes and evidence of horizontal transfer of CRISPR

PubMed Central

Yang, Chaojie; Li, Peng; Su, Wenli; Li, Hao; Liu, Hongbo; Yang, Guang; Xie, Jing; Yi, Shengjie; Wang, Jian; Cui, Xianyan; Wu, Zhihao; Wang, Ligui; Hao, Rongzhang; Jia, Leili; Qiu, Shaofu; Song, Hongbin

2015-01-01

Clustered, regularly interspaced, short palindromic repeats (CRISPR) act as an adaptive RNA-mediated immune mechanism in bacteria. They can also be used for identification and evolutionary studies based on polymorphisms within the CRISPR locus. We amplified and analyzed 6 CRISPR loci from 237 Shigella strains belonging to the 4 species groups, as well as 13 Escherichia coli strains. The CRISPR-associated (cas) gene sequence arrays of these strains were screened and compared. The CRISPR sequences from Shigella were conserved among subtypes, suggesting that CRISPR may represent a new identification tool for the detection and discrimination of Shigella species. Secondary structure analysis showed a different stem-loop structure at the terminal repeat, suggesting a distinct recognition mechanism in the formation of crRNA. In addition, the presence of “self-target” spacers and polymorphisms within CRISPR in Shigella indicated a selective pressure for inhibition of this system, which has the potential to damage “self DNA.” Homology analysis of spacers showed that CRISPR might be involved in the regulation of virulence transmission. Phylogenetic analysis based on CRISPR sequences from Shigella and E. coli indicated that although phenotypic properties maintain convergent evolution, the 4 Shigella species do not represent natural groupings. Surprisingly, comparative analysis of Shigella repeats with other species provided new evidence for CRISPR horizontal transfer. Our results suggested that CRISPR analysis is applicable for the detection of Shigella species and for investigation of evolutionary relationships. PMID:26327282

Polymorphism of CRISPR shows separated natural groupings of Shigella subtypes and evidence of horizontal transfer of CRISPR.

PubMed

Yang, Chaojie; Li, Peng; Su, Wenli; Li, Hao; Liu, Hongbo; Yang, Guang; Xie, Jing; Yi, Shengjie; Wang, Jian; Cui, Xianyan; Wu, Zhihao; Wang, Ligui; Hao, Rongzhang; Jia, Leili; Qiu, Shaofu; Song, Hongbin

2015-01-01

Clustered, regularly interspaced, short palindromic repeats (CRISPR) act as an adaptive RNA-mediated immune mechanism in bacteria. They can also be used for identification and evolutionary studies based on polymorphisms within the CRISPR locus. We amplified and analyzed 6 CRISPR loci from 237 Shigella strains belonging to the 4 species groups, as well as 13 Escherichia coli strains. The CRISPR-associated (cas) gene sequence arrays of these strains were screened and compared. The CRISPR sequences from Shigella were conserved among subtypes, suggesting that CRISPR may represent a new identification tool for the detection and discrimination of Shigella species. Secondary structure analysis showed a different stem-loop structure at the terminal repeat, suggesting a distinct recognition mechanism in the formation of crRNA. In addition, the presence of "self-target" spacers and polymorphisms within CRISPR in Shigella indicated a selective pressure for inhibition of this system, which has the potential to damage "self DNA." Homology analysis of spacers showed that CRISPR might be involved in the regulation of virulence transmission. Phylogenetic analysis based on CRISPR sequences from Shigella and E. coli indicated that although phenotypic properties maintain convergent evolution, the 4 Shigella species do not represent natural groupings. Surprisingly, comparative analysis of Shigella repeats with other species provided new evidence for CRISPR horizontal transfer. Our results suggested that CRISPR analysis is applicable for the detection of Shigella species and for investigation of evolutionary relationships.

Gunshot energy transfer profile in ballistic gelatine, determined with computed tomography using the total crack length method.

PubMed

Bolliger, Stephan A; Thali, Michael J; Bolliger, Michael J; Kneubuehl, Beat P

2010-11-01

By measuring the total crack lengths (TCL) along a gunshot wound channel simulated in ordnance gelatine, one can calculate the energy transferred by a projectile to the surrounding tissue along its course. Visual quantitative TCL analysis of cut slices in ordnance gelatine blocks is unreliable due to the poor visibility of cracks and the likely introduction of secondary cracks resulting from slicing. Furthermore, gelatine TCL patterns are difficult to preserve because of the deterioration of the internal structures of gelatine with age and the tendency of gelatine to decompose. By contrast, using computed tomography (CT) software for TCL analysis in gelatine, cracks on 1-cm thick slices can be easily detected, measured and preserved. In this, experiment CT TCL analyses were applied to gunshots fired into gelatine blocks by three different ammunition types (9-mm Luger full metal jacket, .44 Remington Magnum semi-jacketed hollow point and 7.62 × 51 RWS Cone-Point). The resulting TCL curves reflected the three projectiles' capacity to transfer energy to the surrounding tissue very accurately and showed clearly the typical energy transfer differences. We believe that CT is a useful tool in evaluating gunshot wound profiles using the TCL method and is indeed superior to conventional methods applying physical slicing of the gelatine.

Serotonergic Psychedelics Temporarily Modify Information Transfer in Humans

PubMed Central

Alonso, Joan Francesc; Romero, Sergio; Mañanas, Miquel Àngel

2015-01-01

Background: Psychedelics induce intense modifications in the sensorium, the sense of “self,” and the experience of reality. Despite advances in our understanding of the molecular and cellular level mechanisms of these drugs, knowledge of their actions on global brain dynamics is still incomplete. Recent imaging studies have found changes in functional coupling between frontal and parietal brain structures, suggesting a modification in information flow between brain regions during acute effects. Methods: Here we assessed the psychedelic-induced changes in directionality of information flow during the acute effects of a psychedelic in humans. We measured modifications in connectivity of brain oscillations using transfer entropy, a nonlinear measure of directed functional connectivity based on information theory. Ten healthy male volunteers with prior experience with psychedelics participated in 2 experimental sessions. They received a placebo or a dose of ayahuasca, a psychedelic preparation containing the serotonergic 5-HT2A agonist N,N-dimethyltryptamine. Results: The analysis showed significant changes in the coupling of brain oscillations between anterior and posterior recording sites. Transfer entropy analysis showed that frontal sources decreased their influence over central, parietal, and occipital sites. Conversely, sources in posterior locations increased their influence over signals measured at anterior locations. Exploratory correlations found that anterior-to-posterior transfer entropy decreases were correlated with the intensity of subjective effects, while the imbalance between anterior-to-posterior and posterior-to-anterior transfer entropy correlated with the degree of incapacitation experienced. Conclusions: These results suggest that psychedelics induce a temporary disruption of neural hierarchies by reducing top-down control and increasing bottom-up information transfer in the human brain. PMID:25820842

NMR studies of double proton transfer in hydrogen bonded cyclic N,N'-diarylformamidine dimers: conformational control, kinetic HH/HD/DD isotope effects and tunneling.

PubMed

Lopez, Juan Miguel; Männle, Ferdinand; Wawer, Iwona; Buntkowsky, Gerd; Limbach, Hans-Heinrich

2007-08-28

Using dynamic NMR spectroscopy, the kinetics of the degenerate double proton transfer in cyclic dimers of polycrystalline (15)N,(15)N'-di-(4-bromophenyl)-formamidine (DBrFA) have been studied including the kinetic HH/HD/DD isotope effects in a wide temperature range. This transfer is controlled by intermolecular interactions, which in turn are controlled by the molecular conformation and hence the molecular structure. At low temperatures, rate constants were determined by line shape analysis of (15)N NMR spectra obtained using cross-polarization (CP) and magic angle spinning (MAS). At higher temperatures, in the microsecond time scale, rate constants and kinetic isotope effects were obtained by a combination of longitudinal (15)N and (2)H relaxation measurements. (15)N CPMAS line shape analysis was also employed to study the non-degenerate double proton transfer of polycrystalline (15)N,(15)N'-diphenyl-formamidine (DPFA). The kinetic results are in excellent agreement with the kinetics of DPFA and (15)N,(15)N'-di-(4-fluorophenyl)-formamidine (DFFA) studied previously for solutions in tetrahydrofuran. Two large HH/HD and HD/DD isotope effects are observed in the whole temperature range which indicates a concerted double proton transfer mechanism in the domain of the reaction energy surface. The Arrhenius curves are non-linear indicating a tunneling mechanism. Arrhenius curve simulations were performed using the Bell-Limbach tunneling model. The role of the phenyl group conformation and hydrogen bond compression on the barrier of the proton transfer is discussed.

Pathways of energy transfer in LHCII revealed by room-temperature 2D electronic spectroscopy.

PubMed

Wells, Kym L; Lambrev, Petar H; Zhang, Zhengyang; Garab, Gyözö; Tan, Howe-Siang

2014-06-21

We present here the first room-temperature 2D electronic spectroscopy study of energy transfer in the plant light-harvesting complex II, LHCII. Two-dimensional electronic spectroscopy has been used to study energy transfer dynamics in LHCII trimers from the chlorophyll b Qy band to the chlorophyll a Qy band. Observing cross-peak regions corresponding to couplings between different excitonic states reveals partially resolved fine structure at the exciton level that cannot be isolated by pump-probe or linear spectroscopy measurements alone. Global analysis of the data has been performed to identify the pathways and time constants of energy transfer. The measured waiting time (Tw) dependent 2D spectra are found to be composed of 2D decay-associated spectra with three timescales (0.3 ps, 2.3 ps and >20 ps). Direct and multistep cascading pathways from the high-energy chlorophyll b states to the lowest-energy chlorophyll a states have been resolved occurring on time scales of hundreds of femtoseconds to picoseconds.

Elucidating the design principles of photosynthetic electron-transfer proteins by site-directed spin labeling EPR spectroscopy.

PubMed

Ishara Silva, K; Jagannathan, Bharat; Golbeck, John H; Lakshmi, K V

2016-05-01

Site-directed spin labeling electron paramagnetic resonance (SDSL EPR) spectroscopy is a powerful tool to determine solvent accessibility, side-chain dynamics, and inter-spin distances at specific sites in biological macromolecules. This information provides important insights into the structure and dynamics of both natural and designed proteins and protein complexes. Here, we discuss the application of SDSL EPR spectroscopy in probing the charge-transfer cofactors in photosynthetic reaction centers (RC) such as photosystem I (PSI) and the bacterial reaction center (bRC). Photosynthetic RCs are large multi-subunit proteins (molecular weight≥300 kDa) that perform light-driven charge transfer reactions in photosynthesis. These reactions are carried out by cofactors that are paramagnetic in one of their oxidation states. This renders the RCs unsuitable for conventional nuclear magnetic resonance spectroscopy investigations. However, the presence of native paramagnetic centers and the ability to covalently attach site-directed spin labels in RCs makes them ideally suited for the application of SDSL EPR spectroscopy. The paramagnetic centers serve as probes of conformational changes, dynamics of subunit assembly, and the relative motion of cofactors and peptide subunits. In this review, we describe novel applications of SDSL EPR spectroscopy for elucidating the effects of local structure and dynamics on the electron-transfer cofactors of photosynthetic RCs. Because SDSL EPR Spectroscopy is uniquely suited to provide dynamic information on protein motion, it is a particularly useful method in the engineering and analysis of designed electron transfer proteins and protein networks. This article is part of a Special Issue entitled Biodesign for Bioenergetics--the design and engineering of electronic transfer cofactors, proteins and protein networks, edited by Ronald L. Koder and J.L. Ross Anderson. Copyright © 2016. Published by Elsevier B.V.

Quantitative Analysis of the Effective Functional Structure in Yeast Glycolysis

PubMed Central

De la Fuente, Ildefonso M.; Cortes, Jesus M.

2012-01-01

The understanding of the effective functionality that governs the enzymatic self-organized processes in cellular conditions is a crucial topic in the post-genomic era. In recent studies, Transfer Entropy has been proposed as a rigorous, robust and self-consistent method for the causal quantification of the functional information flow among nonlinear processes. Here, in order to quantify the functional connectivity for the glycolytic enzymes in dissipative conditions we have analyzed different catalytic patterns using the technique of Transfer Entropy. The data were obtained by means of a yeast glycolytic model formed by three delay differential equations where the enzymatic rate equations of the irreversible stages have been explicitly considered. These enzymatic activity functions were previously modeled and tested experimentally by other different groups. The results show the emergence of a new kind of dynamical functional structure, characterized by changing connectivity flows and a metabolic invariant that constrains the activity of the irreversible enzymes. In addition to the classical topological structure characterized by the specific location of enzymes, substrates, products and feedback-regulatory metabolites, an effective functional structure emerges in the modeled glycolytic system, which is dynamical and characterized by notable variations of the functional interactions. The dynamical structure also exhibits a metabolic invariant which constrains the functional attributes of the enzymes. Finally, in accordance with the classical biochemical studies, our numerical analysis reveals in a quantitative manner that the enzyme phosphofructokinase is the key-core of the metabolic system, behaving for all conditions as the main source of the effective causal flows in yeast glycolysis. PMID:22393350

Analysis of phosphoinositide 3-kinase inhibitors by bottom-up electron-transfer dissociation hydrogen/deuterium exchange mass spectrometry

PubMed Central

Masson, Glenn R.; Maslen, Sarah L.

2017-01-01

Until recently, one of the major limitations of hydrogen/deuterium exchange mass spectrometry (HDX-MS) was the peptide-level resolution afforded by proteolytic digestion. This limitation can be selectively overcome through the use of electron-transfer dissociation to fragment peptides in a manner that allows the retention of the deuterium signal to produce hydrogen/deuterium exchange tandem mass spectrometry (HDX-MS/MS). Here, we describe the application of HDX-MS/MS to structurally screen inhibitors of the oncogene phosphoinositide 3-kinase catalytic p110α subunit. HDX-MS/MS analysis is able to discern a conserved mechanism of inhibition common to a range of inhibitors. Owing to the relatively minor amounts of protein required, this technique may be utilised in pharmaceutical development for screening potential therapeutics. PMID:28381646

Crystalline TiO 2 grafted with poly(2-methacryloyloxyethyl phosphorylcholine) via surface-initiated atom-transfer radical polymerization

NASA Astrophysics Data System (ADS)

Zhao, Yuancong; Tu, Qiufen; Wang, Jin; Huang, Qiongjian; Huang, Nan

2010-12-01

Crystalline TiO 2 films were prepared by unbalanced magnetron sputtering and the structure was confirmed by XRD. An organic layer of 11-hydroxyundecylphosphonic acid (HUPA) was prepared on the TiO 2 films by self-assembling, and the HUPA on TiO 2 films was confirmed by FTIR analysis. Simultaneously, hydroxyl groups were introduced in the phosphonic acid molecules to provide a functionality for further chemical modification. 2-Methacryloyloxyethyl phosphorylcholine (MPC), a biomimetic monomer, was chemically grafted on the HUPA surfaces at room temperature by surface-initiated atom-transfer radical polymerization. The surface characters of TiO 2 films modified by poly-MPC were confirmed by FTIR, XPS and SEM analysis. Platelet adhesion experiment revealed that poly-MPC modified surface was effective to inhibit platelet adhesion in vitro.

Enhanced two phase flow in heat transfer systems

DOEpatents

Tegrotenhuis, Ward E; Humble, Paul H; Lavender, Curt A; Caldwell, Dustin D

2013-12-03

A family of structures and designs for use in devices such as heat exchangers so as to allow for enhanced performance in heat exchangers smaller and lighter weight than other existing devices. These structures provide flow paths for liquid and vapor and are generally open. In some embodiments of the invention, these structures can also provide secondary heat transfer as well. In an evaporate heat exchanger, the inclusion of these structures and devices enhance the heat transfer coefficient of the evaporation phase change process with comparable or lower pressure drop.

Biomimetics: its practice and theory

PubMed Central

Vincent, Julian F.V; Bogatyreva, Olga A; Bogatyrev, Nikolaj R; Bowyer, Adrian; Pahl, Anja-Karina

2006-01-01

Biomimetics, a name coined by Otto Schmitt in the 1950s for the transfer of ideas and analogues from biology to technology, has produced some significant and successful devices and concepts in the past 50 years, but is still empirical. We show that TRIZ, the Russian system of problem solving, can be adapted to illuminate and manipulate this process of transfer. Analysis using TRIZ shows that there is only 12% similarity between biology and technology in the principles which solutions to problems illustrate, and while technology solves problems largely by manipulating usage of energy, biology uses information and structure, two factors largely ignored by technology. PMID:16849244

Decoupling migration effects from income effects on reproduction in Central American migrant-sending households.

PubMed

Davis, Jason

2011-01-01

Contemporary data for three Central American countries (Costa Rica, Guatemala, and Nicaragua) surveyed by the Latin American Migration Project were analyzed to determine if migration length and remittance transfers had an influence on fertility. The analysis was structured to separate societal influences on fertility attributable to migration from the income effects associated with remittance transfers. At the couple level, the odds that a birth would occur were negatively associated with an increase in U.S. remittance receipts and an increase in a wife’s migration duration. However, no correlation was found between length of male migration and couple fertility.

ARTICLES: Microwave Assisted Synthesis of a New Triplet Iridium(III) Pyrazine Complex

NASA Astrophysics Data System (ADS)

Wu, Qiu-hua; Wang, Chuan-hong; Song, Xi-ming; Zhang, Guo-lin

2010-06-01

A new cyclometalated iridium(III) complex Ir(DPP)3 (DPP = 2,3-diphenylpyrazine) was prepared by reaction of DPP with iridium trichloride hydrate under microwave irradiation. The structure of the complex was confirmed by elemental analysis, 1H NMR, and mass spectroscopy. The UV-Vis absorption and photoluminescent properties of the complex were investigated. The complex shows strong 1MLCT (singlet metal to ligand charge-transfer) and 3MLCT (triplet metal to ligand charge-transfer) absorption at 382 and 504 nm, respectively. The complex also shows strong photoluminescence at 573 nm at room temperature. These results suggest the complex to be a promising phosphorescent material.

On the topology of flux transfer events

NASA Technical Reports Server (NTRS)

Hesse, Michael; Birn, Joachim; Schindler, Karl

1990-01-01

A topological analysis is made of a simple model magnetic field of a perturbation at the magnetopause that shares magnetic properties with flux transfer events. The aim is to clarify a number of topological aspects that arise in the case of fully three-dimensional magnetic fields. It is shown that a localized perturbation at the magnetopause can in principle open a closed magnetosphere by establishing magnetic connections across the magnetopause by the formation of a ropelike magnetic field structure. For this purpose a global topological model of a closed magnetosphere is considered as the unperturbed state. The topological substructure of the model flux rope is discussed in detail.

Radiative transfer to space through a precipitating cloud at multiple microwave frequencies. I - Model description. II - Results and analysis

NASA Technical Reports Server (NTRS)

Mugnai, Alberto; Smith, Eric A.

1988-01-01

The impact of time-dependent cloud microphysical structure on the transfer to space of passive microwave radiation is studied at several frequencies across the EHF and lower SHF portions of the microwave spectrum. The feasibility of using multichannel passive-microwave retrieval techniques to estimate precipitation from space-based platforms is examined. The model is described, and the results are assessed in conjunction with a Nimbus-7 SMMR case study of precipitation in an intense tropical Pacific storm. It is concluded that the effects of cloud liquid water content must be considered to obtain a realistic estimation and distribution of rainrates.

Forensic firearm identification of semiautomatic handguns using laser formed microstamping elements

NASA Astrophysics Data System (ADS)

Lizotte, Todd E.; Ohar, Orest

2008-08-01

For well over one hundred years the science of Firearm and Tool Mark Identification has relied on the theory that unintentional random tooling marks generated during the manufacture of a firearm onto its interior surfaces are unique to each individual firearm.[1][2] Forensic Firearm and Tool Mark Examiners have had to rely on the analysis of these randomly formed unintentional striations, or scratches and dings, transferred onto ammunition components from firearms used to commit crimes, as a way of developing clues and evidence. Such transfers take place during the cycle of fire and ejection of the cartridge from the firearm during the commission of a crime. The typical striations on the cartridge casings are caused by tooling marks that are randomly formed during the machining of interior surfaces of the manufactured firearm and by other firearm components that come in contact with the cycling ammunition. Components like the firing pin, extractor and ejector, impact the surfaces of the cartridges as they are fed, fired and ejected from the firearm. When found at a crime scene, these striae constitute ballistic evidence when effectively analyzed by a Forensic Firearm and Tool Mark Examiner. Examiners categorize these striations looking for matches to be made between the components that created the marks and the recovered firearm. Reality is that nearly 50% of firearms used in violent crimes are not recovered at a crime scene, requiring the analysis to be processed and logged into evidence files or imaged into reference image databases for future comparison whenever a firearm might be recovered. This paper will present a unique law enforcement technology, embedded into firearms for tracking the sources of illegally trafficked firearms, called Microstamping. Microstamping is a laser based micromachining process that forms microscopic "intentional structures and marks" on components within a firearm. Thus when the firearm is fired, these microstamp structures transfer an identifying tracking code onto the expended cartridge ejected from the firearm. Microstamped structures are laser micromachined alpha numeric and encoded geometric tracking numbers, linked to the serial number of the firearm. Ballistic testing data will be presented covering microstamp transfer quality, transfer rates and survivability/durability. Further information will provide an overview on how microstamping information can be utilized by law enforcement to combat illegal firearm trafficking.

Decay assessment through thermographic analysis in architectural and archaeological heritage

NASA Astrophysics Data System (ADS)

Gomez-Heras, Miguel; Martinez-Perez, Laura; Fort, Rafael; Alvarez de Buergo, Monica

2010-05-01

Any exposed stone-built structure is subject to thermal variations due to daily, seasonal and secular environmental temperature changes. Surface temperature is a function of air temperature (due to convective heat transfer) and of infrared radiation received through insolation. While convective heat transfer homogenizes surface temperature, stone response to insolation is much more complex and the temporal and spatial temperature differences across structures are enhanced. Surface temperature in stone-built structures will be affected by orientation, sunlight inclination and the complex patterns of light and shadows generated by the often intricate morphology of historical artefacts and structures. Surface temperature will also be affected by different material properties, such as albedo, thermal conductivity, transparency and absorbance to infrared radiation of minerals and rocks. Moisture and the occurrence of salts will also be a factor affecting surface temperatures. Surface temperatures may as well be affected by physical disruptions of rocks due to differences in thermal inertia generated by cracks and other discontinuities. Thermography is a non-invasive, non-destructive technique that measures temperature variations on the surface of a material. With this technique, surface temperature rates of change and their spatial variations can be analysed. This analysis may be used not only to evaluate the incidence of thermal decay as a factor that generates or enhances stone decay, but also to detect and evaluate other factors that affect the state of conservation of architectural and archaeological heritage, as for example moisture, salts or mechanical disruptions.

SAM-based cell transfer to photopatterned hydrogels for microengineering vascular-like structures.

PubMed

Sadr, Nasser; Zhu, Mojun; Osaki, Tatsuya; Kakegawa, Takahiro; Yang, Yunzhi; Moretti, Matteo; Fukuda, Junji; Khademhosseini, Ali

2011-10-01

A major challenge in tissue engineering is to reproduce the native 3D microvascular architecture fundamental for in vivo functions. Current approaches still lack a network of perfusable vessels with native 3D structural organization. Here we present a new method combining self-assembled monolayer (SAM)-based cell transfer and gelatin methacrylate hydrogel photopatterning techniques for microengineering vascular structures. Human umbilical vein cell (HUVEC) transfer from oligopeptide SAM-coated surfaces to the hydrogel revealed two SAM desorption mechanisms: photoinduced and electrochemically triggered. The former, occurs concomitantly to hydrogel photocrosslinking, and resulted in efficient (>97%) monolayer transfer. The latter, prompted by additional potential application, preserved cell morphology and maintained high transfer efficiency of VE-cadherin positive monolayers over longer culture periods. This approach was also applied to transfer HUVECs to 3D geometrically defined vascular-like structures in hydrogels, which were then maintained in perfusion culture for 15 days. As a step toward more complex constructs, a cell-laden hydrogel layer was photopatterned around the endothelialized channel to mimic the vascular smooth muscle structure of distal arterioles. This study shows that the coupling of the SAM-based cell transfer and hydrogel photocrosslinking could potentially open up new avenues in engineering more complex, vascularized tissue constructs for regenerative medicine and tissue engineering applications. Copyright © 2011 Elsevier Ltd. All rights reserved.

Symbolic Regression for the Estimation of Transfer Functions of Hydrological Models

NASA Astrophysics Data System (ADS)

Klotz, D.; Herrnegger, M.; Schulz, K.

2017-11-01

Current concepts for parameter regionalization of spatially distributed rainfall-runoff models rely on the a priori definition of transfer functions that globally map land surface characteristics (such as soil texture, land use, and digital elevation) into the model parameter space. However, these transfer functions are often chosen ad hoc or derived from small-scale experiments. This study proposes and tests an approach for inferring the structure and parametrization of possible transfer functions from runoff data to potentially circumvent these difficulties. The concept uses context-free grammars to generate possible proposition for transfer functions. The resulting structure can then be parametrized with classical optimization techniques. Several virtual experiments are performed to examine the potential for an appropriate estimation of transfer function, all of them using a very simple conceptual rainfall-runoff model with data from the Austrian Mur catchment. The results suggest that a priori defined transfer functions are in general well identifiable by the method. However, the deduction process might be inhibited, e.g., by noise in the runoff observation data, often leading to transfer function estimates of lower structural complexity.

Spatially Controlled Noncovalent Functionalization of 2D Materials Based on Molecular Architecture.

PubMed

Bang, Jae Jin; Porter, Ashlin G; Davis, Tyson C; Hayes, Tyler R; Claridge, Shelley A

2018-05-15

Polymerizable amphiphiles can be assembled into lying-down phases on 2D materials such as graphite and graphene to create chemically orthogonal surface patterns at 5-10 nm scales, locally modulating functionality of the 2D basal plane. Functionalization can be carried out through Langmuir-Schaefer conversion, in which a subset of molecules is transferred out of a standing phase film on water onto the 2D substrate. Here, we leverage differences in molecular structure to spatially control transfer at both nanoscopic and microscopic scales. We compare transfer properties of five different single- and dual-chain amphiphiles, demonstrating that those with strong lateral interactions (e.g., hydrogen-bonding networks) exhibit the lowest transfer efficiencies. Since molecular structures also influence microscopic domain morphologies in Langmuir films, we show that it is possible to transfer such microscale patterns, taking advantage of variations in the local transfer rates based on the structural heterogeneity in Langmuir films. Nanoscale domain morphologies also vary in ways that are consistent with predicted relative transfer and diffusion rates. These results suggest strategies to tailor noncovalent functionalization of 2D substrates through controlled LS transfer.

Utilization of a CRT display light pen in the design of feedback control systems

NASA Technical Reports Server (NTRS)

Thompson, J. G.; Young, K. R.

1972-01-01

A hierarchical structure of the interlinked programs was developed to provide a flexible computer-aided design tool. A graphical input technique and a data structure are considered which provide the capability of entering the control system model description into the computer in block diagram form. An information storage and retrieval system was developed to keep track of the system description, and analysis and simulation results, and to provide them to the correct routines for further manipulation or display. Error analysis and diagnostic capabilities are discussed, and a technique was developed to reduce a transfer function to a set of nested integrals suitable for digital simulation. A general, automated block diagram reduction procedure was set up to prepare the system description for the analysis routines.

Comparison of measured brightness temperatures from SMOS with modelled ones from ORCHIDEE and H-TESSEL over the Iberian Peninsula

NASA Astrophysics Data System (ADS)

Barella-Ortiz, Anaïs; Polcher, Jan; de Rosnay, Patricia; Piles, Maria; Gelati, Emiliano

2017-01-01

L-band radiometry is considered to be one of the most suitable techniques to estimate surface soil moisture (SSM) by means of remote sensing. Brightness temperatures are key in this process, as they are the main input in the retrieval algorithm which yields SSM estimates. The work exposed compares brightness temperatures measured by the SMOS mission to two different sets of modelled ones, over the Iberian Peninsula from 2010 to 2012. The two modelled sets were estimated using a radiative transfer model and state variables from two land-surface models: (i) ORCHIDEE and (ii) H-TESSEL. The radiative transfer model used is the CMEM. Measured and modelled brightness temperatures show a good agreement in their temporal evolution, but their spatial structures are not consistent. An empirical orthogonal function analysis of the brightness temperature's error identifies a dominant structure over the south-west of the Iberian Peninsula which evolves during the year and is maximum in autumn and winter. Hypotheses concerning forcing-induced biases and assumptions made in the radiative transfer model are analysed to explain this inconsistency, but no candidate is found to be responsible for the weak spatial correlations at the moment. Further hypotheses are proposed and will be explored in a forthcoming paper. The analysis of spatial inconsistencies between modelled and measured TBs is important, as these can affect the estimation of geophysical variables and TB assimilation in operational models, as well as result in misleading validation studies.

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

DOE PAGES

Martinek, Janna; Wendelin, Timothy; Ma, Zhiwen

2018-04-05

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1Mn 0.9O 3-more » $$\\delta$$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.« less

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martinek, Janna; Wendelin, Timothy; Ma, Zhiwen

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1Mn 0.9O 3-more » $$\\delta$$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.« less

Heat exchanger device and method for heat removal or transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koplow, Jeffrey P

2015-03-24

Systems and methods for a forced-convection heat exchanger are provided. In one embodiment, heat is transferred to or from a thermal load in thermal contact with a heat conducting structure, across a narrow air gap, to a rotating heat transfer structure immersed in a surrounding medium such as air.

Heat exchanger device and method for heat removal or transfer

DOEpatents

Koplow, Jeffrey P [San Ramon, CA

2012-07-24

Systems and methods for a forced-convection heat exchanger are provided. In one embodiment, heat is transferred to or from a thermal load in thermal contact with a heat conducting structure, across a narrow air gap, to a rotating heat transfer structure immersed in a surrounding medium such as air.

Heat exchanger device and method for heat removal or transfer

DOEpatents

Koplow, Jeffrey P

2013-12-10

Systems and methods for a forced-convection heat exchanger are provided. In one embodiment, heat is transferred to or from a thermal load in thermal contact with a heat conducting structure, across a narrow air gap, to a rotating heat transfer structure immersed in a surrounding medium such as air.

Heat exchanger device and method for heat removal or transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koplow, Jeffrey P.

2015-12-08

Systems and methods for a forced-convection heat exchanger are provided. In one embodiment, heat is transferred to or from a thermal load in thermal contact with a heat conducting structure, across a narrow air gap, to a rotating heat transfer structure immersed in a surrounding medium such as air.

Preparation, spectroscopic and structural studies on charge-transfer complexes of 2,9-dimethyl-1,10-phenanthroline with some electron acceptors

NASA Astrophysics Data System (ADS)

Gaballa, Akmal S.; Wagner, Christoph; Teleb, Said M.; Nour, El-Metwally; Elmosallamy, M. A. F.; Kaluđerović, Goran N.; Schmidt, Harry; Steinborn, Dirk

2008-03-01

Charge-transfer (CT) complexes formed in the reactions of 2,9-dimethyl-1,10-phenanthroline (Me 2phen) with some acceptors such as chloranil (Chl), picric acid (HPA) and chloranilic acid (H 2CA) have been studied in the defined solvent at room temperature. Based on elemental analysis and infrared spectra of the solid CT-complexes along with the photometric titration curves for the reactions, obtained data indicate the formation of 1:1 charge-transfer complexes [(Me 2phen)(Chl)] ( 1), [(Me 2phenH)(PA)] ( 2) and [(Me 2phenH)(HCA)] ( 3), respectively, was proposed. In the three complexes, infrared and 1H NMR spectroscopic data indicate a charge-transfer interaction and as far as complexes 2 and 3 are concerned this interaction is associated with a hydrogen bonding. The formation constants for the complexes ( KC) were shown to be dependent upon the nature of the electron acceptors used. The X-ray structure of complex 3 indicate the formation of dimeric units [Me 2phenH] 2[(HCA) 2] in which the two anions (HCA) - are connected by two O-H⋯O hydrogen bonds whereas the cations and anions are joined together by strong three-center (bifurcated) N-H⋯O hydrogen bonds. Furthermore, the cations are arranged in a π-π stacking.

Structural Health Monitoring of a Composite Panel Based on PZT Sensors and a Transfer Impedance Framework.

PubMed

Dziendzikowski, Michal; Niedbala, Patryk; Kurnyta, Artur; Kowalczyk, Kamil; Dragan, Krzysztof

2018-05-11

One of the ideas for development of Structural Health Monitoring (SHM) systems is based on excitation of elastic waves by a network of PZT piezoelectric transducers integrated with the structure. In the paper, a variant of the so-called Transfer Impedance (TI) approach to SHM is followed. Signal characteristics, called the Damage Indices (DIs), were proposed for data presentation and analysis. The idea underlying the definition of DIs was to maintain most of the information carried by the voltage induced on PZT sensors by elastic waves. In particular, the DIs proposed in the paper should be sensitive to all types of damage which can influence the amplitude or the phase of the voltage induced on the sensor. Properties of the proposed DIs were investigated experimentally using a GFRP composite panel equipped with PZT networks attached to its surface and embedded into its internal structure. Repeatability and stability of DI indications under controlled conditions were verified in tests. Also, some performance indicators for surface-attached and structure-embedded sensors were obtained. The DIs' behavior was dependent mostly on the presence of a simulated damage in the structure. Anisotropy of mechanical properties of the specimen, geometrical properties of PZT network as well as, to some extent, the technology of sensor integration with the structure were irrelevant for damage indication. This property enables the method to be used for damage detection and classification.

The fine tuning of carotenoid-chlorophyll interactions in light-harvesting complexes: an important requisite to guarantee efficient photoprotection via triplet-triplet energy transfer in the complex balance of the energy transfer processes

NASA Astrophysics Data System (ADS)

Di Valentin, Marilena; Carbonera, Donatella

2017-08-01

Triplet-triplet energy transfer (TTET) from the chlorophyll to the carotenoid triplet state is the process exploited by photosynthetic systems to protect themselves from singlet oxygen formation under light-stress conditions. A deep comprehension of the molecular strategies adopted to guarantee TTET efficiency, while at the same time maintaining minimal energy loss and efficient light-harvesting capability, is still lacking. The paramagnetic nature of the triplet state makes electron paramagnetic resonance (EPR) the method of choice when investigating TTET. In this review, we focus on our extended comparative study of two photosynthetic antenna complexes, the Peridinin-chlorophyll a-protein of dinoflagellates and the light-harvesting complex II of higher plants, in order to point out important aspects of the molecular design adopted in the photoprotection strategy. We have demonstrated that a proper analysis of the EPR data allows one to identify the pigments involved in TTET and, consequently, gain an insight into the structure of the photoprotective sites. The structural information has been complemented by a detailed description of the electronic structure provided by hyperfine spectroscopy. All these elements represent the fundamental building blocks toward a deeper understanding of the requirements for efficient photoprotection, which is fundamental to guarantee the prolonged energy conversion action of photosynthesis.

Enhancing the superconducting temperature of MgB2 by SWCNT dilution

NASA Astrophysics Data System (ADS)

Ma, Danhao; Jayasingha, Ruwantha; Hess, Dustin T.; Adu, Kofi W.; Sumanasekera, Gamini U.; Terrones, Mauricio

2014-02-01

We report, for the first time, an increase in the superconducting critical temperature, TC of commercial “dirty” MgB2 by a nonsubstitutional hole-doping of the MgB2 structure using minute, single-wall carbon nanotube (SWCNT) inclusions. We varied the SWCNTs concentration from 0.05 wt% to 5 wt% and investigated the temperature-dependent resistivity from 10 K to 300 K. We used micro-Raman spectroscopy, field-emission scanning electron microscopy, and X-ray diffraction to analyze the interfacial interactions between the SWCNTs and the MgB2 grains. We obtained an increase in TC from 33.0 to 37.8 K (ΔTC+=4.8 K), which is attributed to charge transfer from the MgB2 structure to the SWCNT structure. The charge transfer phenomenon is confirmed by micro-Raman analysis of the phonon states of the SWCNT tangential band frequency in the composites. We determined the charge transfer per carbon atom to be 0.0023/C, 0.0018/C and 0.0008/C for 0.05 wt%, 0.5 wt% and 5 wt% SWCNT inclusions, respectively, taking into account the contributions from the softening of the lattice constant and the nonadiabatic (dynamic) effects at the Fermi level. This report provides an experimental, alternative pathway to hole-doping of MgB2 without appealing to chemical substitution.

Laser-induced Forward Transfer of Ag Nanopaste.

PubMed

Breckenfeld, Eric; Kim, Heungsoo; Auyeung, Raymond C Y; Piqué, Alberto

2016-03-31

Over the past decade, there has been much development of non-lithographic methods(1-3) for printing metallic inks or other functional materials. Many of these processes such as inkjet(3) and laser-induced forward transfer (LIFT)(4) have become increasingly popular as interest in printable electronics and maskless patterning has grown. These additive manufacturing processes are inexpensive, environmentally friendly, and well suited for rapid prototyping, when compared to more traditional semiconductor processing techniques. While most direct-write processes are confined to two-dimensional structures and cannot handle materials with high viscosity (particularly inkjet), LIFT can transcend both constraints if performed properly. Congruent transfer of three dimensional pixels (called voxels), also referred to as laser decal transfer (LDT)(5-9), has recently been demonstrated with the LIFT technique using highly viscous Ag nanopastes to fabricate freestanding interconnects, complex voxel shapes, and high-aspect-ratio structures. In this paper, we demonstrate a simple yet versatile process for fabricating a variety of micro- and macroscale Ag structures. Structures include simple shapes for patterning electrical contacts, bridging and cantilever structures, high-aspect-ratio structures, and single-shot, large area transfers using a commercial digital micromirror device (DMD) chip.

Laser-induced Forward Transfer of Ag Nanopaste

PubMed Central

Breckenfeld, Eric; Kim, Heungsoo; Auyeung, Raymond C. Y.; Piqué, Alberto

2016-01-01

Over the past decade, there has been much development of non-lithographic methods1-3 for printing metallic inks or other functional materials. Many of these processes such as inkjet3 and laser-induced forward transfer (LIFT)4 have become increasingly popular as interest in printable electronics and maskless patterning has grown. These additive manufacturing processes are inexpensive, environmentally friendly, and well suited for rapid prototyping, when compared to more traditional semiconductor processing techniques. While most direct-write processes are confined to two-dimensional structures and cannot handle materials with high viscosity (particularly inkjet), LIFT can transcend both constraints if performed properly. Congruent transfer of three dimensional pixels (called voxels), also referred to as laser decal transfer (LDT)5-9, has recently been demonstrated with the LIFT technique using highly viscous Ag nanopastes to fabricate freestanding interconnects, complex voxel shapes, and high-aspect-ratio structures. In this paper, we demonstrate a simple yet versatile process for fabricating a variety of micro- and macroscale Ag structures. Structures include simple shapes for patterning electrical contacts, bridging and cantilever structures, high-aspect-ratio structures, and single-shot, large area transfers using a commercial digital micromirror device (DMD) chip. PMID:27077645

One Size Fits All: Evaluation of the Transferability of a New "Learning" Histologic Image Analysis Application.

PubMed

Arlt, Janine; Homeyer, André; Sänger, Constanze; Dahmen, Uta; Dirsch, Olaf

2016-01-01

Quantitative analysis of histologic slides is of importance for pathology and also to address surgical questions. Recently, a novel application was developed for the automated quantification of whole-slide images. The aim of this study was to test and validate the underlying image analysis algorithm with respect to user friendliness, accuracy, and transferability to different histologic scenarios. The algorithm splits the images into tiles of a predetermined size and identifies the tissue class of each tile. In the training procedure, the user specifies example tiles of the different tissue classes. In the subsequent analysis procedure, the algorithm classifies each tile into the previously specified classes. User friendliness was evaluated by recording training time and testing reproducibility of the training procedure of users with different background. Accuracy was determined with respect to single and batch analysis. Transferability was demonstrated by analyzing tissue of different organs (rat liver, kidney, small bowel, and spleen) and with different stainings (glutamine synthetase and hematoxylin-eosin). Users of different educational background could apply the program efficiently after a short introduction. When analyzing images with similar properties, accuracy of >90% was reached in single images as well as in batch mode. We demonstrated that the novel application is user friendly and very accurate. With the "training" procedure the application can be adapted to novel image characteristics simply by giving examples of relevant tissue structures. Therefore, it is suitable for the fast and efficient analysis of high numbers of fully digitalized histologic sections, potentially allowing "high-throughput" quantitative "histomic" analysis.

Optimal orbit transfer suitable for large flexible structures

NASA Technical Reports Server (NTRS)

Chatterjee, Alok K.

1989-01-01

The problem of continuous low-thrust planar orbit transfer of large flexible structures is formulated as an optimal control problem with terminal state constraints. The dynamics of the spacecraft motion are treated as a point-mass central force field problem; the thrust-acceleration magnitude is treated as an additional state variable; and the rate of change of thrust-acceleration is treated as a control variable. To ensure smooth transfer, essential for flexible structures, an additional quadratic term is appended to the time cost functional. This term penalizes any abrupt change in acceleration. Numerical results are presented for the special case of a planar transfer.

Turbine blade tip durability analysis

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Laflen, J. H.; Spamer, G. T.

1981-01-01

An air-cooled turbine blade from an aircraft gas turbine engine chosen for its history of cracking was subjected to advanced analytical and life-prediction techniques. The utility of advanced structural analysis techniques and advanced life-prediction techniques in the life assessment of hot section components are verified. Three dimensional heat transfer and stress analyses were applied to the turbine blade mission cycle and the results were input into advanced life-prediction theories. Shortcut analytical techniques were developed. The proposed life-prediction theories are evaluated.

Analysis of small scale turbulent structures and the effect of spatial scales on gas transfer

NASA Astrophysics Data System (ADS)

Schnieders, Jana; Garbe, Christoph

2014-05-01

The exchange of gases through the air-sea interface strongly depends on environmental conditions such as wind stress and waves which in turn generate near surface turbulence. Near surface turbulence is a main driver of surface divergence which has been shown to cause highly variable transfer rates on relatively small spatial scales. Due to the cool skin of the ocean, heat can be used as a tracer to detect areas of surface convergence and thus gather information about size and intensity of a turbulent process. We use infrared imagery to visualize near surface aqueous turbulence and determine the impact of turbulent scales on exchange rates. Through the high temporal and spatial resolution of these types of measurements spatial scales as well as surface dynamics can be captured. The surface heat pattern is formed by distinct structures on two scales - small-scale short lived structures termed fish scales and larger scale cold streaks that are consistent with the footprints of Langmuir Circulations. There are two key characteristics of the observed surface heat patterns: 1. The surface heat patterns show characteristic features of scales. 2. The structure of these patterns change with increasing wind stress and surface conditions. In [2] turbulent cell sizes have been shown to systematically decrease with increasing wind speed until a saturation at u* = 0.7 cm/s is reached. Results suggest a saturation in the tangential stress. Similar behaviour has been observed by [1] for gas transfer measurements at higher wind speeds. In this contribution a new model to estimate the heat flux is applied which is based on the measured turbulent cell size und surface velocities. This approach allows the direct comparison of the net effect on heat flux of eddies of different sizes and a comparison to gas transfer measurements. Linking transport models with thermographic measurements, transfer velocities can be computed. In this contribution, we will quantify the effect of small scale processes on interfacial transport and relate it to gas transfer. References [1] T. G. Bell, W. De Bruyn, S. D. Miller, B. Ward, K. Christensen, and E. S. Saltzman. Air-sea dimethylsulfide (DMS) gas transfer in the North Atlantic: evidence for limited interfacial gas exchange at high wind speed. Atmos. Chem. Phys. , 13:11073-11087, 2013. [2] J Schnieders, C. S. Garbe, W.L. Peirson, and C. J. Zappa. Analyzing the footprints of near surface aqueous turbulence - an image processing based approach. Journal of Geophysical Research-Oceans, 2013.

Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

NASA Astrophysics Data System (ADS)

Amerikheirabadi, Fatemeh

Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

Optical and positron annihilation spectroscopic studies on PMMA polymer doped by rhodamine B/chloranilic acid charge transfer complex: Special relevance to the effect of γ-ray irradiation.

PubMed

Hassan, H E; Refat, Moamen S; Sharshar, T

2016-04-15

Polymeric sheets of poly (methylmethaclyerate) (PMMA) containing charge transfer (CT) complex of rhodamine B/chloranilic acid (Rho B/CHA) were synthesized in methanol solvent at room temperature. The systematic analysis done on the Rho B and its CT complex in the form of powder or polymeric sheets confirmed their structure and thermal stability. The IR spectra interpreted the charge transfer mode of interaction between the CHA central positions and the terminal carboxylic group. The polymer sheets were irradiated with 70 kGy of γ radiation using (60)Co source to study the enhanced changes in the structure and optical parameters. The microstructure changes of the PMMA sheets caused by γ-ray irradiation were analyzed using positron annihilation lifetime (PAL) and positron annihilation Doppler broadening (PADB) techniques. The positron life time components (τ(i)) and their corresponding intensities (I(i)) as well as PADB line-shape parameters (S and W) were found to be highly sensitive to the enhanced disorder occurred in the organic chains of the polymeric sheets due to γ-irradiation. Copyright © 2016 Elsevier B.V. All rights reserved.

Functional relevance of interindividual differences in temporal lobe callosal pathways: a DTI tractography study.

PubMed

Westerhausen, René; Grüner, Renate; Specht, Karsten; Hugdahl, Kenneth

2009-06-01

The midsagittal corpus callosum is topographically organized, that is, with regard to their cortical origin several subtracts can be distinguished within the corpus callosum that belong to specific functional brain networks. Recent diffusion tensor tractography studies have also revealed remarkable interindividual differences in the size and exact localization of these tracts. To examine the functional relevance of interindividual variability in callosal tracts, 17 right-handed male participants underwent structural and diffusion tensor magnetic resonance imaging. Probabilistic tractography was carried out to identify the callosal subregions that interconnect left and right temporal lobe auditory processing areas, and the midsagittal size of this tract was seen as indicator of the (anatomical) strength of this connection. Auditory information transfer was assessed applying an auditory speech perception task with dichotic presentations of consonant-vowel syllables (e.g., /ba-ga/). The frequency of correct left ear reports in this task served as a functional measure of interhemispheric transfer. Statistical analysis showed that a stronger anatomical connection between the superior temporal lobe areas supports a better information transfer. This specific structure-function association in the auditory modality supports the general notion that interindividual differences in callosal topography possess functional relevance.

Near-field heat transfer between graphene/hBN multilayers

NASA Astrophysics Data System (ADS)

Zhao, Bo; Guizal, Brahim; Zhang, Zhuomin M.; Fan, Shanhui; Antezza, Mauro

2017-06-01

We study the radiative heat transfer between multilayer structures made by a periodic repetition of a graphene sheet and a hexagonal boron nitride (hBN) slab. Surface plasmons in a monolayer graphene can couple with hyperbolic phonon polaritons in a single hBN film to form hybrid polaritons that can assist photon tunneling. For periodic multilayer graphene/hBN structures, the stacked metallic/dielectric array can give rise to a further effective hyperbolic behavior, in addition to the intrinsic natural hyperbolic behavior of hBN. The effective hyperbolicity can enable more hyperbolic polaritons that enhance the photon tunneling and hence the near-field heat transfer. However, the hybrid polaritons on the surface, i.e., surface plasmon-phonon polaritons, dominate the near-field heat transfer between multilayer structures when the topmost layer is graphene. The effective hyperbolic regions can be well predicted by the effective medium theory (EMT), thought EMT fails to capture the hybrid surface polaritons and results in a heat transfer rate much lower compared to the exact calculation. The chemical potential of the graphene sheets can be tuned through electrical gating and results in an additional modulation of the heat transfer. We found that the near-field heat transfer between multilayer structures does not increase monotonously with the number of layers in the stack, which provides a way to control the heat transfer rate by the number of graphene layers in the multilayer structure. The results may benefit the applications of near-field energy harvesting and radiative cooling based on hybrid polaritons in two-dimensional materials.

Precision and accuracy in smFRET based structural studies—A benchmark study of the Fast-Nano-Positioning System

NASA Astrophysics Data System (ADS)

Nagy, Julia; Eilert, Tobias; Michaelis, Jens

2018-03-01

Modern hybrid structural analysis methods have opened new possibilities to analyze and resolve flexible protein complexes where conventional crystallographic methods have reached their limits. Here, the Fast-Nano-Positioning System (Fast-NPS), a Bayesian parameter estimation-based analysis method and software, is an interesting method since it allows for the localization of unknown fluorescent dye molecules attached to macromolecular complexes based on single-molecule Förster resonance energy transfer (smFRET) measurements. However, the precision, accuracy, and reliability of structural models derived from results based on such complex calculation schemes are oftentimes difficult to evaluate. Therefore, we present two proof-of-principle benchmark studies where we use smFRET data to localize supposedly unknown positions on a DNA as well as on a protein-nucleic acid complex. Since we use complexes where structural information is available, we can compare Fast-NPS localization to the existing structural data. In particular, we compare different dye models and discuss how both accuracy and precision can be optimized.

Coupled multi-disciplinary simulation of composite engine structures in propulsion environment

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Singhal, Surendra N.

1992-01-01

A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency, mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation and the various advantages of composite materials compared to metals.

Environmental cost and pollution risk caused by the industrial transfer in Qinghai Province

NASA Astrophysics Data System (ADS)

Jiang, Qun'ou; Tang, Chengcai; Zhan, Jinyan; Zhang, Wei; Wu, Feng

2014-09-01

With the rising pressure due to energy consumption and costs of environmental protection and recovery, industrial transfer from the eastern to central and western areas has surged in China. However, extremely fragile ecological conditions and severe water shortage are significant hurdles for industry development in Western China. Whether the vulnerable environment can bear the pollution caused by the transferred industry from Eastern China becomes a significant issue. This study firstly estimates energy and environmental costs in different areas of China, and assesses the necessity to upgrade the industrial structure of Qinghai Province. Then the emissions of waste water, waste gas, and smoke caused by transferred industries are calculated by Input-Output Model. On the basis of the effect analysis of waste emission on environment, pollution risks of Qinghai province are assessed. The results illustrate that the costs of environmental protection and recovery in China have a gradient distribution, of which the energy efficiency is lower while environmental costs are higher in Western China. Industrial structure adjustment has different impacts on the pollution of different sectors. Although the development of machinery and equipment, hotels and catering services, and real estate, leasing, and business services has increased the emission of pollutants, it is offset by the decreasing emissions caused by other industries such as construction and metal products. Therefore, although economic development will increase environmental pollution, industrial adjustments can effectively decrease waste water and waste gas emissions to reduce the pollution risk. It should be noted that there are still tremendous challenges for industrial transfer in Qinghai Province to coordinate the environment and industry development.

Transfer of motor learning engages specific neural substrates during motor memory consolidation dependent on the practice structure.

PubMed

Kantak, Shailesh S; Sullivan, Katherine J; Fisher, Beth E; Knowlton, Barbara J; Winstein, Carolee J

2011-01-01

The authors investigated how brain activity during motor-memory consolidation contributes to transfer of learning to novel versions of a motor skill following distinct practice structures. They used 1 Hz repetitive Transcranial Magnetic Stimulation (rTMS) immediately after constant or variable practice of an arm movement skill to interfere with primary motor cortex (M1) or dorsolateral prefrontal cortex (DLPFC). The effect of interference was assessed through skill performance on two transfer targets: one within and one outside the range of practiced movement parameters for the variable practice group. For the control (no rTMS) group, variable practice benefited delayed transfer performance more than constant practice. The rTMS effect on delayed transfer performance differed for the two transfer targets. For the within-range target, rTMS interference had no significant affect on the delayed transfer after either practice structure. However, for the outside-range target, rTMS interference to DLPFC but not M1 attenuated delayed transfer benefit following variable practice. Additionally, for the outside-range target, rTMS interference to M1 but not DLPFC attenuated delayed transfer following constant practice. This suggests that variable practice may promote reliance on DLPFC for memory consolidation associated with outside-range transfer of learning, whereas constant practice may promote reliance on M1 for consolidation and long-term transfer.

Improved Displacement Transfer Functions for Structure Deformed Shape Predictions Using Discretely Distributed Surface Strains

NASA Technical Reports Server (NTRS)

Ko, William L.; Fleischer, Van Tran

2012-01-01

In the formulations of earlier Displacement Transfer Functions for structure shape predictions, the surface strain distributions, along a strain-sensing line, were represented with piecewise linear functions. To improve the shape-prediction accuracies, Improved Displacement Transfer Functions were formulated using piecewise nonlinear strain representations. Through discretization of an embedded beam (depth-wise cross section of a structure along a strain-sensing line) into multiple small domains, piecewise nonlinear functions were used to describe the surface strain distributions along the discretized embedded beam. Such piecewise approach enabled the piecewise integrations of the embedded beam curvature equations to yield slope and deflection equations in recursive forms. The resulting Improved Displacement Transfer Functions, written in summation forms, were expressed in terms of beam geometrical parameters and surface strains along the strain-sensing line. By feeding the surface strains into the Improved Displacement Transfer Functions, structural deflections could be calculated at multiple points for mapping out the overall structural deformed shapes for visual display. The shape-prediction accuracies of the Improved Displacement Transfer Functions were then examined in view of finite-element-calculated deflections using different tapered cantilever tubular beams. It was found that by using the piecewise nonlinear strain representations, the shape-prediction accuracies could be greatly improved, especially for highly-tapered cantilever tubular beams.

Electron transfer flavoprotein domain II orientation monitored using double electron-electron resonance between an enzymatically reduced, native FAD cofactor, and spin labels

PubMed Central

Swanson, Michael A; Kathirvelu, Velavan; Majtan, Tomas; Frerman, Frank E; Eaton, Gareth R; Eaton, Sandra S

2011-01-01

Human electron transfer flavoprotein (ETF) is a soluble mitochondrial heterodimeric flavoprotein that links fatty acid β-oxidation to the main respiratory chain. The crystal structure of human ETF bound to medium chain acyl-CoA dehydrogenase indicates that the flavin adenine dinucleotide (FAD) domain (αII) is mobile, which permits more rapid electron transfer with donors and acceptors by providing closer access to the flavin and allows ETF to accept electrons from at least 10 different flavoprotein dehydrogenases. Sequence homology is high and low-angle X-ray scattering is identical for Paracoccus denitrificans (P. denitrificans) and human ETF. To characterize the orientations of the αII domain of P. denitrificans ETF, distances between enzymatically reduced FAD and spin labels in the three structural domains were measured by double electron-electron resonance (DEER) at X- and Q-bands. An FAD to spin label distance of 2.8 ± 0.15 nm for the label in the FAD-containing αII domain (A210C) agreed with estimates from the crystal structure (3.0 nm), molecular dynamics simulations (2.7 nm), and rotamer library analysis (2.8 nm). Distances between the reduced FAD and labels in αI (A43C) were between 4.0 and 4.5 ± 0.35 nm and for βIII (A111C) the distance was 4.3 ± 0.15 nm. These values were intermediate between estimates from the crystal structure of P. denitrificans ETF and a homology model based on substrate-bound human ETF. These distances suggest that the αII domain adopts orientations in solution that are intermediate between those which are observed in the crystal structures of free ETF (closed) and ETF bound to a dehydrogenase (open). PMID:21308847

Charge Profile Analysis Reveals That Activation of Pro-apoptotic Regulators Bax and Bak Relies on Charge Transfer Mediated Allosteric Regulation

PubMed Central

Ionescu, Crina-Maria; Svobodová Vařeková, Radka; Prehn, Jochen H. M.; Huber, Heinrich J.; Koča, Jaroslav

2012-01-01

The pro-apoptotic proteins Bax and Bak are essential for executing programmed cell death (apoptosis), yet the mechanism of their activation is not properly understood at the structural level. For the first time in cell death research, we calculated intra-protein charge transfer in order to study the structural alterations and their functional consequences during Bax activation. Using an electronegativity equalization model, we investigated the changes in the Bax charge profile upon activation by a functional peptide of its natural activator protein, Bim. We found that charge reorganizations upon activator binding mediate the exposure of the functional sites of Bax, rendering Bax active. The affinity of the Bax C-domain for its binding groove is decreased due to the Arg94-mediated abrogation of the Ser184-Asp98 interaction. We further identified a network of charge reorganizations that confirms previous speculations of allosteric sensing, whereby the activation information is conveyed from the activation site, through the hydrophobic core of Bax, to the well-distanced functional sites of Bax. The network was mediated by a hub of three residues on helix 5 of the hydrophobic core of Bax. Sequence and structural alignment revealed that this hub was conserved in the Bak amino acid sequence, and in the 3D structure of folded Bak. Our results suggest that allostery mediated by charge transfer is responsible for the activation of both Bax and Bak, and that this might be a prototypical mechanism for a fast activation of proteins during signal transduction. Our method can be applied to any protein or protein complex in order to map the progress of allosteric changes through the proteins' structure. PMID:22719244

Apparatus and method of direct water cooling several parallel circuit cards each containing several chip packages

DOEpatents

Cipolla, Thomas M [Katonah, NY; Colgan, Evan George [Chestnut Ridge, NY; Coteus, Paul W [Yorktown Heights, NY; Hall, Shawn Anthony [Pleasantville, NY; Tian, Shurong [Mount Kisco, NY

2011-12-20

A cooling apparatus, system and like method for an electronic device includes a plurality of heat producing electronic devices affixed to a wiring substrate. A plurality of heat transfer assemblies each include heat spreaders and thermally communicate with the heat producing electronic devices for transferring heat from the heat producing electronic devices to the heat transfer assemblies. The plurality of heat producing electronic devices and respective heat transfer assemblies are positioned on the wiring substrate having the regions overlapping. A heat conduit thermally communicates with the heat transfer assemblies. The heat conduit circulates thermally conductive fluid therethrough in a closed loop for transferring heat to the fluid from the heat transfer assemblies via the heat spreader. A thermally conductive support structure supports the heat conduit and thermally communicates with the heat transfer assemblies via the heat spreader transferring heat to the fluid of the heat conduit from the support structure.

Matrix Transfer Function Design for Flexible Structures: An Application

NASA Technical Reports Server (NTRS)

Brennan, T. J.; Compito, A. V.; Doran, A. L.; Gustafson, C. L.; Wong, C. L.

1985-01-01

The application of matrix transfer function design techniques to the problem of disturbance rejection on a flexible space structure is demonstrated. The design approach is based on parameterizing a class of stabilizing compensators for the plant and formulating the design specifications as a constrained minimization problem in terms of these parameters. The solution yields a matrix transfer function representation of the compensator. A state space realization of the compensator is constructed to investigate performance and stability on the nominal and perturbed models. The application is made to the ACOSSA (Active Control of Space Structures) optical structure.

Analysis of Lunar Seismic Signals: Determination of Instrumental Parameters and Seismic Velocity Distributions. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Horvath, P.

1979-01-01

Inverse filters were designed to correct the effect of instrumental response, coupling of the seismometer to the ground, and near surface structures. The least squares technique was used to determine the instrumental constants and the transfer functions of the long period lunar seismographs. The influence of noise and the results of these calculations are discussed.

Structural MRI and Cognitive Correlates in Pest-control Personnel from Gulf War I

DTIC Science & Technology

2009-04-01

Medicine where they will be reconstructed for morphometric analyses by the study imaging expert, Dr. Killiany. All the images will be transferred to... geometric design; assess ability to organize and construct Raw Score...MRI and morphometric analysis of the images. The results of the current study will be able to compare whether brain imaging differences exist

Transfer path analysis: Current practice, trade-offs and consideration of damping

NASA Astrophysics Data System (ADS)

Oktav, Akın; Yılmaz, Çetin; Anlaş, Günay

2017-02-01

Current practice of experimental transfer path analysis is discussed in the context of trade-offs between accuracy and time cost. An overview of methods, which propose solutions for structure borne noise, is given, where assumptions, drawbacks and advantages of methods are stated theoretically. Applicability of methods is also investigated, where an engine induced structure borne noise of an automobile is taken as a reference problem. Depending on this particular problem, sources of measurement errors, processing operations that affect results and physical obstacles faced in the application are analysed. While an operational measurement is common in all stated methods, when it comes to removal of source, or the need for an external excitation, discrepancies are present. Depending on the chosen method, promised outcomes like independent characterisation of the source, or getting information about mounts also differ. Although many aspects of the problem are reported in the literature, damping and its effects are not considered. Damping effect is embedded in the measured complex frequency response functions, and it is needed to be analysed in the post processing step. Effects of damping, reasons and methods to analyse them are discussed in detail. In this regard, a new procedure, which increases the accuracy of results, is also proposed.

Proteomic Analysis and Identification of the Structural and Regulatory Proteins of the Rhodobacter capsulatus Gene Transfer Agent

PubMed Central

Chen, Frank; Spano, Anthony; Goodman, Benjamin E.; Blasier, Kiev R.; Sabat, Agnes; Jeffery, Erin; Norris, Andrew; Shabanowitz, Jeffrey; Hunt, Donald F.; Lebedev, Nikolai

2010-01-01

The gene transfer agent of Rhodobacter capsulatus (GTA) is a unique phage-like particle that exchanges genetic information between members of this same species of bacterium. Besides being an excellent tool for genetic mapping, the GTA has a number of advantages for biotechnological and nanoengineering purposes. To facilitate the GTA purification and identify the proteins involved in GTA expression, assembly and regulation, in the present work we construct and transform into R. capsulatus Y262 a gene coding for a C-terminally His-tagged capsid protein. The constructed protein was expressed in the cells, assembled into chimeric GTA particles inside the cells and excreted from the cells into surrounding medium. Transmission electron micrographs of phosphotungstate-stained, NiNTA-purified chimeric GTA confirm that its structure is similar to normal GTA particles, with many particles composed both of a head and a tail. The mass spectrometric proteomic analysis of polypeptides present in the GTA recovered outside the cells shows that GTA is composed of at least 9 proteins represented in the GTA gene cluster including proteins coded for by Orf’s 3, 5, 6–9, 11, 13, and 15. PMID:19105630

Proteomic analysis and identification of the structural and regulatory proteins of the Rhodobacter capsulatus gene transfer agent.

PubMed

Chen, Frank; Spano, Anthony; Goodman, Benjamin E; Blasier, Kiev R; Sabat, Agnes; Jeffery, Erin; Norris, Andrew; Shabanowitz, Jeffrey; Hunt, Donald F; Lebedev, Nikolai

2009-02-01

The gene transfer agent of Rhodobacter capsulatus (GTA) is a unique phage-like particle that exchanges genetic information between members of this same species of bacterium. Besides being an excellent tool for genetic mapping, the GTA has a number of advantages for biotechnological and nanoengineering purposes. To facilitate the GTA purification and identify the proteins involved in GTA expression, assembly and regulation, in the present work we construct and transform into R. capsulatus Y262 a gene coding for a C-terminally His-tagged capsid protein. The constructed protein was expressed in the cells, assembled into chimeric GTA particles inside the cells and excreted from the cells into surrounding medium. Transmission electron micrographs of phosphotungstate-stained, NiNTA-purified chimeric GTA confirm that its structure is similar to normal GTA particles, with many particles composed both of a head and a tail. The mass spectrometric proteomic analysis of polypeptides present in the GTA recovered outside the cells shows that GTA is composed of at least 9 proteins represented in the GTA gene cluster including proteins coded for by Orf's 3, 5, 6-9, 11, 13, and 15.

Novel Compound Heterozygous Mutations Expand the Recognized Phenotypes of FARS2-Linked Disease.

PubMed

Walker, Melissa A; Mohler, Kyle P; Hopkins, Kyle W; Oakley, Derek H; Sweetser, David A; Ibba, Michael; Frosch, Matthew P; Thibert, Ronald L

2016-08-01

Mutations in mitochondrial aminoacyl-tRNA synthetases are an increasingly recognized cause of human diseases, often arising in individuals with compound heterozygous mutations and presenting with system-specific phenotypes, frequently neurologic. FARS2 encodes mitochondrial phenylalanyl transfer ribonucleic acid (RNA) synthetase (mtPheRS), perturbations of which have been reported in 6 cases of an infantile, lethal disease with refractory epilepsy and progressive myoclonus. Here the authors report the case of juvenile onset refractory epilepsy and progressive myoclonus with compound heterozygous FARS2 mutations. The authors describe the clinical course over 6 years of care at their institution and diagnostic studies including electroencephalogram (EEG), brain magnetic resonance imaging (MRI), serum and cerebrospinal fluid analyses, skeletal muscle biopsy histology, and autopsy gross and histologic findings, which include features shared with Alpers-Huttenlocher syndrome, Leigh syndrome, and a previously published case of FARS2 mutation associated infantile onset disease. The authors also present structure-guided analysis of the relevant mutations based on published mitochondrial phenylalanyl transfer RNA synthetase and related protein crystal structures as well as biochemical analysis of the corresponding recombinant mutant proteins. © The Author(s) 2016.

Theoretical evidence of charge transfer interaction between SO₂ and deep eutectic solvents formed by choline chloride and glycerol.

PubMed

Li, Hongping; Chang, Yonghui; Zhu, Wenshuai; Wang, Changwei; Wang, Chao; Yin, Sheng; Zhang, Ming; Li, Huaming

2015-11-21

The nature of the interaction between deep eutectic solvents (DESs), formed by ChCl and glycerol, and SO2 has been systematically investigated using the M06-2X density functional combined with cluster models. Block-localized wave function energy decomposition (BLW-ED) analysis shows that the interaction between SO2 and DESs is dominated by a charge transfer interaction. After this interaction, the SO2 molecule becomes negatively charged, whereas the ChCl-glycerol molecule is positively charged, which is the result of Lewis acid-base interaction. The current result affords a theoretical proof that it is highly useful and efficient to manipulate the Lewis acidity of absorbents for SO2 capture. Moreover, hydrogen bonding as well as electrostatic interactions may also contribute to the stability of the complex. Structure analysis shows that solvent molecules will adjust their geometries to interact with SO2. In addition, the structure of SO2 is barely changed after interaction. The interaction energy between different cluster models and SO2 ranges from -6.8 to -14.4 kcal mol(-1). It is found that the interaction energy is very sensitive to the solvent structure. The moderate interaction between ChCl-glycerol and SO2 is consistent with the concept that highly efficient solvents for SO2 absorption should not only be solvable but also regenerable.

Transient thermal analysis of a titanium multiwall thermal protection system

NASA Technical Reports Server (NTRS)

Blosser, M. L.

1982-01-01

The application of the SPAR thermal analyzer to the thermal analysis of a thermal protection system concept is discussed. The titanium multiwall thermal protection system concept consists of alternate flat and dimpled sheets which are joined together at the crests of the dimples and formed into 30 cm by 30 cm (12 in. by 12 in.) tiles. The tiles are mechanically attached to the structure. The complex tile geometry complicates thermal analysis. Three modes of heat transfer were considered: conduction through the gas inside the tile, conduction through the metal, and radiation between the various layers. The voids between the dimpled and flat sheets were designed to be small enough so that natural convection is insignificant (e.g., Grashof number 1000). A two step approach was used in the thermal analysis of the multiwall thermal protection system. First, an effective normal (through-the-thickness) thermal conductivity was obtained from a steady state analysis using a detailed SPAR finite element model of a small symmetric section of the multiwall tile. This effective conductivity was then used in simple one dimensional finite element models for preliminary analysis of several transient heat transfer problems.

Common View Time Transfer Using Worldwide GPS and DMA Monitor Stations

NASA Technical Reports Server (NTRS)

Reid, Wilson G.; McCaskill, Thomas B.; Oaks, Orville J.; Buisson, James A.; Warren, Hugh E.

1996-01-01

Analysis of the on-orbit Navstar clocks and the Global Positioning System (GPS) monitor station reference clocks is performed by the Naval Research Laboratory using both broadcast and postprocessed precise ephemerides. The precise ephemerides are produced by the Defense Mapping Agency (DMA) for each of the GPS space vehicles from pseudo-range measurements collected at five GPS and at five DMA monitor stations spaced around the world. Recently, DMA established an additional site co-located with the US Naval Observatory precise time site. The time reference for the new DMA site is the DoD Master Clock. Now, for the first time, it is possible to transfer time every 15 minutes via common view from the DoD Master Clock to the 11 GPS and DMA monitor stations. The estimated precision of a single common-view time transfer measurement taken over a 15-minute interval was between 1.4 and 2.7 nanoseconds. Using the measurements from all Navstar space vehicles in common view during the 15-minute interval, typically 3-7 space vehicles, improved the estimate of the precision to between 0.65 and 1.13 nanoseconds. The mean phase error obtained from closure of the time transfer around the world using the 11 monitor stations and the 25 space vehicle clocks over a period of 4 months had a magnitude of 31 picoseconds. Analysis of the low noise time transfer from the DoD Master Clock to each of the monitor stations yields not only the bias in the time of the reference clock, but also focuses attention on structure in the behaviour of the reference clock not previously seen. Furthermore, the time transfer provides a a uniformly sampled database of 15-minute measurements that make possible, for the first time, the direct and exhaustive computation of the frequency stability of the monitor station reference clocks. To lend perspective to the analysis, a summary is given of the discontinuities in phase and frequency that occurred in the reference clock at the Master Control Station during the period covered by the analysis.

The Role of Interactional Quality in Learning from Touch Screens during Infancy: Context Matters.

PubMed

Zack, Elizabeth; Barr, Rachel

2016-01-01

Interactional quality has been shown to enhance learning during book reading and play, but has not been examined during touch screen use. Learning to apply knowledge from a touch screen is complex for infants because it involves transfer of learning between a two-dimensional (2D) screen and three-dimensional (3D) object in the physical world. This study uses a touch screen procedure to examine interactional quality measured via maternal structuring, diversity of maternal language, and dyadic emotional responsiveness and infant outcomes during a transfer of learning task. Fifty 15-month-old infants and their mothers participated in this semi-naturalistic teaching task. Mothers were given a 3D object, and a static image of the object presented on a touch screen. Mothers had 5 min to teach their infant that a button on the real toy works in the same way as a virtual button on the touch screen (or vice versa). Overall, 64% of infants learned how to make the button work, transferring learning from the touch screen to the 3D object or vice versa. Infants were just as successful in the 3D to 2D transfer direction as they were in the 2D to 3D transfer direction. A cluster analysis based on emotional responsiveness, the proportion of diverse maternal verbal input, and amount of maternal structuring resulted in two levels of interactional quality: high quality and moderate quality. A logistic regression revealed the level of interactional quality predicted infant transfer. Infants were 19 times more likely to succeed and transfer learning between the touch screen and real object if they were in a high interactional quality dyad, even after controlling for infant activity levels. The present findings suggest that interactional quality between mother and infant plays an important role in making touch screens effective teaching tools for infants' learning.

Investigating molecule-semiconductor interfaces with nonlinear spectroscopies

NASA Astrophysics Data System (ADS)

Giokas, Paul George

Knowledge of electronic structures and transport mechanisms at molecule-semiconductor interfaces is motivated by their ubiquity in photoelectrochemical cells. In this dissertation, optical spectroscopies are used uncover the influence of electronic coupling, coherent vibrational motion, and molecular geometry, and other factors on dynamics initiated by light absorption at such interfaces. These are explored for a family of ruthenium bipyridyl chromophores bound to titanium dioxide. Transient absorption measurements show molecular singlet state electron injection in 100 fs or less. Resonance Raman intensity analysis suggests the electronic excitations possess very little charge transfer character. The connections drawn in this work between molecular structure and photophysical behavior contribute to the general understanding of photoelectrochemical cells. Knowledge of binding geometry in nanocrystalline films is challenged by heterogeneity of semiconductor surfaces. Polarized resonance Raman spectroscopy is used to characterize the ruthenium chromophore family on single crystal titanium dioxide . Chromophores display a broad distribution of molecular geometries at the interface, with increased variation in binding angle due to the presence of a methylene bridge, as well as additional phosphonate anchors. This result implies multiple binding configurations for chromophores which incorporate multiple phosphonate ligands, and indicates the need for careful consideration when developing surface-assembled chromophore-catalyst cells. Electron transfer transitions occurring on the 100 fs time scale challenge conventional second-order approximations made when modeling these reactions. A fourth-order perturbative model which includes the relationship between coincident electron transfer and nuclear relaxation processes is presented. Insights provided by the model are illustrated for a two-level donor molecule. The presented fourth-order rate formula constitutes a rigorous and intuitive framework for understanding sub-picosecond photoinduced electron transfer dynamics. Charge transfer systems fit by this model include catechol-sensitized titanium dioxide nanoparticles and a closely-related molecular complex. These systems exhibit vibrational coherence coincident with back-electron transfer in the first picosecond after excitation, which suggests that intramolecular nuclear motion strongly influences the electronic transfer process and plays an important role in the dynamics of interfacial systems following light absorption.

The Role of Interactional Quality in Learning from Touch Screens during Infancy: Context Matters

PubMed Central

Zack, Elizabeth; Barr, Rachel

2016-01-01

Interactional quality has been shown to enhance learning during book reading and play, but has not been examined during touch screen use. Learning to apply knowledge from a touch screen is complex for infants because it involves transfer of learning between a two-dimensional (2D) screen and three-dimensional (3D) object in the physical world. This study uses a touch screen procedure to examine interactional quality measured via maternal structuring, diversity of maternal language, and dyadic emotional responsiveness and infant outcomes during a transfer of learning task. Fifty 15-month-old infants and their mothers participated in this semi-naturalistic teaching task. Mothers were given a 3D object, and a static image of the object presented on a touch screen. Mothers had 5 min to teach their infant that a button on the real toy works in the same way as a virtual button on the touch screen (or vice versa). Overall, 64% of infants learned how to make the button work, transferring learning from the touch screen to the 3D object or vice versa. Infants were just as successful in the 3D to 2D transfer direction as they were in the 2D to 3D transfer direction. A cluster analysis based on emotional responsiveness, the proportion of diverse maternal verbal input, and amount of maternal structuring resulted in two levels of interactional quality: high quality and moderate quality. A logistic regression revealed the level of interactional quality predicted infant transfer. Infants were 19 times more likely to succeed and transfer learning between the touch screen and real object if they were in a high interactional quality dyad, even after controlling for infant activity levels. The present findings suggest that interactional quality between mother and infant plays an important role in making touch screens effective teaching tools for infants’ learning. PMID:27625613

Chemical and physical investigations on the charge transfer interaction of organic donors with iodine and its application as non-traditional organic conductors

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; Sharshar, T.; Adam, Abdel Majid A.; Elsabawy, Khaled M.; Hemeda, O. M.

2014-09-01

The iso-leucine-iodide and methionine-iodide charge-transfer complexes were prepared and characterized using different spectroscopic techniques. The iodide charge-transfer complexes were synthesized by grinding KI-I2-amino acid with 1:1:1 M ratio in presence of few drops of methanol solvent. The structures of both solid amino acid iodide charge-transfer complexes are discussed with the help of the obtained results of the infrared and Raman laser spectra, Uv-vis. electronic spectra and thermal analyses. The electrical properties (AC resistivity and dielectric constant) of both complexes were investigated. The positron annihilation Doppler broadening (PADB) spectroscopies were also used to probe the structural changes of both complexes. The PADB line-shape parameters (S and W) were found to be dependent on the structure, electronic configuration of the charge transfer complex. The PADB technique is a powerful tool to probe the structural features of the KI-I2-amino acid complexes.

Ultra-high performance fiber-reinforced concrete (UHPFRC) for infrastructure rehabilitation : volume 1 : evaluation of ultra high strength concrete (UHSC) in joints of bridge girders.

DOT National Transportation Integrated Search

2017-03-01

Joints are often considered as the weak link in a structure and often deterioration of the structure initiates from the : joints. Joints transfer the stresses from super-structure to sub-structure and in this process are subjected to large : transfer...

NASTRAN thermal analyzer: A general purpose finite element heat transfer computer program

NASA Technical Reports Server (NTRS)

Lee, H.; Mason, J. B.

1972-01-01

The program not only can render temperature distributions in solids subjected to various thermal boundary conditions, including effects of diffuse-gray thermal radiation, but is fully compatible in capacity and in the finite-element model representation with that of its structural counterpart in the NASTRAN system. The development history of the finite-element approach for determining temperatures is summarized. The scope of analysis capability, program structure, features, and limitations are given with the objective of providing NASTRAN users with an overall veiw of the NASTRAN thermal analyzer.

Data Storing Proposal from Heterogeneous Systems into a Specialized Repository

NASA Astrophysics Data System (ADS)

Václavová, Andrea; Tanuška, Pavol; Jánošík, Ján

2016-12-01

The aim of this paper is to analyze and to propose an appropriate system for processing and simultaneously storing a vast volume of structured and unstructured data. The paper consists of three parts. The first part addresses the issue of structured and unstructured data. The second part provides the detailed analysis of data repositories and subsequent evaluation indicating which system would be for the given type and volume of data optimal. The third part focuses on the use of gathered information to transfer data to the proposed repository.

Preliminary study on the potential usefulness of array processor techniques for structural synthesis

NASA Technical Reports Server (NTRS)

Feeser, L. J.

1980-01-01

The effects of the use of array processor techniques within the structural analyzer program, SPAR, are simulated in order to evaluate the potential analysis speedups which may result. In particular the connection of a Floating Point System AP120 processor to the PRIME computer is discussed. Measurements of execution, input/output, and data transfer times are given. Using these data estimates are made as to the relative speedups that can be executed in a more complete implementation on an array processor maxi-mini computer system.

Defining Electron Bifurcation in the Electron-Transferring Flavoprotein Family.

PubMed

Garcia Costas, Amaya M; Poudel, Saroj; Miller, Anne-Frances; Schut, Gerrit J; Ledbetter, Rhesa N; Fixen, Kathryn R; Seefeldt, Lance C; Adams, Michael W W; Harwood, Caroline S; Boyd, Eric S; Peters, John W

2017-11-01

Electron bifurcation is the coupling of exergonic and endergonic redox reactions to simultaneously generate (or utilize) low- and high-potential electrons. It is the third recognized form of energy conservation in biology and was recently described for select electron-transferring flavoproteins (Etfs). Etfs are flavin-containing heterodimers best known for donating electrons derived from fatty acid and amino acid oxidation to an electron transfer respiratory chain via Etf-quinone oxidoreductase. Canonical examples contain a flavin adenine dinucleotide (FAD) that is involved in electron transfer, as well as a non-redox-active AMP. However, Etfs demonstrated to bifurcate electrons contain a second FAD in place of the AMP. To expand our understanding of the functional variety and metabolic significance of Etfs and to identify amino acid sequence motifs that potentially enable electron bifurcation, we compiled 1,314 Etf protein sequences from genome sequence databases and subjected them to informatic and structural analyses. Etfs were identified in diverse archaea and bacteria, and they clustered into five distinct well-supported groups, based on their amino acid sequences. Gene neighborhood analyses indicated that these Etf group designations largely correspond to putative differences in functionality. Etfs with the demonstrated ability to bifurcate were found to form one group, suggesting that distinct conserved amino acid sequence motifs enable this capability. Indeed, structural modeling and sequence alignments revealed that identifying residues occur in the NADH- and FAD-binding regions of bifurcating Etfs. Collectively, a new classification scheme for Etf proteins that delineates putative bifurcating versus nonbifurcating members is presented and suggests that Etf-mediated bifurcation is associated with surprisingly diverse enzymes. IMPORTANCE Electron bifurcation has recently been recognized as an electron transfer mechanism used by microorganisms to maximize energy conservation. Bifurcating enzymes couple thermodynamically unfavorable reactions with thermodynamically favorable reactions in an overall spontaneous process. Here we show that the electron-transferring flavoprotein (Etf) enzyme family exhibits far greater diversity than previously recognized, and we provide a phylogenetic analysis that clearly delineates bifurcating versus nonbifurcating members of this family. Structural modeling of proteins within these groups reveals key differences between the bifurcating and nonbifurcating Etfs. Copyright © 2017 American Society for Microbiology.

Defining Electron Bifurcation in the Electron-Transferring Flavoprotein Family

PubMed Central

Garcia Costas, Amaya M.; Poudel, Saroj; Miller, Anne-Frances; Schut, Gerrit J.; Ledbetter, Rhesa N.; Seefeldt, Lance C.; Adams, Michael W. W.

2017-01-01

ABSTRACT Electron bifurcation is the coupling of exergonic and endergonic redox reactions to simultaneously generate (or utilize) low- and high-potential electrons. It is the third recognized form of energy conservation in biology and was recently described for select electron-transferring flavoproteins (Etfs). Etfs are flavin-containing heterodimers best known for donating electrons derived from fatty acid and amino acid oxidation to an electron transfer respiratory chain via Etf-quinone oxidoreductase. Canonical examples contain a flavin adenine dinucleotide (FAD) that is involved in electron transfer, as well as a non-redox-active AMP. However, Etfs demonstrated to bifurcate electrons contain a second FAD in place of the AMP. To expand our understanding of the functional variety and metabolic significance of Etfs and to identify amino acid sequence motifs that potentially enable electron bifurcation, we compiled 1,314 Etf protein sequences from genome sequence databases and subjected them to informatic and structural analyses. Etfs were identified in diverse archaea and bacteria, and they clustered into five distinct well-supported groups, based on their amino acid sequences. Gene neighborhood analyses indicated that these Etf group designations largely correspond to putative differences in functionality. Etfs with the demonstrated ability to bifurcate were found to form one group, suggesting that distinct conserved amino acid sequence motifs enable this capability. Indeed, structural modeling and sequence alignments revealed that identifying residues occur in the NADH- and FAD-binding regions of bifurcating Etfs. Collectively, a new classification scheme for Etf proteins that delineates putative bifurcating versus nonbifurcating members is presented and suggests that Etf-mediated bifurcation is associated with surprisingly diverse enzymes. IMPORTANCE Electron bifurcation has recently been recognized as an electron transfer mechanism used by microorganisms to maximize energy conservation. Bifurcating enzymes couple thermodynamically unfavorable reactions with thermodynamically favorable reactions in an overall spontaneous process. Here we show that the electron-transferring flavoprotein (Etf) enzyme family exhibits far greater diversity than previously recognized, and we provide a phylogenetic analysis that clearly delineates bifurcating versus nonbifurcating members of this family. Structural modeling of proteins within these groups reveals key differences between the bifurcating and nonbifurcating Etfs. PMID:28808132

Accretion Structures in Algol-Type Interacting Binary Systems

NASA Astrophysics Data System (ADS)

Peters, Geraldine

The physics of mass transfer in interacting binaries of the Algol type will be investigated through an analysis of an extensive collection of FUV spectra from the FUSE spacecraft, Kepler photometry, and FUV spectra from IUE and ORFEUS-SPAS II. The Algols range from close direct impact systems to wider systems that contain prominent accretion disks. Several components of the circumstellar (CS) material have been identified, including the gas stream, splash/outflow domains, a high temperature accretion region (HTAR), accretion disk, and magnetically-controlled flows (cf. Peters 2001, 2007, Richards et al. 2010). Hot spots are sometimes seen at the site where the gas stream impacts the mass gainer's photosphere. Collectively we call these components of mass transfer "accretion structures". The CS material will be studied from an analysis of both line-of-sight FUV absorption features and emission lines. The emission line regions will be mapped in and above/below the orbital plane with 2D and 3D Doppler tomography techniques. We will look for the presence of hot accretion spots in both the Kepler photometry of Algols in the Kepler fields and phase-dependent flux variability in the FUSE spectra. We will also search for evidence of microflaring at the impact site of the gas stream. An abundance study of the mass gainer will reveal the extent to which CNO-processed material from the core of the mass loser is being deposited on the primary. Analysis codes that will be used include 2D and 3D tomography codes, SHELLSPEC, light curve analysis programs such as PHOEBE and Wilson-Devinney, and the NLTE codes TLUSTY/SYNSPEC. This project will transform our understanding of the mass transfer process from a generic to a hydrodynamical one and provide important information on the degree of mass loss from the system which is needed for calculations of the evolution of Algol binaries.

On the formulation of a minimal uncertainty model for robust control with structured uncertainty

NASA Technical Reports Server (NTRS)

Belcastro, Christine M.; Chang, B.-C.; Fischl, Robert

1991-01-01

In the design and analysis of robust control systems for uncertain plants, representing the system transfer matrix in the form of what has come to be termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents a transfer function matrix M(s) of the nominal closed loop system, and the delta represents an uncertainty matrix acting on M(s). The nominal closed loop system M(s) results from closing the feedback control system, K(s), around a nominal plant interconnection structure P(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unsaturated uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, but for real parameter variations delta is a diagonal matrix of real elements. Conceptually, the M-delta structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the currently available literature addresses computational methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty, where the term minimal refers to the dimension of the delta matrix. Since having a minimally dimensioned delta matrix would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta would be useful. Hence, a method of obtaining the interconnection system P(s) is required. A generalized procedure for obtaining a minimal P-delta structure for systems with real parameter variations is presented. Using this model, the minimal M-delta model can then be easily obtained by closing the feedback loop. The procedure involves representing the system in a cascade-form state-space realization, determining the minimal uncertainty matrix, delta, and constructing the state-space representation of P(s). Three examples are presented to illustrate the procedure.

1. Exterior view of Signal Transfer Building (T28A), looking southwest. ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

1. Exterior view of Signal Transfer Building (T-28A), looking southwest. This structure houses controls for propellant transfer, instrumentation for testing, test data transmission receivers, data verification equipment, and centralized utilities for the Systems Integration Laboratory complex. The gantries of the Systems Integration Laboratory Building (T-28) are visible to the rear of this structure. - Air Force Plant PJKS, Systems Integration Laboratory, Signal Transfer Building, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

Enhancement of electron correlation due to the molecular dimerization in organic superconductors β -(BDA-TTP )2X (X =I3, SbF6)

NASA Astrophysics Data System (ADS)

Aizawa, Hirohito; Kuroki, Kazuhiko; Yamada, Jun-ichi

2015-10-01

We perform a first-principles band calculation for quasi-two-dimensional organic superconductors β -(BDA -TTP) 2I3 and β -(BDA -TTP) 2SbF6. The first-principles band structures between the I3 and SbF6 salts are apparently different. We construct a tight-binding model for each material which accurately reproduces the first-principles band structure. The obtained transfer energies give the differences as follows: (i) larger dimerization in the I3 salt than the SbF6 salt, and (ii) different signs and directions of the interstacking transfer energies. To decompose the origin of the difference into the dimerization and the interstacking transfer energies, we adopt a simplified model by eliminating the dimerization effect and focus only on the difference caused by the interstacking transfer energies. From the analysis using the simplified model, we find that the difference of the band structure comes mainly from the strength of the dimerization. To compare the strength of the electron correlation having roots in the band structure, we calculate the physical properties originating from the effect of the electron correlation such as the spin susceptibility applying the two-particle self-consistent method. We find that the maximum value of the spin susceptibility for the I3 salt is larger than that of the SbF6 salt. Hypothetically decreasing the dimerization within the model of the I3 salt, the spin susceptibility takes almost the same value as that of the SbF6 salt for the same magnitude of the dimerization. We expect that the different ground state between the I3 and SbF6 salt mainly comes from the strength of the dimerization which is apparently masked in the band calculation along a particular k path.

Analysis and experimental study on the strain transfer mechanism of an embedded basalt fiber-encapsulated fiber Bragg grating sensor

NASA Astrophysics Data System (ADS)

Zhang, Zhenglin; Wang, Yuan; Sun, Yangyang; Zhang, Qinghua; You, Zewei; Huang, Xiaodi

2017-01-01

The precision of the encapsulated fiber optic sensor embedded into a host suffers from the influences of encapsulating materials. Furthermore, an interface transfer effect of strain sensing exists. This study uses an embedded basalt fiber-encapsulated fiber Bragg grating (FBG) sensor as the research object to derive an expression in a multilayer interface strain transfer coefficient by considering the mechanical properties of the host material. The direct impact of the host material on the strain transfer at an embedded multipoint continuous FBG (i.e., multiple gratings written on a single optical fiber) monitoring strain sensor, which was self-developed and encapsulated with basalt fiber, is studied to present the strain transfer coefficients corresponding to the positions of various gratings. The strain transfer coefficients of the sensor are analyzed based on the experiments designed for this study. The error of the experimental results is ˜2 μɛ when the strain is at 60 μɛ and below. Moreover, the measured curves almost completely coincide with the theoretical curves. The changes in the internal strain field inside the embedded structure of the basalt fiber-encapsulated FBG strain sensor could be easily monitored. Hence, important references are provided to measure the internal stress strain of the sensor.

Gene transfer device utilizing micron-spiked electrodes produced by the self-organization phenomenon of Fe-alloy.

PubMed

Miyano, Naoki; Inoue, Yuuki; Teramura, Yuji; Fujii, Keisuke; Tsumori, Fujio; Iwata, Hiroo; Kotera, Hidetoshi

2008-07-01

In the diffusional phase transformation of two-phase alloys, the new phase precipitates form the matrix phase at specific temperatures, followed by the formation of a mixed microstructure comprising the precipitate and the matrix. It has been found that by specific chemical-etching treatment, the precipitate in Fe-25Cr-6Ni alloy projects substantially and clusters at the surface. The configuration of the precipitate has an extremely high aspect ratio: it is several microns in width and several tens of microns in length (known as micron-spiked). This study targets the development of a gene transfer device with a micro-spike produced based on the self-organization phenomenon of the Fe-25Cr-6Ni alloy. With this spike-projected device, we tried to efficiently transfer plasmid DNA into adherent cells by electric pulse-triggered gene transfer using a plasmid-loaded electrode (electroporation-based reverse transfection). The spiked structure was applied to a substrate of the device to allow efficient gene transfer into adherent cells, although the general substrate was flat and had a smooth surface. The results suggest that this unique spike-projected device has potential applications in gene transfer devices for the analysis of the human genome in the post-genome period.

Change of plans: an evaluation of the effectiveness and underlying mechanisms of successful talent transfer.

PubMed

Collins, Rosie; Collins, Dave; MacNamara, Aine; Jones, Martin Ian

2014-01-01

Talent transfer (TT) is a recently formalised process used to identify and develop talented athletes by selecting individuals who have already succeeded in one sport and transferring them to another. Despite the increasing popularity of TT amongst national organisations and sport governing body professionals, however, there is little empirical evidence as to its efficacy or how it may be most efficiently employed. Accordingly, this investigation was designed to gain a deeper understanding of the effectiveness and underlying mechanisms of TT, achieved through a two-part study. Stage 1 provided a quantitative analysis of the incidence and distribution or, in this respect, epidemiology of TT, finding the most popular transfer to be sprinting to bobsleigh, with an average transfer age of 19 years. Stage 2 scrutinised the TT process and explored the specific cases revealed in stage 1 by examining the perceptions of four sport science support specialists who had worked in TT settings, finding several emergent themes which, they felt, could explain the TT processes. The most prominent theme was the psychosocial mechanism of TT, an aspect currently missing from TT initiatives, suggesting that current TT systems are poorly structured and should redress their approach to develop a more integrated scheme that encompasses all potential mechanisms of transfer.

Modeling, docking and dynamics simulations of a non-specific lipid transfer protein from Peganum harmala L.

PubMed

Shi, Zheng; Wang, Zi-jie; Xu, Huai-long; Tian, Yang; Li, Xin; Bao, Jin-ku; Sun, Su-rong; Yue, Bi-song

2013-12-01

Non-specific lipid transfer proteins (ns-LTPs), ubiquitously found in various types of plants, have been well-known to transfer amphiphilic lipids and promote the lipid exchange between mitochondria and microbody. In this study, an in silico analysis was proposed to study ns-LTP in Peganum harmala L., which may belong to ns-LTP1 family, aiming at constructing its three-dimensional structure. Moreover, we adopted MEGA to analyze ns-LTPs and other species phylogenetically, which brought out an initial sequence alignment of ns-LTPs. In addition, we used molecular docking and molecular dynamics simulations to further investigate the affinities and stabilities of ns-LTP with several ligands complexes. Taken together, our results about ns-LTPs and their ligand-binding activities can provide a better understanding of the lipid-protein interactions, indicating some future applications of ns-LTP-mediated transport. Copyright © 2013 Elsevier Ltd. All rights reserved.

Energy transfer between Eu-Mn and photoluminescence properties of Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ solid solution

NASA Astrophysics Data System (ADS)

Zhou, Jun; Wang, Yuhua; Liu, Bitao; Li, Feng

2010-08-01

In order to evaluate the energy transfer between Eu-Mn in Ba0.75Al11O17.25-BaMgAl10O17 solid solution, Ba0.75Al11O17.25-BaMgAl10O17:Eu2+,Mn2+ phosphors were prepared by flux method. The crystal structure and the morphology of the solid solution were demonstrated by x-ray dirrfactometer and scanning electron microscopy. The photoluminescence mechanisms were explained by the energy transfer of Eu2+ to Mn2+ and the Dexter theory. A redshift of green emission peak and a decrease in decay time with the increase in Mn2+ concentration were observed. These phenomena are attributed to the formation of Mn2+ paired centers after analysis by a method of Pade approximations.

Low lift-to-drag aero-assisted orbit transfer vehicles

NASA Technical Reports Server (NTRS)

Andrews, D. G.; Savage, R. T.

1984-01-01

The results of systems analysis conducted on low life drag ratio (L/D) aero-assisted orbit transfer vehicle (AOTV's) are presented. The objectives for this class of vehicle and formulate technology development plans and funding levels to bring the required technologies to readiness levels, as well as develop a credible decision data base encompassing the entire range of low L/D concepts for use in future NASA Aeroassist Orbit Transfer Vehicles studies. Each candidate low L/D concept, the aerobrake, the lifting brake, and the aeromaneuvering concept could be made to work with technologies achievable by the early 1990's. All concepts require flexible structure with flexible thermal protection system (TPS) to be successfully integrated into the shuttle orbiter for launch, all required improvements in guidance and control to fly the dispersed atmospheres at high altitude, and all concepts had potential to evolve from ground-based to space-based operations.

Organic Solar Cells beyond One Pair of Donor-Acceptor: Ternary Blends and More.

PubMed

Yang, Liqiang; Yan, Liang; You, Wei

2013-06-06

Ternary solar cells enjoy both an increased light absorption width, and an easy fabrication process associated with their simple structures. Significant progress has been made for such solar cells with demonstrated efficiencies over 7%; however, their fundamental working principles are still under investigation. This Perspective is intended to offer our insights on the three major governing mechanisms in these intriguing ternary solar cells: charge transfer, energy transfer, and parallel-linkage. Through careful analysis of exemplary cases, we summarize the advantages and limitations of these three major mechanisms and suggest future research directions. For example, incorporating additional singlet fission or upconversion materials into the energy transfer dominant ternary solar cells has the potential to break the theoretical efficiency limit in single junction organic solar cells. Clearly, a feedback loop between fundamental understanding and materials selection is in urgent need to accelerate the efficiency improvement of these ternary solar cells.

Transferable Force Field for Metal–Organic Frameworks from First-Principles: BTW-FF

PubMed Central

2014-01-01

We present an ab-initio derived force field to describe the structural and mechanical properties of metal–organic frameworks (or coordination polymers). The aim is a transferable interatomic potential that can be applied to MOFs regardless of metal or ligand identity. The initial parametrization set includes MOF-5, IRMOF-10, IRMOF-14, UiO-66, UiO-67, and HKUST-1. The force field describes the periodic crystal and considers effective atomic charges based on topological analysis of the Bloch states of the extended materials. Transferable potentials were developed for the four organic ligands comprising the test set and for the associated Cu, Zn, and Zr metal nodes. The predicted materials properties, including bulk moduli and vibrational frequencies, are in agreement with explicit density functional theory calculations. The modal heat capacity and lattice thermal expansion are also predicted. PMID:25574157

Radiative Transfer Analysis of Neptune’s New Dark Vortex

NASA Astrophysics Data System (ADS)

Tollefson, Joshua; Luszcz-Cook, Statia H.; Wong, Michael H.; de Pater, Imke

2017-10-01

A new dark spot on Neptune was discovered in late 2015, named: "SDS-2015" for "Southern Dark Spot discovered in 2015". Subsequent observations from Hubble Space Telescope Mid-Cycle 23 (PI: Wong) and the Outer Planetary Atmospheres Legacy (OPAL) programs (PI: Simon-Miller) took the first multispectral data over multiple viewing geometries of a Neptunian dark spot, spanning wavelengths from 336 to 763nm. SDS-2015 is visible at blue wavelengths, with contrast from the background atmosphere peaking at 467nm. In this abstract, we present a radiative transfer analysis of the dark spot and surrounding background atmosphere. We summarize our retrieved properties of Neptune's background atmosphere, including its aerosol structure and methane profile, and compare our findings in the optical wavelengths to those in the near-infrared. We then discuss various hypotheses about the make up of SDS-2015 and its interaction with the background atmosphere.

Views on the impact of HOST

NASA Technical Reports Server (NTRS)

Esgar, J. B.; Sokolowski, Daniel E.

1989-01-01

The Hot Section Technology (HOST) Project, which was initiated by NASA Lewis Research Center in 1980 and concluded in 1987, was aimed at improving advanced aircraft engine hot section durability through better technical understanding and more accurate design analysis capability. The project was a multidisciplinary, multiorganizational, focused research effort that involved 21 organizations and 70 research and technology activities and generated approximately 250 research reports. No major hardware was developed. To evaluate whether HOST had a significant impact on the overall aircraft engine industry in the development of new engines, interviews were conducted with 41 participants in the project to obtain their views. The summarized results of these interviews are presented. Emphasis is placed on results relative to three-dimensional inelastic structural analysis, thermomechanical fatigue testing, constitutive modeling, combustor aerothermal modeling, turbine heat transfer, protective coatings, computer codes, improved engine design capability, reduced engine development costs, and the impacts on technology transfer and the industry-government partnership.

Development of a thermal and structural analysis procedure for cooled radial turbines

NASA Technical Reports Server (NTRS)

Kumar, Ganesh N.; Deanna, Russell G.

1988-01-01

A procedure for computing the rotor temperature and stress distributions in a cooled radial turbine is considered. Existing codes for modeling the external mainstream flow and the internal cooling flow are used to compute boundary conditions for the heat transfer and stress analyses. An inviscid, quasi three-dimensional code computes the external free stream velocity. The external velocity is then used in a boundary layer analysis to compute the external heat transfer coefficients. Coolant temperatures are computed by a viscous one-dimensional internal flow code for the momentum and energy equation. These boundary conditions are input to a three-dimensional heat conduction code for calculation of rotor temperatures. The rotor stress distribution may be determined for the given thermal, pressure and centrifugal loading. The procedure is applied to a cooled radial turbine which will be tested at the NASA Lewis Research Center. Representative results from this case are included.

Acquisition of Triacylglycerol Transfer Activity by Microsomal Triglyceride Transfer Protein During Evolution

PubMed Central

Rava, Paul; Hussain, M. Mahmood

2008-01-01

Microsomal triglyceride transfer protein (MTP) is essential for the assembly of neutral lipid rich apolipoprotein B (apoB)-lipoproteins. Previously we reported that the Drosophila MTP transfers phospholipids but does not transfer triglycerides. In contrast, human MTP transfers both lipids. To explore the acquisition of triglyceride transfer activity by MTP, we evaluated amino acid sequences, protein structures, as well as the biochemical and cellular properties of various MTP orthologs obtained from species that diverged during evolution. All MTP orthologs shared similar secondary and tertiary structures, associated with protein disulfide isomerase, localized to the endoplasmic reticulum, and supported apoB secretion. While vertebrate MTPs transferred triglyceride invertebrate MTPs lacked this activity. Thus, triglyceride transfer activity was acquired during the transition from invertebrates to vertebrates. Within vertebrates, fish, amphibians, and birds displayed 27%, 40% and 100% triglyceride transfer activity compared to mammals. We conclude that MTP triglyceride transfer activity first appeared in fish and speculate that the acquisition of triglyceride transfer activity by MTP provided for a significant advantage in the evolution of larger and more complex organisms. PMID:17924655

Analysis of 2-spar cantilever wings with special reference to torsion and load transference

NASA Technical Reports Server (NTRS)

Kuhn, Paul

1936-01-01

This report deals with the analysis of 2-spar cantilever wings in torsion, taking cognizance of the fact that the spars are not independent, but are interconnected by ribs and other structural members. The principles of interaction are briefly explained, showing that the mutual relief action occurring depends on the "pure torsional stiffness" of the wing cross section. Various practical methods of analysis are outlined. The "Friedrichs-Von Karman equations" are shown to require the least amount of labor. Numerical examples by the several methods of analysis are given and the agreement between the calculation and experiment is shown.

Contexts, concepts and cognition: principles for the transfer of basic science knowledge.

PubMed

Kulasegaram, Kulamakan M; Chaudhary, Zarah; Woods, Nicole; Dore, Kelly; Neville, Alan; Norman, Geoffrey

2017-02-01

Transfer of basic science aids novices in the development of clinical reasoning. The literature suggests that although transfer is often difficult for novices, it can be optimised by two complementary strategies: (i) focusing learners on conceptual knowledge of basic science or (ii) exposing learners to multiple contexts in which the basic science concepts may apply. The relative efficacy of each strategy as well as the mechanisms that facilitate transfer are unknown. In two sequential experiments, we compared both strategies and explored mechanistic changes in how learners address new transfer problems. Experiment 1 was a 2 × 3 design in which participants were randomised to learn three physiology concepts with or without emphasis on the conceptual structure of basic science via illustrative analogies and by means of one, two or three contexts during practice (operationalised as organ systems). Transfer of these concepts to explain pathologies in familiar organ systems (near transfer) and unfamiliar organ systems (far transfer) was evaluated during immediate and delayed testing. Experiment 2 examined whether exposure to conceptual analogies and multiple contexts changed how learners classified new problems. Experiment 1 showed that increasing context variation significantly improved far transfer performance but there was no difference between two and three contexts during practice. Similarly, the increased conceptual analogies led to higher performance for far transfer. Both interventions had independent but additive effects on overall performance. Experiment 2 showed that such analogies and context variation caused learners to shift to using structural characteristics to classify new problems even when there was superficial similarity to previous examples. Understanding problems based on conceptual structural characteristics is necessary for successful transfer. Transfer of basic science can be optimised by using multiple strategies that collectively emphasise conceptual structure. This means teaching must focus on conserved basic science knowledge and de-emphasise superficial features. © 2017 John Wiley & Sons Ltd and The Association for the Study of Medical Education.

An efficient liner cooling scheme for advanced small gas turbine combustors

NASA Technical Reports Server (NTRS)

Paskin, Marc D.; Mongia, Hukam C.; Acosta, Waldo A.

1993-01-01

A joint Army/NASA program was conducted to design, fabricate, and test an advanced, small gas turbine, reverse-flow combustor utilizing a compliant metal/ceramic (CMC) wall cooling concept. The objectives of this effort were to develop a design method (basic design data base and analysis) for the CMC cooling technique and then demonstrate its application to an advanced cycle, small, reverse-flow combustor with 3000 F burner outlet temperature. The CMC concept offers significant improvements in wall cooling effectiveness resulting in a large reduction in cooling air requirements. Therefore, more air is available for control of burner outlet temperature pattern in addition to the benefits of improved efficiency, reduced emissions, and lower smoke levels. The program was divided into four tasks. Task 1 defined component materials and localized design of the composite wall structure in conjunction with development of basic design models for the analysis of flow and heat transfer through the wall. Task 2 included implementation of the selected materials and validated design models during combustor preliminary design. Detail design of the selected combustor concept and its refinement with 3D aerothermal analysis were completed in Task 3. Task 4 covered detail drawings, process development and fabrication, and a series of burner rig tests. The purpose of this paper is to provide details of the investigation into the fundamental flow and heat transfer characteristics of the CMC wall structure as well as implementation of the fundamental analysis method for full-scale combustor design.

The repABC plasmids with quorum-regulated transfer systems in members of the Rhizobiales divide into two structurally and separately evolving groups

DOE PAGES

Wetzel, Margaret E.; Olsen, Gary J.; Chakravartty, Vandana; ...

2015-11-19

The large repABC plasmids of the order Rhizobiales with Class I quorum-regulated conjugative transfer systems often define the nature of the bacterium that harbors them. These otherwise diverse plasmids contain a core of highly conserved genes for replication and conjugation raising the question of their evolutionary relationships. In an analysis of 18 such plasmids these elements fall into two organizational classes, Group I and Group II, based on the sites at which cargo DNA is located. Cladograms constructed from proteins of the transfer and quorum-sensing components indicated that those of the Group I plasmids, while coevolving, have diverged from thosemore » coevolving proteins of the Group II plasmids. Moreover, within these groups the phylogenies of the proteins usually occupy similar, if not identical, tree topologies. Remarkably, such relationships were not seen among proteins of the replication system; although RepA and RepB coevolve, RepC does not. Nor do the replication proteins coevolve with the proteins of the transfer and quorum-sensing systems. Functional analysis was mostly consistent with phylogenies. TraR activated promoters from plasmids within its group, but not between groups and dimerized with TraR proteins from within but not between groups. However, oriT sequences, which are highly conserved, were processed by the transfer system of plasmids regardless of group. Here, we conclude that these plasmids diverged into two classes based on the locations at which cargo DNA is inserted, that the quorum-sensing and transfer functions are coevolving within but not between the two groups, and that this divergent evolution extends to function.« less

Serotonergic psychedelics temporarily modify information transfer in humans.

PubMed

Alonso, Joan Francesc; Romero, Sergio; Mañanas, Miquel Àngel; Riba, Jordi

2015-03-28

Psychedelics induce intense modifications in the sensorium, the sense of "self," and the experience of reality. Despite advances in our understanding of the molecular and cellular level mechanisms of these drugs, knowledge of their actions on global brain dynamics is still incomplete. Recent imaging studies have found changes in functional coupling between frontal and parietal brain structures, suggesting a modification in information flow between brain regions during acute effects. Here we assessed the psychedelic-induced changes in directionality of information flow during the acute effects of a psychedelic in humans. We measured modifications in connectivity of brain oscillations using transfer entropy, a nonlinear measure of directed functional connectivity based on information theory. Ten healthy male volunteers with prior experience with psychedelics participated in 2 experimental sessions. They received a placebo or a dose of ayahuasca, a psychedelic preparation containing the serotonergic 5-HT2A agonist N,N-dimethyltryptamine. The analysis showed significant changes in the coupling of brain oscillations between anterior and posterior recording sites. Transfer entropy analysis showed that frontal sources decreased their influence over central, parietal, and occipital sites. Conversely, sources in posterior locations increased their influence over signals measured at anterior locations. Exploratory correlations found that anterior-to-posterior transfer entropy decreases were correlated with the intensity of subjective effects, while the imbalance between anterior-to-posterior and posterior-to-anterior transfer entropy correlated with the degree of incapacitation experienced. These results suggest that psychedelics induce a temporary disruption of neural hierarchies by reducing top-down control and increasing bottom-up information transfer in the human brain. © The Author 2015. Published by Oxford University Press on behalf of CINP.

The repABC plasmids with quorum-regulated transfer systems in members of the Rhizobiales divide into two structurally and separately evolving groups

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wetzel, Margaret E.; Olsen, Gary J.; Chakravartty, Vandana

The large repABC plasmids of the order Rhizobiales with Class I quorum-regulated conjugative transfer systems often define the nature of the bacterium that harbors them. These otherwise diverse plasmids contain a core of highly conserved genes for replication and conjugation raising the question of their evolutionary relationships. In an analysis of 18 such plasmids these elements fall into two organizational classes, Group I and Group II, based on the sites at which cargo DNA is located. Cladograms constructed from proteins of the transfer and quorum-sensing components indicated that those of the Group I plasmids, while coevolving, have diverged from thosemore » coevolving proteins of the Group II plasmids. Moreover, within these groups the phylogenies of the proteins usually occupy similar, if not identical, tree topologies. Remarkably, such relationships were not seen among proteins of the replication system; although RepA and RepB coevolve, RepC does not. Nor do the replication proteins coevolve with the proteins of the transfer and quorum-sensing systems. Functional analysis was mostly consistent with phylogenies. TraR activated promoters from plasmids within its group, but not between groups and dimerized with TraR proteins from within but not between groups. However, oriT sequences, which are highly conserved, were processed by the transfer system of plasmids regardless of group. Here, we conclude that these plasmids diverged into two classes based on the locations at which cargo DNA is inserted, that the quorum-sensing and transfer functions are coevolving within but not between the two groups, and that this divergent evolution extends to function.« less

Utilizing Electrical Characteristics of Individual Nanotube Devices to Study the Charge Transfer between CdSe Quantum Dots and Double-Walled Nanotubes

DOE PAGES

Zhu, Yuqi; Zhou, Ruiping; Wang, Lei; ...

2017-03-02

To study the charge transfer between cadmium selenide (CdSe) quantum dots (QDs) and double-walled nanotubes (DWNTs), various sizes of CdSe-ligand-DWNT structures are synthesized, and field-effect transistors (FETs) from individual functionalized DWNTs rather than networks of the same are fabricated. From the electrical measurements, two distinct electron transfer mechanisms from the QD system to the nanotube are identified. By the formation of the CdSe-ligand-DWNT heterostructure, an effectively n-doped nanotube is created due to the smaller work function of CdSe as compared with the nanotube. In addition, once the QD-DWNT system is exposed to laser light, further electron transfer from the QDmore » through the ligand, i.e. 4-mercaptophenol (MTH), to the nanotube occurs and a clear QD-size dependent tunneling process is observed. Furthermore, the detailed analysis of a large set of devices and the particular methodology employed here for the first time allowed for extracting a wavelength and quantum dot size dependent charge transfer efficiency – a quantity that is evaluated for the first time through electrical measurement.« less

Utilizing Electrical Characteristics of Individual Nanotube Devices to Study the Charge Transfer between CdSe Quantum Dots and Double-Walled Nanotubes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Yuqi; Zhou, Ruiping; Wang, Lei

To study the charge transfer between cadmium selenide (CdSe) quantum dots (QDs) and double-walled nanotubes (DWNTs), various sizes of CdSe-ligand-DWNT structures are synthesized, and field-effect transistors (FETs) from individual functionalized DWNTs rather than networks of the same are fabricated. From the electrical measurements, two distinct electron transfer mechanisms from the QD system to the nanotube are identified. By the formation of the CdSe-ligand-DWNT heterostructure, an effectively n-doped nanotube is created due to the smaller work function of CdSe as compared with the nanotube. In addition, once the QD-DWNT system is exposed to laser light, further electron transfer from the QDmore » through the ligand, i.e. 4-mercaptophenol (MTH), to the nanotube occurs and a clear QD-size dependent tunneling process is observed. Furthermore, the detailed analysis of a large set of devices and the particular methodology employed here for the first time allowed for extracting a wavelength and quantum dot size dependent charge transfer efficiency – a quantity that is evaluated for the first time through electrical measurement.« less

BMP delivery complements the guiding effect of scaffold architecture without altering bone microstructure in critical-sized long bone defects: A multiscale analysis.

PubMed

Cipitria, A; Wagermaier, W; Zaslansky, P; Schell, H; Reichert, J C; Fratzl, P; Hutmacher, D W; Duda, G N

2015-09-01

Scaffold architecture guides bone formation. However, in critical-sized long bone defects additional BMP-mediated osteogenic stimulation is needed to form clinically relevant volumes of new bone. The hierarchical structure of bone determines its mechanical properties. Yet, the micro- and nanostructure of BMP-mediated fast-forming bone has not been compared with slower regenerating bone without BMP. We investigated the combined effects of scaffold architecture (physical cue) and BMP stimulation (biological cue) on bone regeneration. It was hypothesized that a structured scaffold directs tissue organization through structural guidance and load transfer, while BMP stimulation accelerates bone formation without altering the microstructure at different length scales. BMP-loaded medical grade polycaprolactone-tricalcium phosphate scaffolds were implanted in 30mm tibial defects in sheep. BMP-mediated bone formation after 3 and 12 months was compared with slower bone formation with a scaffold alone after 12 months. A multiscale analysis based on microcomputed tomography, histology, polarized light microscopy, backscattered electron microscopy, small angle X-ray scattering and nanoindentation was used to characterize bone volume, collagen fiber orientation, mineral particle thickness and orientation, and local mechanical properties. Despite different observed kinetics in bone formation, similar structural properties on a microscopic and sub-micron level seem to emerge in both BMP-treated and scaffold only groups. The guiding effect of the scaffold architecture is illustrated through structural differences in bone across different regions. In the vicinity of the scaffold increased tissue organization is observed at 3 months. Loading along the long bone axis transferred through the scaffold defines bone micro- and nanostructure after 12 months. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Proton transfer in liquid water confined inside graphene slabs

NASA Astrophysics Data System (ADS)

Tahat, Amani; Martí, Jordi

2015-09-01

The microscopic structure and dynamics of an excess proton in water constrained in narrow graphene slabs between 0.7 and 3.1 nm wide has been studied by means of a series of molecular dynamics simulations. Interaction of water and carbon with the proton species was modeled using a multistate empirical valence bond Hamiltonian model. The analysis of the effects of confinement on proton solvation structure and on its dynamical properties has been considered for varying densities. The system is organized in one interfacial and a bulk-like region, both of variable size. In the widest interplate separations, the lone proton shows a marked tendency to place itself in the bulk phase of the system, due to the repulsive interaction with the carbon atoms. However, as the system is compressed and the proton is forced to move to the vicinity of graphene walls it moves closer to the interface, producing a neat enhancement of the local structure. We found a marked slowdown of proton transfer when the separation of the two graphene plates is reduced. In the case of lowest distances between graphene plates (0.7 and 0.9 nm), only one or two water layers persist and the two-dimensional character of water structure becomes evident. By means of spectroscopical analysis, we observed the persistence of Zundel and Eigen structures in all cases, although at low interplate separations a signature frequency band around 2500 cm-1 suffers a blue shift and moves to characteristic values of asymmetric hydronium ion vibrations, indicating some unstability of the typical Zundel-Eigen moieties and their eventual conversion to a single hydronium species solvated by water.

Structured analysis and modeling of complex systems

NASA Technical Reports Server (NTRS)

Strome, David R.; Dalrymple, Mathieu A.

1992-01-01

The Aircrew Evaluation Sustained Operations Performance (AESOP) facility at Brooks AFB, Texas, combines the realism of an operational environment with the control of a research laboratory. In recent studies we collected extensive data from the Airborne Warning and Control Systems (AWACS) Weapons Directors subjected to high and low workload Defensive Counter Air Scenarios. A critical and complex task in this environment involves committing a friendly fighter against a hostile fighter. Structured Analysis and Design techniques and computer modeling systems were applied to this task as tools for analyzing subject performance and workload. This technology is being transferred to the Man-Systems Division of NASA Johnson Space Center for application to complex mission related tasks, such as manipulating the Shuttle grappler arm.

Coupled multi-disciplinary composites behavior simulation

NASA Technical Reports Server (NTRS)

Singhal, Surendra N.; Murthy, Pappu L. N.; Chamis, Christos C.

1993-01-01

The capabilities of the computer code CSTEM (Coupled Structural/Thermal/Electro-Magnetic Analysis) are discussed and demonstrated. CSTEM computationally simulates the coupled response of layered multi-material composite structures subjected to simultaneous thermal, structural, vibration, acoustic, and electromagnetic loads and includes the effect of aggressive environments. The composite material behavior and structural response is determined at its various inherent scales: constituents (fiber/matrix), ply, laminate, and structural component. The thermal and mechanical properties of the constituents are considered to be nonlinearly dependent on various parameters such as temperature and moisture. The acoustic and electromagnetic properties also include dependence on vibration and electromagnetic wave frequencies, respectively. The simulation is based on a three dimensional finite element analysis in conjunction with composite mechanics and with structural tailoring codes, and with acoustic and electromagnetic analysis methods. An aircraft engine composite fan blade is selected as a typical structural component to demonstrate the CSTEM capabilities. Results of various coupled multi-disciplinary heat transfer, structural, vibration, acoustic, and electromagnetic analyses for temperature distribution, stress and displacement response, deformed shape, vibration frequencies, mode shapes, acoustic noise, and electromagnetic reflection from the fan blade are discussed for their coupled effects in hot and humid environments. Collectively, these results demonstrate the effectiveness of the CSTEM code in capturing the coupled effects on the various responses of composite structures subjected to simultaneous multiple real-life loads.

Efficient transformer for electromagnetic waves

DOEpatents

Miller, R.B.

A transformer structure for efficient transfer of electromagnetic energy from a transmission line to an unmatched load provides voltage multiplication and current division by a predetermined constant. Impedance levels are transformed by the square of that constant. The structure includes a wave splitter, connected to an input transmission device and to a plurality of output transmission devices. The output transmission devices are effectively connected in parallel to the input transmission device. The output transmission devices are effectively series connected to provide energy to a load. The transformer structure is particularly effective in increasing efficiency of energy transfer through an inverting convolute structure by capturing and transferring energy losses from the inverter to the load.

Pre-existing oblique transfer zones and transfer/transform relationships in continental margins: New insights from the southeastern Gulf of Aden, Socotra Island, Yemen

NASA Astrophysics Data System (ADS)

Bellahsen, N.; Leroy, S.; Autin, J.; Razin, P.; d'Acremont, E.; Sloan, H.; Pik, R.; Ahmed, A.; Khanbari, K.

2013-11-01

Transfer zones are ubiquitous features in continental rifts and margins, as are transform faults in oceanic lithosphere. Here, we present a structural study of the Hadibo Transfer Zone (HTZ), located in Socotra Island (Yemen) in the southeastern Gulf of Aden. There, we interpret this continental transfer fault zone to represent a reactivated pre-existing structure. Its trend is oblique to the direction of divergence and it has been active from the early up to the latest stages of rifting. One of the main oceanic fracture zones (FZ), the Hadibo-Sharbithat FZ, is aligned with and appears to be an extension of the HTZ and is probably genetically linked to it. Comparing this setting with observations from other Afro-Arabian rifts as well as with passive margins worldwide, it appears that many continental transfer zones are reactivated pre-existing structures, oblique to divergence. We therefore establish a classification system for oceanic FZ based upon their relationship with syn-rift structures. Type 1 FZ form at syn-rift structures and are late syn-rift to early syn-OCT. Type 2 FZ form during the OCT formation and Type 3 FZ form within the oceanic domain, after the oceanic spreading onset. The latter are controlled by far-field forces, magmatic processes, spreading rates, and oceanic crust rheology.

Update on Integrated Optical Design Analyzer

NASA Technical Reports Server (NTRS)

Moore, James D., Jr.; Troy, Ed

2003-01-01

Updated information on the Integrated Optical Design Analyzer (IODA) computer program has become available. IODA was described in Software for Multidisciplinary Concurrent Optical Design (MFS-31452), NASA Tech Briefs, Vol. 25, No. 10 (October 2001), page 8a. To recapitulate: IODA facilitates multidisciplinary concurrent engineering of highly precise optical instruments. The architecture of IODA was developed by reviewing design processes and software in an effort to automate design procedures. IODA significantly reduces design iteration cycle time and eliminates many potential sources of error. IODA integrates the modeling efforts of a team of experts in different disciplines (e.g., optics, structural analysis, and heat transfer) working at different locations and provides seamless fusion of data among thermal, structural, and optical models used to design an instrument. IODA is compatible with data files generated by the NASTRAN structural-analysis program and the Code V (Registered Trademark) optical-analysis program, and can be used to couple analyses performed by these two programs. IODA supports multiple-load-case analysis for quickly accomplishing trade studies. IODA can also model the transient response of an instrument under the influence of dynamic loads and disturbances.