WebLogo: A Sequence Logo Generator

PubMed Central

Crooks, Gavin E.; Hon, Gary; Chandonia, John-Marc; Brenner, Steven E.

2004-01-01

WebLogo generates sequence logos, graphical representations of the patterns within a multiple sequence alignment. Sequence logos provide a richer and more precise description of sequence similarity than consensus sequences and can rapidly reveal significant features of the alignment otherwise difficult to perceive. Each logo consists of stacks of letters, one stack for each position in the sequence. The overall height of each stack indicates the sequence conservation at that position (measured in bits), whereas the height of symbols within the stack reflects the relative frequency of the corresponding amino or nucleic acid at that position. WebLogo has been enhanced recently with additional features and options, to provide a convenient and highly configurable sequence logo generator. A command line interface and the complete, open WebLogo source code are available for local installation and customization. PMID:15173120

Quasi-particle spectrum in trilayer graphene: Role of onsite coulomb interaction and interlayer coupling

NASA Astrophysics Data System (ADS)

Kumar, Sanjay; Ajay

2015-01-01

Stacking dependent quasi-particle spectrum and density of states (DOS) in trilayer (ABC-, ABA- and AAA-stacked) graphene are analyzed using mean-field Green's function equations of motion method. Interlayer coupling (t1) is found to be responsible for the splitting of quasi-particle peaks in each stacking order. Coulomb interaction suppresses the trilayer splitting and generates a finite gap at Fermi level in ABC- while a tiny gap in ABA-stacked trilayer graphene. Influence of t⊥ is prominent for AAA-stacking as compared to ABC- and ABA-stacking orders. The theoretically obtained quasi-particle energies and DOS has been viewed in terms of recent angle resolved photoemission spectroscopic (ARPES) and scanning tunneling microscopic (STM) data available on these systems.

Effect of stacking sequence on the coefficients of mutual influence of composite laminates

NASA Astrophysics Data System (ADS)

Dupir (Hudișteanu, I.; Țăranu, N.; Axinte, A.

2016-11-01

Fiber reinforced polymeric (FRP) composites are nowadays widely used in engineering applications due to their outstanding features, such as high specific strength and specific stiffness as well as good corrosion resistance. A major advantage of fibrous polymeric composites is that their anisotropy can be controlled through suitable choice of the influencing parameters. The unidirectional fiber reinforced composites provide much higher longitudinal mechanical properties compared to the transverse ones. Therefore, composite laminates are formed by stacking two or more laminas, with different fiber orientations, as to respond to complex states of stresses. These laminates experience the effect of axial-shear coupling, which is caused by applying normal or shear stresses, implying shear or normal strains, respectively. The normal-shear coupling is expressed by the coefficients of mutual influence. They are engineering constants of primary interest for composite laminates, since the mismatch of the material properties between adjacent layers can produce interlaminar stresses and/or plies delamination. The paper presents the variation of the in-plane and flexural coefficients of mutual influence for three types of multi-layered composites, with different stacking sequences. The results are obtained using the Classical Lamination Theory (CLT) and are illustrated graphically in terms of fiber orientations, for asymmetric, antisymmetric and symmetric laminates. Conclusions are formulated on the variation of these coefficients, caused by the stacking sequence.

Polyfluorophore Labels on DNA: Dramatic Sequence Dependence of Quenching

PubMed Central

Teo, Yin Nah; Wilson, James N.

2010-01-01

We describe studies carried out in the DNA context to test how a common fluorescence quencher, dabcyl, interacts with oligodeoxynu-cleoside fluorophores (ODFs)—a system of stacked, electronically interacting fluorophores built on a DNA scaffold. We tested twenty different tetrameric ODF sequences containing varied combinations and orderings of pyrene (Y), benzopyrene (B), perylene (E), dimethylaminostilbene (D), and spacer (S) monomers conjugated to the 3′ end of a DNA oligomer. Hybridization of this probe sequence to a dabcyl-labeled complementary strand resulted in strong quenching of fluorescence in 85% of the twenty ODF sequences. The high efficiency of quenching was also established by their large Stern–Volmer constants (KSV) of between 2.1 × 104 and 4.3 × 105M−1, measured with a free dabcyl quencher. Interestingly, quenching of ODFs displayed strong sequence dependence. This was particularly evident in anagrams of ODF sequences; for example, the sequence BYDS had a KSV that was approximately two orders of magnitude greater than that of BSDY, which has the same dye composition. Other anagrams, for example EDSY and ESYD, also displayed different responses upon quenching by dabcyl. Analysis of spectra showed that apparent excimer and exciplex emission bands were quenched with much greater efficiency compared to monomer emission bands by at least an order of magnitude. This suggests an important role played by delocalized excited states of the π stack of fluorophores in the amplified quenching of fluorescence. PMID:19780115

Scale-dependent behavior of scale equations.

PubMed

Kim, Pilwon

2009-09-01

We propose a new mathematical framework to formulate scale structures of general systems. Stack equations characterize a system in terms of accumulative scales. Their behavior at each scale level is determined independently without referring to other levels. Most standard geometries in mathematics can be reformulated in such stack equations. By involving interaction between scales, we generalize stack equations into scale equations. Scale equations are capable to accommodate various behaviors at different scale levels into one integrated solution. On contrary to standard geometries, such solutions often reveal eccentric scale-dependent figures, providing a clue to understand multiscale nature of the real world. Especially, it is suggested that the Gaussian noise stems from nonlinear scale interactions.

Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer.

PubMed

Pierucci, Debora; Brumme, Thomas; Girard, Jean-Christophe; Calandra, Matteo; Silly, Mathieu G; Sirotti, Fausto; Barbier, Antoine; Mauri, Francesco; Ouerghi, Abdelkarim

2016-09-15

The transport properties of few-layer graphene are the directly result of a peculiar band structure near the Dirac point. Here, for epitaxial graphene grown on SiC, we determine the effect of charge transfer from the SiC substrate on the local density of states (LDOS) of trilayer graphene using scaning tunneling microscopy/spectroscopy and angle resolved photoemission spectroscopy (ARPES). Different spectra are observed and are attributed to the existence of two stable polytypes of trilayer: Bernal (ABA) and rhomboedreal (ABC) staking. Their electronic properties strongly depend on the charge transfer from the substrate. We show that the LDOS of ABC stacking shows an additional peak located above the Dirac point in comparison with the LDOS of ABA stacking. The observed LDOS features, reflecting the underlying symmetry of the two polytypes, were reproduced by explicit calculations within density functional theory (DFT) including the charge transfer from the substrate. These findings demonstrate the pronounced effect of stacking order and charge transfer on the electronic structure of trilayer or few layer graphene. Our approach represents a significant step toward understand the electronic properties of graphene layer under electrical field.

Breathing dynamics based parameter sensitivity analysis of hetero-polymeric DNA

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

Talukder, Srijeeta; Sen, Shrabani; Chaudhury, Pinaki, E-mail: pinakc@rediffmail.com

We study the parameter sensitivity of hetero-polymeric DNA within the purview of DNA breathing dynamics. The degree of correlation between the mean bubble size and the model parameters is estimated for this purpose for three different DNA sequences. The analysis leads us to a better understanding of the sequence dependent nature of the breathing dynamics of hetero-polymeric DNA. Out of the 14 model parameters for DNA stability in the statistical Poland-Scheraga approach, the hydrogen bond interaction ε{sub hb}(AT) for an AT base pair and the ring factor ξ turn out to be the most sensitive parameters. In addition, the stackingmore » interaction ε{sub st}(TA-TA) for an TA-TA nearest neighbor pair of base-pairs is found to be the most sensitive one among all stacking interactions. Moreover, we also establish that the nature of stacking interaction has a deciding effect on the DNA breathing dynamics, not the number of times a particular stacking interaction appears in a sequence. We show that the sensitivity analysis can be used as an effective measure to guide a stochastic optimization technique to find the kinetic rate constants related to the dynamics as opposed to the case where the rate constants are measured using the conventional unbiased way of optimization.« less

An analytical study of composite laminate lay-up using search algorithms for maximization of flexural stiffness and minimization of springback angle

NASA Astrophysics Data System (ADS)

Singh, Ranjan Kumar; Rinawa, Moti Lal

2018-04-01

The residual stresses arising in fiber-reinforced laminates during their curing in closed molds lead to changes in the composites after their removal from the molds and cooling. One of these dimensional changes of angle sections is called springback. The parameters such as lay-up, stacking sequence, material system, cure temperature, thickness etc play important role in it. In present work, it is attempted to optimize lay-up and stacking sequence for maximization of flexural stiffness and minimization of springback angle. The search algorithms are employed to obtain best sequence through repair strategy such as swap. A new search algorithm, termed as lay-up search algorithm (LSA) is also proposed, which is an extension of permutation search algorithm (PSA). The efficacy of PSA and LSA is tested on the laminates with a range of lay-ups. A computer code is developed on MATLAB implementing the above schemes. Also, the strategies for multi objective optimization using search algorithms are suggested and tested.

Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials – A general bond polarizability model

PubMed Central

Luo, Xin; Lu, Xin; Cong, Chunxiao; Yu, Ting; Xiong, Qihua; Ying Quek, Su

2015-01-01

2D layered materials have recently attracted tremendous interest due to their fascinating properties and potential applications. The interlayer interactions are much weaker than the intralayer bonds, allowing the as-synthesized materials to exhibit different stacking sequences, leading to different physical properties. Here, we show that regardless of the space group of the 2D materials, the Raman frequencies of the interlayer shear modes observed under the typical configuration blue shift for AB stacked materials, and red shift for ABC stacked materials, as the number of layers increases. Our predictions are made using an intuitive bond polarizability model which shows that stacking sequence plays a key role in determining which interlayer shear modes lead to the largest change in polarizability (Raman intensity); the modes with the largest Raman intensity determining the frequency trends. We present direct evidence for these conclusions by studying the Raman modes in few layer graphene, MoS2, MoSe2, WSe2 and Bi2Se3, using both first principles calculations and Raman spectroscopy. This study sheds light on the influence of stacking sequence on the Raman intensities of intrinsic interlayer modes in 2D layered materials in general, and leads to a practical way of identifying the stacking sequence in these materials. PMID:26469313

Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials--A general bond polarizability model.

PubMed

Luo, Xin; Lu, Xin; Cong, Chunxiao; Yu, Ting; Xiong, Qihua; Quek, Su Ying

2015-10-15

2D layered materials have recently attracted tremendous interest due to their fascinating properties and potential applications. The interlayer interactions are much weaker than the intralayer bonds, allowing the as-synthesized materials to exhibit different stacking sequences, leading to different physical properties. Here, we show that regardless of the space group of the 2D materials, the Raman frequencies of the interlayer shear modes observed under the typical z(xx)z configuration blue shift for AB stacked materials, and red shift for ABC stacked materials, as the number of layers increases. Our predictions are made using an intuitive bond polarizability model which shows that stacking sequence plays a key role in determining which interlayer shear modes lead to the largest change in polarizability (Raman intensity); the modes with the largest Raman intensity determining the frequency trends. We present direct evidence for these conclusions by studying the Raman modes in few layer graphene, MoS2, MoSe2, WSe2 and Bi2Se3, using both first principles calculations and Raman spectroscopy. This study sheds light on the influence of stacking sequence on the Raman intensities of intrinsic interlayer modes in 2D layered materials in general, and leads to a practical way of identifying the stacking sequence in these materials.

Evaluating geophysical lithology determination methods in the central offshore Nile Delta, Egypt

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

Nada, H.; Shrallow, J.

1994-12-31

Two post stack and one prestack geophysical techniques were used to extract lithology and fluid information from seismic data. The purpose of this work was to evaluate the effectiveness of such methods in helping to find more hydrocarbons and reduce exploration risk in Egypt`s Nile Delta. Amplitude Variations with Offset (AVO) was used as a direct hydrocarbon indicator. CDP gathers were sorted into common angle gathers. The angle traces from 0--10 degrees were stacked to form a near angle stack and those from 30--40 degrees were stacked to form a far angle stack. Comparison of the far and near anglemore » stacks indicate areas which have seismic responses that match gas bearing sand models in the Pliocene and Messinian. Seismic Sequence Attribute mapping was used to measure the reflectivity of a seismic sequence. The specific sequence attribute measured in this study was the Maximum Absolute Amplitude of the seismic reflections within a sequence. Post stack seismic inversion was used to convert zero phase final migrated data to pseudo acoustic impedance data to interpret lithology from seismic data. All three methods are useful in the Nile Delta for identifying sand prone areas, but only AVO can be used to detect fluid content.« less

Modelling DNA origami self-assembly at the domain level.

PubMed

Dannenberg, Frits; Dunn, Katherine E; Bath, Jonathan; Kwiatkowska, Marta; Turberfield, Andrew J; Ouldridge, Thomas E

2015-10-28

We present a modelling framework, and basic model parameterization, for the study of DNA origami folding at the level of DNA domains. Our approach is explicitly kinetic and does not assume a specific folding pathway. The binding of each staple is associated with a free-energy change that depends on staple sequence, the possibility of coaxial stacking with neighbouring domains, and the entropic cost of constraining the scaffold by inserting staple crossovers. A rigorous thermodynamic model is difficult to implement as a result of the complex, multiply connected geometry of the scaffold: we present a solution to this problem for planar origami. Coaxial stacking of helices and entropic terms, particularly when loop closure exponents are taken to be larger than those for ideal chains, introduce interactions between staples. These cooperative interactions lead to the prediction of sharp assembly transitions with notable hysteresis that are consistent with experimental observations. We show that the model reproduces the experimentally observed consequences of reducing staple concentration, accelerated cooling, and absent staples. We also present a simpler methodology that gives consistent results and can be used to study a wider range of systems including non-planar origami.

Modelling DNA origami self-assembly at the domain level

NASA Astrophysics Data System (ADS)

Dannenberg, Frits; Dunn, Katherine E.; Bath, Jonathan; Kwiatkowska, Marta; Turberfield, Andrew J.; Ouldridge, Thomas E.

2015-10-01

We present a modelling framework, and basic model parameterization, for the study of DNA origami folding at the level of DNA domains. Our approach is explicitly kinetic and does not assume a specific folding pathway. The binding of each staple is associated with a free-energy change that depends on staple sequence, the possibility of coaxial stacking with neighbouring domains, and the entropic cost of constraining the scaffold by inserting staple crossovers. A rigorous thermodynamic model is difficult to implement as a result of the complex, multiply connected geometry of the scaffold: we present a solution to this problem for planar origami. Coaxial stacking of helices and entropic terms, particularly when loop closure exponents are taken to be larger than those for ideal chains, introduce interactions between staples. These cooperative interactions lead to the prediction of sharp assembly transitions with notable hysteresis that are consistent with experimental observations. We show that the model reproduces the experimentally observed consequences of reducing staple concentration, accelerated cooling, and absent staples. We also present a simpler methodology that gives consistent results and can be used to study a wider range of systems including non-planar origami.

The role of the cubic structure in freezing of a supercooled water droplet on an ice substrate

NASA Astrophysics Data System (ADS)

Takahashi, T.; Kobayashi, T.

1983-12-01

The possibility of the formation of a metastable cubic (diamond) structure and its role in freezing of a supercooled water droplet on an ice substrate are discussed in terms of two-dimensional nucleation. The mode of stacking sequence of new layers formed by two-dimensional nucleation is divided into single and multi-nucleation according to the degree of supercooling and to the size of the supercooled droplet. In the case of single nucleation a frozen droplet develops into a complete hexagonal single crystal or an optically single crystal (containing discontinuous stacking faults). In the case of multi-nucleation attention is paid to the size effect and the stacking direction of the nucleus to calculate the waiting time in the nucleation. Then the frozen droplets are crystallographically divided into three categories: completely single crystals, optically single crystals (containing a small cubic structure, i.e. stacking faults) and polycrystals with a misorientation of 70.53° between the c-axes.

Theoretical investigation of structural and optical properties of semi-fluorinated bilayer graphene

NASA Astrophysics Data System (ADS)

Xiao-Jiao, San; Bai, Han; Jing-Geng, Zhao

2016-03-01

We have studied the structural and optical properties of semi-fluorinated bilayer graphene using density functional theory. When the interlayer distance is 1.62 Å, the two graphene layers in AA stacking can form strong chemical bonds. Under an in-plane stress of 6.8 GPa, this semi-fluorinated bilayer graphene becomes the energy minimum. Our calculations indicate that the semi-fluorinated bilayer graphene with the AA stacking sequence and rectangular fluorinated configuration is a nonmagnetic semiconductor (direct gap of 3.46 eV). The electronic behavior at the vicinity of the Fermi level is mainly contributed by the p electrons of carbon atoms forming C=C double bonds. We compare the optical properties of the semi-fluorinated bilayer graphene with those of bilayer graphene stacked in the AA sequence and find that the semi-fluorinated bilayer graphene is anisotropic for the polarization vector on the basal plane of graphene and a red shift occurs in the [010] polarization, which makes the peak at the low-frequency region located within visible light. This investigation is useful to design polarization-dependence optoelectronic devices. Project supported by the Program of Educational Commission of Heilongjiang Province, China (Grant No. 12541131).

Role of stacking disorder in ice nucleation

NASA Astrophysics Data System (ADS)

Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H.; Molinero, Valeria

2017-11-01

The freezing of water affects the processes that determine Earth’s climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

Role of stacking disorder in ice nucleation.

PubMed

Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H; Molinero, Valeria

2017-11-08

The freezing of water affects the processes that determine Earth's climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

Fabrication of a white electroluminescent device based on bilayered yellow and blue quantum dots

NASA Astrophysics Data System (ADS)

Kim, Jong-Hoon; Lee, Ki-Heon; Kang, Hee-Don; Park, Byoungnam; Hwang, Jun Yeon; Jang, Ho Seong; Do, Young Rag; Yang, Heesun

2015-03-01

Until now most work on colloidal quantum dot-light-emitting diodes (QLEDs) has been focused on the improvement of the electroluminescent (EL) performance of monochromatic devices, and multi-colored white QLEDs comprising more than one type of QD emitter have been rarely investigated. To demonstrate a white EL as a result of color mixing between blue and yellow, herein a unique combination of two dissimilar QDs of blue- CdZnS/ZnS plus a yellow-emitting Cu-In-S (CIS)/ZnS is used for the formation of the emitting layer (EML) of a multilayered QLED. First, the QLED consisting of a single EML randomly mixed with two QDs is fabricated, however, its EL is dominated by blue emission with the contribution of yellow emission substantially weaker. Thus, another EML configuration is devised in the form of a QD bilayer with two stacking sequences of CdZnS/ZnS//CIS/ZnS QD and vice versa. The QLED with the former stacking sequence shows an overwhelming contribution of blue EL, similar to the mixed QD EML-based device. Upon applying the oppositely stacked QD bilayer of CIS/ZnS//CdZnS/ZnS, however, a bicolored white EL can be successfully achieved by means of the effective extension of the radiative excitonic recombination zone throughout both QD EML regions. Such QD EML configuration-dependent EL results, which are discussed primarily using the proposed device energy level diagram, strongly suggest that the positional design of individual QD emitters is a critical factor for the realization of multicolored, white emissive devices.Until now most work on colloidal quantum dot-light-emitting diodes (QLEDs) has been focused on the improvement of the electroluminescent (EL) performance of monochromatic devices, and multi-colored white QLEDs comprising more than one type of QD emitter have been rarely investigated. To demonstrate a white EL as a result of color mixing between blue and yellow, herein a unique combination of two dissimilar QDs of blue- CdZnS/ZnS plus a yellow-emitting Cu-In-S (CIS)/ZnS is used for the formation of the emitting layer (EML) of a multilayered QLED. First, the QLED consisting of a single EML randomly mixed with two QDs is fabricated, however, its EL is dominated by blue emission with the contribution of yellow emission substantially weaker. Thus, another EML configuration is devised in the form of a QD bilayer with two stacking sequences of CdZnS/ZnS//CIS/ZnS QD and vice versa. The QLED with the former stacking sequence shows an overwhelming contribution of blue EL, similar to the mixed QD EML-based device. Upon applying the oppositely stacked QD bilayer of CIS/ZnS//CdZnS/ZnS, however, a bicolored white EL can be successfully achieved by means of the effective extension of the radiative excitonic recombination zone throughout both QD EML regions. Such QD EML configuration-dependent EL results, which are discussed primarily using the proposed device energy level diagram, strongly suggest that the positional design of individual QD emitters is a critical factor for the realization of multicolored, white emissive devices. Electronic supplementary information (ESI) available: Detailed description of synthesis of CdZnS/ZnS, CIS/ZnS QDs and ZnO NPs; TEM images of CdZnS/ZnS and CIS/ZnS QDs; voltage-dependent luminance (CE variations of blue CdZnS/ZnS and yellow CIS/ZnS monochromatic QLEDs; EL spectra and energy band diagram of bilayered QD EML-based QLED with a stacking sequence of CdZnS/ZnS//CIS/ZnS QD; normalized EL spectra of CIS/ZnS//CdZnS/ZnS QD-bilayered QLEDs; comparison of current density of monochromatic QLEDs and bicolored white QLEDs; and voltage-dependent luminance (CE variations of CIS/ZnS QLED fabricated through 150 °C-EML baking. See DOI: 10.1039/c5nr00426h

Molecular basis for insulin fibril assembly

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

Ivanova, Magdalena I.; Sievers, Stuart A.; Sawaya, Michael R.

2009-12-01

In the rare medical condition termed injection amyloidosis, extracellular fibrils of insulin are observed. We found that the segment of the insulin B-chain with sequence LVEALYL is the smallest segment that both nucleates and inhibits the fibrillation of full-length insulin in a molar ratio-dependent manner, suggesting that this segment is central to the cross-{beta} spine of the insulin fibril. In isolation from the rest of the protein, LVEALYL forms microcrystalline aggregates with fibrillar morphology, the structure of which we determined to 1 {angstrom} resolution. The LVEALYL segments are stacked into pairs of tightly interdigitated {beta}-sheets, each pair displaying the drymore » steric zipper interface typical of amyloid-like fibrils. This structure leads to a model for fibrils of human insulin consistent with electron microscopic, x-ray fiber diffraction, and biochemical studies.« less

Influence of Stacking Sequence and Notch Angle on the Charpy Impact Behavior of Hybrid Composites

NASA Astrophysics Data System (ADS)

Behnia, S.; Daghigh, V.; Nikbin, K.; Fereidoon, A.; Ghorbani, J.

2016-09-01

The low-velocity impact behavior of hybrid composite laminates was investigated. The epoxy matrix was reinforced with aramid, glass, basalt, and carbon fabrics using the hand lay-up technique. Different stacking sequences and notch angles were and notch angles considered and tested using a Charpy impact testing machine to study the hybridization and notch angle effects on the impact response of the hybrid composites. The energy absorption capability of specimens with different stacking sequences and notch angles is compared and discussed. It is shown that the hybridization can enhance the mechanical performance of composite materials.

Dynamics-based Nondestructive Structural Monitoring Teclrniques

DTIC Science & Technology

2012-05-21

plate made from AS4/8552-2 carbon epoxy prepregs . The layup sequence: was [(0/45/90/-45)S]2 as illustrated in Figure 3.37. Each layer had the...at Penn State. Hexcel AS4/8552 unidirectional carbon/epoxy prepregs were used in the fabrication as raw materials. The prepregs were cut in pieces...with different fiber orientations and 132 stacked together following different stacking sequences. The stacked prepregs then went into a vacuum

Dynamics-based Nondestructive Structural Monitoring Techniques

DTIC Science & Technology

2012-06-21

made from AS4/8552-2 carbon epoxy prepregs . The layup sequence: was [(0/45/90/-45)S]2 as illustrated in Figure 3.37. Each layer had the thickness of...using facilities available at Penn State. Hexcel AS4/8552 unidirectional carbon/epoxy prepregs were used in the fabrication as raw materials. The... prepregs were cut in pieces with different fiber orientations and 132 stacked together following different stacking sequences. The stacked prepregs

Sequence stratigraphy and reservoir architecture of the J18/20 and J15 sequences in PM-9, Malay Basin

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

Rahman, R.A.; Said, Md.J.; Bedingfield, J.R.

1994-07-01

The group J stratigraphic interval is lower Miocene (18.5-21 Ma) in age and was deposited during the early sag phase of the Malay Basin structural development. Reduction in depositional relief and first evidence of widespread marine influence characterize the transition into this interval. Twelve group J sequences have been identified. Reservoirs consist of progradational to aggradational tidally-dominated paralic to shallow marine sands deposited in the lowstand systems tract. Transgressive and highstand deposits are dominantly offshore shales. In PM-9, the original lift-related depocenters, coupled with changes in relative sea level, have strongly influenced group J unit thickness and the distribution ofmore » reservoir and seal facies. Two important reservoir intervals in PM-9 are the J18/20 and J15 sands. The reservoirs in these intervals are contained within the lowstand systems tracts of fourth-order sequences. These fourth-order sequences stack to form sequence sets in response to a third-order change in relative sea level. The sequences of the J18/20 interval stack to form part of a lowstand sequence set, whereas the J15 interval forms part of the transgressive sequence set. Reservoir facies range from tidal bars and subtidal shoals in the J18/20 interval to lower shoreface sands in the J15. Reservoir quality and continuity in group J reservoirs are dependent on depositional facies. An understanding of the controls on the distribution of facies types is crucial to the success of the current phase of field development and exploration programs in PM-9.« less

Stacking sequence and interlayer coupling in few-layer graphene revealed by in situ imaging

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

Wang, Zhu-Jun; Dong, Jichen; Cui, Yi

In the transition from graphene to graphite, the addition of each individual graphene layer modifies the electronic structure and produces a different material with unique properties. Controlled growth of few-layer graphene is therefore of fundamental interest and will provide access to materials with engineered electronic structure. Here we combine isothermal growth and etching experiments with in situ scanning electron microscopy to reveal the stacking sequence and interlayer coupling strength in few-layer graphene. The observed layer-dependent etching rates reveal the relative strength of the graphene graphene and graphene substrate interaction and the resulting mode of adlayer growth. Scanning tunnelling microscopy andmore » density functional theory calculations confirm a strong coupling between graphene edge atoms and platinum. Simulated etching confirms that etching can be viewed as reversed growth. This work demonstrates that real-time imaging under controlled atmosphere is a powerful method for designing synthesis protocols for sp2 carbon nanostructures in between graphene and graphite.« less

Stacking sequence and interlayer coupling in few-layer graphene revealed by in situ imaging

DOE PAGES

Wang, Zhu-Jun; Dong, Jichen; Cui, Yi; ...

2016-10-19

In the transition from graphene to graphite, the addition of each individual graphene layer modifies the electronic structure and produces a different material with unique properties. Controlled growth of few-layer graphene is therefore of fundamental interest and will provide access to materials with engineered electronic structure. Here we combine isothermal growth and etching experiments with in situ scanning electron microscopy to reveal the stacking sequence and interlayer coupling strength in few-layer graphene. The observed layer-dependent etching rates reveal the relative strength of the graphene graphene and graphene substrate interaction and the resulting mode of adlayer growth. Scanning tunnelling microscopy andmore » density functional theory calculations confirm a strong coupling between graphene edge atoms and platinum. Simulated etching confirms that etching can be viewed as reversed growth. This work demonstrates that real-time imaging under controlled atmosphere is a powerful method for designing synthesis protocols for sp2 carbon nanostructures in between graphene and graphite.« less

Stacking sequence and interlayer coupling in few-layer graphene revealed by in situ imaging

PubMed Central

Wang, Zhu-Jun; Dong, Jichen; Cui, Yi; Eres, Gyula; Timpe, Olaf; Fu, Qiang; Ding, Feng; Schloegl, R.; Willinger, Marc-Georg

2016-01-01

In the transition from graphene to graphite, the addition of each individual graphene layer modifies the electronic structure and produces a different material with unique properties. Controlled growth of few-layer graphene is therefore of fundamental interest and will provide access to materials with engineered electronic structure. Here we combine isothermal growth and etching experiments with in situ scanning electron microscopy to reveal the stacking sequence and interlayer coupling strength in few-layer graphene. The observed layer-dependent etching rates reveal the relative strength of the graphene–graphene and graphene–substrate interaction and the resulting mode of adlayer growth. Scanning tunnelling microscopy and density functional theory calculations confirm a strong coupling between graphene edge atoms and platinum. Simulated etching confirms that etching can be viewed as reversed growth. This work demonstrates that real-time imaging under controlled atmosphere is a powerful method for designing synthesis protocols for sp2 carbon nanostructures in between graphene and graphite. PMID:27759024

MSuPDA: A Memory Efficient Algorithm for Sequence Alignment.

PubMed

Khan, Mohammad Ibrahim; Kamal, Md Sarwar; Chowdhury, Linkon

2016-03-01

Space complexity is a million dollar question in DNA sequence alignments. In this regard, memory saving under pushdown automata can help to reduce the occupied spaces in computer memory. Our proposed process is that anchor seed (AS) will be selected from given data set of nucleotide base pairs for local sequence alignment. Quick splitting techniques will separate the AS from all the DNA genome segments. Selected AS will be placed to pushdown automata's (PDA) input unit. Whole DNA genome segments will be placed into PDA's stack. AS from input unit will be matched with the DNA genome segments from stack of PDA. Match, mismatch and indel of nucleotides will be popped from the stack under the control unit of pushdown automata. During the POP operation on stack, it will free the memory cell occupied by the nucleotide base pair.

Application of preconditioned alternating direction method of multipliers in depth from focal stack

NASA Astrophysics Data System (ADS)

Javidnia, Hossein; Corcoran, Peter

2018-03-01

Postcapture refocusing effect in smartphone cameras is achievable using focal stacks. However, the accuracy of this effect is totally dependent on the combination of the depth layers in the stack. The accuracy of the extended depth of field effect in this application can be improved significantly by computing an accurate depth map, which has been an open issue for decades. To tackle this issue, a framework is proposed based on a preconditioned alternating direction method of multipliers for depth from the focal stack and synthetic defocus application. In addition to its ability to provide high structural accuracy, the optimization function of the proposed framework can, in fact, converge faster and better than state-of-the-art methods. The qualitative evaluation has been done on 21 sets of focal stacks and the optimization function has been compared against five other methods. Later, 10 light field image sets have been transformed into focal stacks for quantitative evaluation purposes. Preliminary results indicate that the proposed framework has a better performance in terms of structural accuracy and optimization in comparison to the current state-of-the-art methods.

Two-level optimization of composite wing structures based on panel genetic optimization

NASA Astrophysics Data System (ADS)

Liu, Boyang

The design of complex composite structures used in aerospace or automotive vehicles presents a major challenge in terms of computational cost. Discrete choices for ply thicknesses and ply angles leads to a combinatorial optimization problem that is too expensive to solve with presently available computational resources. We developed the following methodology for handling this problem for wing structural design: we used a two-level optimization approach with response-surface approximations to optimize panel failure loads for the upper-level wing optimization. We tailored efficient permutation genetic algorithms to the panel stacking sequence design on the lower level. We also developed approach for improving continuity of ply stacking sequences among adjacent panels. The decomposition approach led to a lower-level optimization of stacking sequence with a given number of plies in each orientation. An efficient permutation genetic algorithm (GA) was developed for handling this problem. We demonstrated through examples that the permutation GAs are more efficient for stacking sequence optimization than a standard GA. Repair strategies for standard GA and the permutation GAs for dealing with constraints were also developed. The repair strategies can significantly reduce computation costs for both standard GA and permutation GA. A two-level optimization procedure for composite wing design subject to strength and buckling constraints is presented. At wing-level design, continuous optimization of ply thicknesses with orientations of 0°, 90°, and +/-45° is performed to minimize weight. At the panel level, the number of plies of each orientation (rounded to integers) and inplane loads are specified, and a permutation genetic algorithm is used to optimize the stacking sequence. The process begins with many panel genetic optimizations for a range of loads and numbers of plies of each orientation. Next, a cubic polynomial response surface is fitted to the optimum buckling load. The resulting response surface is used for wing-level optimization. In general, complex composite structures consist of several laminates. A common problem in the design of such structures is that some plies in the adjacent laminates terminate in the boundary between the laminates. These discontinuities may cause stress concentrations and may increase manufacturing difficulty and cost. We developed measures of continuity of two adjacent laminates. We studied tradeoffs between weight and continuity through a simple composite wing design. Finally, we compared the two-level optimization to a single-level optimization based on flexural lamination parameters. The single-level optimization is efficient and feasible for a wing consisting of unstiffened panels.

Polytypism in the ground state structure of the Lennard-Jonesium.

PubMed

Pártay, Lívia B; Ortner, Christoph; Bartók, Albert P; Pickard, Chris J; Csányi, Gábor

2017-07-26

We present a systematic study of the stability of nineteen different periodic structures using the finite range Lennard-Jones potential model discussing the effects of pressure, potential truncation, cutoff distance and Lennard-Jones exponents. The structures considered are the hexagonal close packed (hcp), face centred cubic (fcc) and seventeen other polytype stacking sequences, such as dhcp and 9R. We found that at certain pressure and cutoff distance values, neither fcc nor hcp is the ground state structure as previously documented, but different polytypic sequences. This behaviour shows a strong dependence on the way the tail of the potential is truncated.

MSuPDA: A memory efficient algorithm for sequence alignment.

PubMed

Khan, Mohammad Ibrahim; Kamal, Md Sarwar; Chowdhury, Linkon

2015-01-16

Space complexity is a million dollar question in DNA sequence alignments. In this regards, MSuPDA (Memory Saving under Pushdown Automata) can help to reduce the occupied spaces in computer memory. Our proposed process is that Anchor Seed (AS) will be selected from given data set of Nucleotides base pairs for local sequence alignment. Quick Splitting (QS) techniques will separate the Anchor Seed from all the DNA genome segments. Selected Anchor Seed will be placed to pushdown Automata's (PDA) input unit. Whole DNA genome segments will be placed into PDA's stack. Anchor Seed from input unit will be matched with the DNA genome segments from stack of PDA. Whatever matches, mismatches or Indel, of Nucleotides will be POP from the stack under the control of control unit of Pushdown Automata. During the POP operation on stack it will free the memory cell occupied by the Nucleotide base pair.

A trait stacking system via intra-genomic homologous recombination.

PubMed

Kumar, Sandeep; Worden, Andrew; Novak, Stephen; Lee, Ryan; Petolino, Joseph F

2016-11-01

A gene targeting method has been developed, which allows the conversion of 'breeding stacks', containing unlinked transgenes into a 'molecular stack' and thereby circumventing the breeding challenges associated with transgene segregation. A gene targeting method has been developed for converting two unlinked trait loci into a single locus transgene stack. The method utilizes intra-genomic homologous recombination (IGHR) between stably integrated target and donor loci which share sequence homology and nuclease cleavage sites whereby the donor contains a promoterless herbicide resistance transgene. Upon crossing with a zinc finger nuclease (ZFN)-expressing plant, double-strand breaks (DSB) are created in both the stably integrated target and donor loci. DSBs flanking the donor locus result in intra-genomic mobilization of a promoterless selectable marker-containing donor sequence, which can be utilized as a template for homology-directed repair of a concomitant DSB at the target locus resulting in a functional selectable marker via nuclease-mediated cassette exchange (NMCE). The method was successfully demonstrated in maize using a glyphosate tolerance gene as a donor whereby up to 3.3 % of the resulting progeny embryos cultured on selection medium regenerated plants with the donor sequence integrated into the target locus. The process could be extended to multiple cycles of trait stacking by virtue of a unique intron sequence homology for NMCE between the target and the donor loci. This is the first report that describes NMCE via IGHR, thereby enabling trait stacking using conventional crossing.

A method to determine fault vectors in 4H-SiC from stacking sequences observed on high resolution transmission electron microscopy images

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

Wu, Fangzhen; Wang, Huanhuan; Raghothamachar, Balaji

A new method has been developed to determine the fault vectors associated with stacking faults in 4H-SiC from their stacking sequences observed on high resolution TEM images. This method, analogous to the Burgers circuit technique for determination of dislocation Burgers vector, involves determination of the vectors required in the projection of the perfect lattice to correct the deviated path constructed in the faulted material. Results for several different stacking faults were compared with fault vectors determined from X-ray topographic contrast analysis and were found to be consistent. This technique is expected to applicable to all structures comprising corner shared tetrahedra.

Effect of stacking sequence and surface treatment on the thermal conductivity of multilayered hybrid nano-composites

NASA Astrophysics Data System (ADS)

Papanicolaou, G. C.; Pappa, E. J.; Portan, D. V.; Kotrotsos, A.; Kollia, E.

2018-02-01

The aim of the present investigation was to study the effect of both the stacking sequence and surface treatment on the thermal conductivity of multilayered hybrid nano-composites. Four types of multilayered hybrid nanocomposites were manufactured and tested: Nitinol- CNTs (carbon nanotubes)- Acrylic resin; Nitinol- Acrylic resin- CNTs; Surface treated Nitinol- CNTs- Acrylic resin and Surface treated Nitinol- Acrylic resin- CNTs. Surface treatment of Nitinol plies was realized by means of the electrochemical anodization. Surface topography of the anodized nitinol sheets was investigated through Scanning Electron Microscopy (SEM). It was found that the overall thermal response of the manufactured multilayered nano-composites was greatly influenced by both the anodization and the stacking sequence. A theoretical model for the prediction of the overall thermal conductivity has been developed considering the nature of the different layers, their stacking sequence as well as the interfacial thermal resistance. Thermal conductivity and Differential Scanning Calorimetry (DSC) measurements were conducted, to verify the predicted by the model overall thermal conductivities. In all cases, a good agreement between theoretical predictions and experimental results was found.

Accurate Prediction of Protein Contact Maps by Coupling Residual Two-Dimensional Bidirectional Long Short-Term Memory with Convolutional Neural Networks.

PubMed

Hanson, Jack; Paliwal, Kuldip; Litfin, Thomas; Yang, Yuedong; Zhou, Yaoqi

2018-06-19

Accurate prediction of a protein contact map depends greatly on capturing as much contextual information as possible from surrounding residues for a target residue pair. Recently, ultra-deep residual convolutional networks were found to be state-of-the-art in the latest Critical Assessment of Structure Prediction techniques (CASP12, (Schaarschmidt et al., 2018)) for protein contact map prediction by attempting to provide a protein-wide context at each residue pair. Recurrent neural networks have seen great success in recent protein residue classification problems due to their ability to propagate information through long protein sequences, especially Long Short-Term Memory (LSTM) cells. Here we propose a novel protein contact map prediction method by stacking residual convolutional networks with two-dimensional residual bidirectional recurrent LSTM networks, and using both one-dimensional sequence-based and two-dimensional evolutionary coupling-based information. We show that the proposed method achieves a robust performance over validation and independent test sets with the Area Under the receiver operating characteristic Curve (AUC)>0.95 in all tests. When compared to several state-of-the-art methods for independent testing of 228 proteins, the method yields an AUC value of 0.958, whereas the next-best method obtains an AUC of 0.909. More importantly, the improvement is over contacts at all sequence-position separations. Specifically, a 8.95%, 5.65% and 2.84% increase in precision were observed for the top L∕10 predictions over the next best for short, medium and long-range contacts, respectively. This confirms the usefulness of ResNets to congregate the short-range relations and 2D-BRLSTM to propagate the long-range dependencies throughout the entire protein contact map 'image'. SPOT-Contact server url: http://sparks-lab.org/jack/server/SPOT-Contact/. Supplementary data is available at Bioinformatics online.

Protein Solvent-Accessibility Prediction by a Stacked Deep Bidirectional Recurrent Neural Network.

PubMed

Zhang, Buzhong; Li, Linqing; Lü, Qiang

2018-05-25

Residue solvent accessibility is closely related to the spatial arrangement and packing of residues. Predicting the solvent accessibility of a protein is an important step to understand its structure and function. In this work, we present a deep learning method to predict residue solvent accessibility, which is based on a stacked deep bidirectional recurrent neural network applied to sequence profiles. To capture more long-range sequence information, a merging operator was proposed when bidirectional information from hidden nodes was merged for outputs. Three types of merging operators were used in our improved model, with a long short-term memory network performing as a hidden computing node. The trained database was constructed from 7361 proteins extracted from the PISCES server using a cut-off of 25% sequence identity. Sequence-derived features including position-specific scoring matrix, physical properties, physicochemical characteristics, conservation score and protein coding were used to represent a residue. Using this method, predictive values of continuous relative solvent-accessible area were obtained, and then, these values were transformed into binary states with predefined thresholds. Our experimental results showed that our deep learning method improved prediction quality relative to current methods, with mean absolute error and Pearson's correlation coefficient values of 8.8% and 74.8%, respectively, on the CB502 dataset and 8.2% and 78%, respectively, on the Manesh215 dataset.

Scaling of energy absorbing composite plates

NASA Technical Reports Server (NTRS)

Jackson, Karen; Lavoie, J. Andre; Morton, John

1994-01-01

The energy absorption response and crushing characteristics of geometrically scaled graphite-Kevlar epoxy composite plates were investigated. Two different trigger mechanisms including notch, and steeple geometries were incorporated into the plate specimens to initiate crushing. Sustained crushing was achieved with a new test fixture which provided lateral support to prevent global buckling. Values of specific sustained crushing stress (SSCS) were obtained which were lower than values reported for tube specimens from previously published data. Two sizes of hybrid plates were fabricated; a baseline or model plate, and a full-scale plate with inplane dimensions scaled by a factor of two. The thickness dimension of the full-scale plates was increased using two different techniques: the ply-level method in which each ply orientation in the baseline laminate stacking sequence is doubled, and the sublaminate technique in which the baseline laminate stacking sequence is repeated as a group. Results indicated that the SSCS has a small dependence on trigger mechanism geometry. However, a reduction in the SSCS of 10-25% was observed for the full-scale plates as compared with the baseline specimens, indicating a scaling effect in the crushing response.

Comparison between semiconducting and oxide layers as a reflection layer in spin-valve films

NASA Astrophysics Data System (ADS)

Dinia, A.; Schmerber, G.; Ulhaq, C.

2003-07-01

It is well established that appropriate oxide capping is effective in forming nano-oxide layers (NOL) in spin-valve films for specular enhancement of giant magnetoresistance (GMR) effect. However, the beneficial effect of a NOL is strongly dependent on its process of formation. Therefore, we are interested to use a nano-semiconducting layer (NSL) for specular reflection instead of oxide layers because its achievement is easier since no specific growth conditions are needed. Moreover, we intend to compare the efficiency of the electronic confinement inside the spin valve induced either by NSL or NOLs for structures with the same stack. We have prepared hard-soft spin valve structures by sputtering on glass substrates with the following stacking sequence: Fe6 nm/Cu3 nm/CoFe1.8 nmRu0.8 nmCoFe3 nmCu2 nmRu2 nm. The reflecting layers have been inserted in the middle of the Fe soft layer and on the top of the spin valve. The GMR effect is enhanced by 60% and 75% respectively for the NSL and the NOL. This shows that the NOL is more efficient in term of electronic confinement. To understand the origin of the difference between the NOL and NSL magnetization measurements as well as transmission electron microscopy are presented.

E-motif formed by extrahelical cytosine bases in DNA homoduplexes of trinucleotide and hexanucleotide repeats

PubMed Central

Pan, Feng; Zhang, Yuan; Man, Viet Hoang; Roland, Christopher

2018-01-01

Abstract Atypical DNA secondary structures play an important role in expandable trinucleotide repeat (TR) and hexanucleotide repeat (HR) diseases. The cytosine mismatches in C-rich homoduplexes and hairpin stems are weakly bonded; experiments show that for certain sequences these may flip out of the helix core, forming an unusual structure termed an ‘e-motif’. We have performed molecular dynamics simulations of C-rich TR and HR DNA homoduplexes in order to characterize the conformations, stability and dynamics of formation of the e-motif, where the mismatched cytosines symmetrically flip out in the minor groove, pointing their base moieties towards the 5′-direction in each strand. TRs have two non-equivalent reading frames, (GCC)n and (CCG)n; while HRs have three: (CCCGGC)n, (CGGCCC)n, (CCCCGG)n. We define three types of pseudo basepair steps related to the mismatches and show that the e-motif is only stable in (GCC)n and (CCCGGC)n homoduplexes due to the favorable stacking of pseudo GpC steps (whose nature depends on whether TRs or HRs are involved) and the formation of hydrogen bonds between the mismatched cytosine at position i and the cytosine (TRs) or guanine (HRs) at position i − 2 along the same strand. We also characterize the extended e-motif, where all mismatched cytosines are extruded, their extra-helical stacking additionally stabilizing the homoduplexes. PMID:29190385

Stability of Solutions to Classes of Traveling Salesman Problems.

PubMed

Niendorf, Moritz; Kabamba, Pierre T; Girard, Anouck R

2016-04-01

By performing stability analysis on an optimal tour for problems belonging to classes of the traveling salesman problem (TSP), this paper derives margins of optimality for a solution with respect to disturbances in the problem data. Specifically, we consider the asymmetric sequence-dependent TSP, where the sequence dependence is driven by the dynamics of a stack. This is a generalization of the symmetric non sequence-dependent version of the TSP. Furthermore, we also consider the symmetric sequence-dependent variant and the asymmetric non sequence-dependent variant. Amongst others these problems have applications in logistics and unmanned aircraft mission planning. Changing external conditions such as traffic or weather may alter task costs, which can render an initially optimal itinerary suboptimal. Instead of optimizing the itinerary every time task costs change, stability criteria allow for fast evaluation of whether itineraries remain optimal. This paper develops a method to compute stability regions for the best tour in a set of tours for the symmetric TSP and extends the results to the asymmetric problem as well as their sequence-dependent counterparts. As the TSP is NP-hard, heuristic methods are frequently used to solve it. The presented approach is also applicable to analyze stability regions for a tour obtained through application of the k -opt heuristic with respect to the k -neighborhood. A dimensionless criticality metric for edges is proposed, such that a high criticality of an edge indicates that the optimal tour is more susceptible to cost changes in that edge. Multiple examples demonstrate the application of the developed stability computation method as well as the edge criticality measure that facilitates an intuitive assessment of instances of the TSP.

Synaptic behaviors of thin-film transistor with a Pt/HfO x /n-type indium-gallium-zinc oxide gate stack.

PubMed

Yang, Paul; Park, Daehoon; Beom, Keonwon; Kim, Hyung Jun; Kang, Chi Jung; Yoon, Tae-Sik

2018-07-20

We report a variety of synaptic behaviors in a thin-film transistor (TFT) with a metal-oxide-semiconductor gate stack that has a Pt/HfO x /n-type indium-gallium-zinc oxide (n-IGZO) structure. The three-terminal synaptic TFT exhibits a tunable synaptic weight with a drain current modulation upon repeated application of gate and drain voltages. The synaptic weight modulation is analog, voltage-polarity dependent reversible, and strong with a dynamic range of multiple orders of magnitude (>10 4 ). This modulation process emulates biological synaptic potentiation, depression, excitatory-postsynaptic current, paired-pulse facilitation, and short-term to long-term memory transition behaviors as a result of repeated pulsing with respect to the pulse amplitude, width, repetition number, and the interval between pulses. These synaptic behaviors are interpreted based on the changes in the capacitance of the Pt/HfO x /n-IGZO gate stack, the channel mobility, and the threshold voltage that result from the redistribution of oxygen ions by the applied gate voltage. These results demonstrate the potential of this structure for three-terminal synaptic transistor using the gate stack composed of the HfO x gate insulator and the IGZO channel layer.

Synaptic behaviors of thin-film transistor with a Pt/HfO x /n-type indium–gallium–zinc oxide gate stack

NASA Astrophysics Data System (ADS)

Yang, Paul; Park, Daehoon; Beom, Keonwon; Kim, Hyung Jun; Kang, Chi Jung; Yoon, Tae-Sik

2018-07-01

We report a variety of synaptic behaviors in a thin-film transistor (TFT) with a metal-oxide-semiconductor gate stack that has a Pt/HfO x /n-type indium–gallium–zinc oxide (n-IGZO) structure. The three-terminal synaptic TFT exhibits a tunable synaptic weight with a drain current modulation upon repeated application of gate and drain voltages. The synaptic weight modulation is analog, voltage-polarity dependent reversible, and strong with a dynamic range of multiple orders of magnitude (>104). This modulation process emulates biological synaptic potentiation, depression, excitatory-postsynaptic current, paired-pulse facilitation, and short-term to long-term memory transition behaviors as a result of repeated pulsing with respect to the pulse amplitude, width, repetition number, and the interval between pulses. These synaptic behaviors are interpreted based on the changes in the capacitance of the Pt/HfO x /n-IGZO gate stack, the channel mobility, and the threshold voltage that result from the redistribution of oxygen ions by the applied gate voltage. These results demonstrate the potential of this structure for three-terminal synaptic transistor using the gate stack composed of the HfO x gate insulator and the IGZO channel layer.

CodonLogo: a sequence logo-based viewer for codon patterns.

PubMed

Sharma, Virag; Murphy, David P; Provan, Gregory; Baranov, Pavel V

2012-07-15

Conserved patterns across a multiple sequence alignment can be visualized by generating sequence logos. Sequence logos show each column in the alignment as stacks of symbol(s) where the height of a stack is proportional to its informational content, whereas the height of each symbol within the stack is proportional to its frequency in the column. Sequence logos use symbols of either nucleotide or amino acid alphabets. However, certain regulatory signals in messenger RNA (mRNA) act as combinations of codons. Yet no tool is available for visualization of conserved codon patterns. We present the first application which allows visualization of conserved regions in a multiple sequence alignment in the context of codons. CodonLogo is based on WebLogo3 and uses the same heuristics but treats codons as inseparable units of a 64-letter alphabet. CodonLogo can discriminate patterns of codon conservation from patterns of nucleotide conservation that appear indistinguishable in standard sequence logos. The CodonLogo source code and its implementation (in a local version of the Galaxy Browser) are available at http://recode.ucc.ie/CodonLogo and through the Galaxy Tool Shed at http://toolshed.g2.bx.psu.edu/.

USPIO-enhanced 3D-cine self-gated cardiac MRI based on a stack-of-stars golden angle short echo time sequence: Application on mice with acute myocardial infarction.

PubMed

Trotier, Aurélien J; Castets, Charles R; Lefrançois, William; Ribot, Emeline J; Franconi, Jean-Michel; Thiaudière, Eric; Miraux, Sylvain

2016-08-01

To develop and assess a 3D-cine self-gated method for cardiac imaging of murine models. A 3D stack-of-stars (SOS) short echo time (STE) sequence with a navigator echo was performed at 7T on healthy mice (n = 4) and mice with acute myocardial infarction (MI) (n = 4) injected with ultrasmall superparamagnetic iron oxide (USPIO) nanoparticles. In all, 402 spokes were acquired per stack with the incremental or the golden angle method using an angle increment of (360/402)° or 222.48°, respectively. A cylindrical k-space was filled and repeated with a maximum number of repetitions (NR) of 10. 3D cine cardiac images at 156 μm resolution were reconstructed retrospectively and compared for the two methods in terms of contrast-to-noise ratio (CNR). The golden angle images were also reconstructed with NR = 10, 6, and 3, to assess cardiac functional parameters (ejection fraction, EF) on both animal models. The combination of 3D SOS-STE and USPIO injection allowed us to optimize the identification of cardiac peaks on navigator signal and generate high CNR between blood and myocardium (15.3 ± 1.0). The golden angle method resulted in a more homogeneous distribution of the spokes inside a stack (P < 0.05), enabling reducing the acquisition time to 15 minutes. EF was significantly different between healthy and MI mice (P < 0.05). The method proposed here showed that 3D-cine images could be obtained without electrocardiogram or respiratory gating in mice. It allows precise measurement of cardiac functional parameters even on MI mice. J. Magn. Reson. Imaging 2016;44:355-365. © 2016 Wiley Periodicals, Inc.

Morphological transformations of diblock copolymers in binary solvents: A simulation study

NASA Astrophysics Data System (ADS)

Wang, Zheng; Yin, Yuhua; Jiang, Run; Li, Baohui

2017-12-01

Morphological transformations of amphiphilic AB diblock copolymers in mixtures of a common solvent (S1) and a selective solvent (S2) for the B block are studied using the simulated annealing method. We focus on the morphological transformation depending on the fraction of the selective solvent C S2, the concentration of the polymer C p , and the polymer-solvent interactions ɛ ij ( i = A, B; j = S1, S2). Morphology diagrams are constructed as functions of C p , C S2, and/or ɛ AS2. The copolymer morphological sequence from dissolved → sphere → rod → ring/cage → vesicle is obtained upon increasing C S2 at a fixed C p . This morphology sequence is consistent with previous experimental observations. It is found that the selectivity of the selective solvent affects the self-assembled microstructure significantly. In particular, when the interaction ɛ BS2 is negative, aggregates of stacked lamellae dominate the diagram. The mechanisms of aggregate transformation and the formation of stacked lamellar aggregates are discussed by analyzing variations of the average contact numbers of the A or B monomers with monomers and with molecules of the two types of solvent, as well as the mean square end-to-end distances of chains. It is found that the basic morphological sequence of spheres to rods to vesicles and the stacked lamellar aggregates result from competition between the interfacial energy and the chain conformational entropy. Analysis of the vesicle structure reveals that the vesicle size increases with increasing C p or with decreasing C S2, but remains almost unchanged with variations in ɛ AS2.

Dock 'n roll: folding of a silk-inspired polypeptide into an amyloid-like beta solenoid.

PubMed

Zhao, Binwu; Cohen Stuart, Martien A; Hall, Carol K

2016-04-20

Polypeptides containing the motif ((GA)mGX)n occur in silk and have a strong tendency to self-assemble. For example, polypeptides containing (GAGAGAGX)n, where X = G or H have been observed to form filaments; similar sequences but with X = Q have been used in the design of coat proteins (capsids) for artificial viruses. The structure of the (GAGAGAGX)m filaments has been proposed to be a stack of peptides in a β roll structure with the hydrophobic side chains pointing outwards (hydrophobic shell). Another possible configuration, a β roll or β solenoid structure which has its hydrophobic side chains buried inside (hydrophobic core) was, however, overlooked. We perform ground state analysis as well as atomic-level molecular dynamics simulations, both on single molecules and on two-molecule stacks of the silk-inspired sequence (GAGAGAGQ)10, to decide whether the hydrophobic core or the hydrophobic shell configuration is the most stable one. We find that a stack of two hydrophobic core molecules is energetically more favorable than a stack of two hydrophobic shell molecules. A shell molecule initially placed in a perfect β roll structure tends to rotate its strands, breaking in-plane hydrogen bonds and forming out-of-plane hydrogen bonds, while a core molecule stays in the β roll structure. The hydrophobic shell structure has type II' β turns whereas the core configuration has type II β turns; only the latter secondary structure agrees well with solid-state NMR experiments on a similar sequence (GA)15. We also observe that the core stack has a higher number of intra-molecular hydrogen bonds and a higher number of hydrogen bonds between stack and water than the shell stack. Hence, we conclude that the hydrophobic core configuration is the most likely structure. In the stacked state, each peptide has more intra-molecular hydrogen bonds than a single folded molecule, which suggests that stacking provides the extra stability needed for molecules to reach the folded state.

Geometric Patterns for Neighboring Bases Near the Stacked State in Nucleic Acid Strands.

PubMed

Sedova, Ada; Banavali, Nilesh K

2017-03-14

Structural variation in base stacking has been analyzed frequently in isolated double helical contexts for nucleic acids, but not as often in nonhelical geometries or in complex biomolecular environments. In this study, conformations of two neighboring bases near their stacked state in any environment are comprehensively characterized for single-strand dinucleotide (SSD) nucleic acid crystal structure conformations. An ensemble clustering method is used to identify a reduced set of representative stacking geometries based on pairwise distances between select atoms in consecutive bases, with multiple separable conformational clusters obtained for categories divided by nucleic acid type (DNA/RNA), SSD sequence, stacking face orientation, and the presence or absence of a protein environment. For both DNA and RNA, SSD conformations are observed that are either close to the A-form, or close to the B-form, or intermediate between the two forms, or further away from either form, illustrating the local structural heterogeneity near the stacked state. Among this large variety of distinct conformations, several common stacking patterns are observed between DNA and RNA, and between nucleic acids in isolation or in complex with proteins, suggesting that these might be stable stacking orientations. Noncanonical face/face orientations of the two bases are also observed for neighboring bases in the same strand, but their frequency is much lower, with multiple SSD sequences across categories showing no occurrences of such unusual stacked conformations. The resulting reduced set of stacking geometries is directly useful for stacking-energy comparisons between empirical force fields, prediction of plausible localized variations in single-strand structures near their canonical states, and identification of analogous stacking patterns in newly solved nucleic acid containing structures.

Temperature dependent photoluminescence and micromapping of multiple stacks InAs quantum dots

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

Xu, Ming, E-mail: ming.xu@lgep.supelec.fr; Jaffré, Alexandre, E-mail: ming.xu@lgep.supelec.fr; Alvarez, José, E-mail: ming.xu@lgep.supelec.fr

2015-02-27

We utilized temperature dependent photoluminescence (PL) techniques to investigate 1, 3 and 5 stack InGaAs quantum dots (QDs) grown on cross-hatch patterns. PL mapping can well reproduce the QDs distribution as AFM and position dependency of QD growth. It is possible to observe crystallographic dependent PL. The temperature dependent spectra exhibit the QDs energy distribution which reflects the size and shape. The inter-dot carrier coupling effect is observed and translated as a red shift of 120mV on the [1–10] direction peak is observed at 30K on 1 stack with regards to 3 stacks samples, which is assigned to lateral coupling.

Polycyclic aromatic hydrocarbon (PAH)-containing soils from coal gangue stacking areas contribute to epithelial to mesenchymal transition (EMT) modulation on cancer cell metastasis.

PubMed

Yun, Yang; Gao, Rui; Yue, Huifeng; Liu, Xiaofang; Li, Guangke; Sang, Nan

2017-02-15

The total accumulative stockpiles of gangue in China comprise 4.5billion metric tons, and approximately 659million tons of additional gangue are generated per year. Considering the stacking characteristics are highly heterogeneous, the potential cancer risks from the presence of polycyclic aromatic hydrocarbons (PAHs) remain elusive. This study aimed to determine whether PAH-containing soil around coal gangue stacking areas poses a potential cancer risk and contributes to cancer cell metastasis. The results indicate that eighteen PAHs, primarily originated from coal gangue, exhibited distance variations from the coal gangues to the downstream villages, and the abandoned colliery posed increased potential carcinogenic risks for humans as a result of long-term stacking of coal gangue. Furthermore, soil samples stimulated HepG2 cell migration and invasion in a PAH-dependent manner, and the action was involved in PPARγ-mediated epithelial to mesenchymal transition (EMT) modulation. These findings highlight the potential cancer risk of PAH-containing soil samples around coal gangue stacking areas, and identify important biomarkers underlying the risk and targets preventing the outcomes in polluted areas. Copyright © 2016 Elsevier B.V. All rights reserved.

Dependence of magnetic anisotropy on MgO sputtering pressure in Co20Fe60B20/MgO stacks

NASA Astrophysics Data System (ADS)

Kaidatzis, A.; Serletis, C.; Niarchos, D.

2017-10-01

We investigated the dependence of magnetic anisotropy of Ta/Co20Fe60B20/MgO stacks on the Ar partial pressure during MgO deposition, in the range between 0.5 and 15 mTorr. The stacks are studied before and after annealing at 300°C and it is shown that magnetic anisotropy significantly depends on Ar partial pressure. High pressure results in stacks with very low perpendicular magnetic anisotropy even after annealing, while low pressure results in stacks with perpendicular anisotropy even at the as-deposited state. A monotonic increase of magnetic anisotropy energy is observed as Ar partial pressure is decreased.

Object tracking using plenoptic image sequences

NASA Astrophysics Data System (ADS)

Kim, Jae Woo; Bae, Seong-Joon; Park, Seongjin; Kim, Do Hyung

2017-05-01

Object tracking is a very important problem in computer vision research. Among the difficulties of object tracking, partial occlusion problem is one of the most serious and challenging problems. To address the problem, we proposed novel approaches to object tracking on plenoptic image sequences. Our approaches take advantage of the refocusing capability that plenoptic images provide. Our approaches input the sequences of focal stacks constructed from plenoptic image sequences. The proposed image selection algorithms select the sequence of optimal images that can maximize the tracking accuracy from the sequence of focal stacks. Focus measure approach and confidence measure approach were proposed for image selection and both of the approaches were validated by the experiments using thirteen plenoptic image sequences that include heavily occluded target objects. The experimental results showed that the proposed approaches were satisfactory comparing to the conventional 2D object tracking algorithms.

MR imaging of iliofemoral peripheral vascular calcifications using proton density-weighted, in-phase three-dimensional stack-of-stars gradient echo.

PubMed

Ferreira Botelho, Marcos P; Koktzoglou, Ioannis; Collins, Jeremy D; Giri, Shivraman; Carr, James C; Gupta, NavYash; Edelman, Robert R

2017-06-01

The presence of vascular calcifications helps to determine percutaneous access for interventional vascular procedures and has prognostic value for future cardiovascular events. Unlike CT, standard MRI techniques are insensitive to vascular calcifications. In this prospective study, we tested a proton density-weighted, in-phase (PDIP) three-dimensional (3D) stack-of-stars gradient-echo pulse sequence with approximately 1 mm 3 isotropic spatial resolution at 1.5 Tesla (T) and 3T to detect iliofemoral peripheral vascular calcifications and correlated MR-determined lesion volumes with CT angiography (CTA). The study was approved by the Institutional Review Board. The prototype PDIP stack-of-stars pulse sequence was applied in 12 patients with iliofemoral peripheral vascular calcifications who had undergone CTA. Vascular calcifications were well visualized in all subjects, excluding segments near prostheses or stents. The location, size, and shape of the calcifications were similar to CTA. Quantitative analysis showed excellent correlation (r 2  = 0.84; P < 0.0001) between MR- and CT-based measures of calcification volume. In one subject in whom three pulse sequences were compared, PDIP stack-of-stars outperformed cartesian 3D gradient-echo and point-wise encoding time reduction with radial acquisition (PETRA). In this pilot study, a PDIP 3D stack-of-stars gradient-echo pulse sequence with high spatial resolution provided excellent image quality and accurately depicted the location and volume of iliofemoral vascular calcifications. Magn Reson Med 77:2146-2152, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

Stacking-sequence optimization for buckling of laminated plates by integer programming

NASA Technical Reports Server (NTRS)

Haftka, Raphael T.; Walsh, Joanne L.

1991-01-01

Integer-programming formulations for the design of symmetric and balanced laminated plates under biaxial compression are presented. Both maximization of buckling load for a given total thickness and the minimization of total thickness subject to a buckling constraint are formulated. The design variables that define the stacking sequence of the laminate are zero-one integers. It is shown that the formulation results in a linear optimization problem that can be solved on readily available software. This is in contrast to the continuous case, where the design variables are the thicknesses of layers with specified ply orientations, and the optimization problem is nonlinear. Constraints on the stacking sequence such as a limit on the number of contiguous plies of the same orientation and limits on in-plane stiffnesses are easily accommodated. Examples are presented for graphite-epoxy plates under uniaxial and biaxial compression using a commercial software package based on the branch-and-bound algorithm.

Rich magneto-absorption spectra of AAB-stacked trilayer graphene.

PubMed

Do, Thi-Nga; Shih, Po-Hsin; Chang, Cheng-Peng; Lin, Chiun-Yan; Lin, Ming-Fa

2016-06-29

A generalized tight-binding model is developed to investigate the feature-rich magneto-optical properties of AAB-stacked trilayer graphene. Three intragroup and six intergroup inter-Landau-level (inter-LL) optical excitations largely enrich magneto-absorption peaks. In general, the former are much higher than the latter, depending on the phases and amplitudes of LL wavefunctions. The absorption spectra exhibit single- or twin-peak structures which are determined by quantum modes, LL energy spectra and Fermion distribution. The splitting LLs, with different localization centers (2/6 and 4/6 positions in a unit cell), can generate very distinct absorption spectra. There exist extra single peaks because of LL anti-crossings. AAB, AAA, ABA, and ABC stackings considerably differ from one another in terms of the inter-LL category, frequency, intensity, and structure of absorption peaks. The main characteristics of LL wavefunctions and energy spectra and the Fermi-Dirac function are responsible for the configuration-enriched magneto-optical spectra.

Organic magnetic field sensor

DOEpatents

McCamey, Dane; Boehme, Christoph

2017-01-24

An organic, spin-dependent magnetic field sensor (10) includes an active stack (12) having an organic material with a spin-dependence. The sensor (10) also includes a back electrical contact (14) electrically coupled to a back of the active stack (12) and a front electrical contact (16) electrically coupled to a front of the active stack (12). A magnetic field generator (18) is oriented so as to provide an oscillating magnetic field which penetrates the active stack (12).

Influence of Layup Sequence on the Surface Accuracy of Carbon Fiber Composite Space Mirrors

NASA Astrophysics Data System (ADS)

Yang, Zhiyong; Liu, Qingnian; Zhang, Boming; Xu, Liang; Tang, Zhanwen; Xie, Yongjie

2018-04-01

Layup sequence is directly related to stiffness and deformation resistance of the composite space mirror, and error caused by layup sequence can affect the surface precision of composite mirrors evidently. Variation of layup sequence with the same total thickness of composite space mirror changes surface form of the composite mirror, which is the focus of our study. In our research, the influence of varied quasi-isotropic stacking sequences and random angular deviation on the surface accuracy of composite space mirrors was investigated through finite element analyses (FEA). We established a simulation model for the studied concave mirror with 500 mm diameter, essential factors of layup sequences and random angular deviations on different plies were discussed. Five guiding findings were described in this study. Increasing total plies, optimizing stacking sequence and keeping consistency of ply alignment in ply placement are effective to improve surface accuracy of composite mirror.

Damage states in laminated composite three-point bend specimens: An experimental-analytical correlation study

NASA Technical Reports Server (NTRS)

Starbuck, J. Michael; Guerdal, Zafer; Pindera, Marek-Jerzy; Poe, Clarence C.

1990-01-01

Damage states in laminated composites were studied by considering the model problem of a laminated beam subjected to three-point bending. A combination of experimental and theoretical research techniques was used to correlate the experimental results with the analytical stress distributions. The analytical solution procedure was based on the stress formulation approach of the mathematical theory of elasticity. The solution procedure is capable of calculating the ply-level stresses and beam displacements for any laminated beam of finite length using the generalized plane deformation or plane stress state assumption. Prior to conducting the experimental phase, the results from preliminary analyses were examined. Significant effects in the ply-level stress distributions were seen depending on the fiber orientation, aspect ratio, and whether or not a grouped or interspersed stacking sequence was used. The experimental investigation was conducted to determine the different damage modes in laminated three-point bend specimens. The test matrix consisted of three-point bend specimens of 0 deg unidirectional, cross-ply, and quasi-isotropic stacking sequences. The dependence of the damage initiation loads and ultimate failure loads were studied, and their relation to damage susceptibility and damage tolerance of the mean configuration was discussed. Damage modes were identified by visual inspection of the damaged specimens using an optical microscope. The four fundamental damage mechanisms identified were delaminations, matrix cracking, fiber breakage, and crushing. The correlation study between the experimental results and the analytical results were performed for the midspan deflection, indentation, damage modes, and damage susceptibility.

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.

Dock ’n Roll: Folding of a Silk-Inspired Polypeptide into an Amyloid-like Beta Solenoid

PubMed Central

Zhao, Binwu; Cohen Stuart, Martien A.; Hall, Carol K.

2016-01-01

Polypeptides containing the motif ((GA)mGX)n occur in silk (we refer to them as ‘silk-like’) and have a strong tendency to self-assemble. For example, polypeptides containing (GAGAGAGX)n, where X = G or H have been observed to form filaments; similar sequences but with X = Q have been used in the design of coat proteins (capsids) for artificial viruses. The structure of the (GAGAGAGX)m filaments has been proposed to be a stack of peptides in a β roll structure with the hydrophobic side chains pointing outwards (hydrophobic shell). Another possible configuration, a β roll or β solenoid structure which has its hydrophobic side chains buried inside (hydrophobic core) was, however, overlooked. We perform ground state analysis as well as atomic-level molecular dynamics simulations, both on single molecules and on two-molecule stacks of the silk-inspired sequence (GAGAGAGQ)10, to decide whether the hydrophobic core or the hydrophobic shell configuration is the most stable one. We find that a stack of two hydrophobic core molecules is energetically more favorable than a stack of two shell molecules. A shell molecule initially placed in a perfect β roll structure tends to rotate its strands, breaking in-plane hydrogen bonds and forming out-of-plane hydrogen bonds, while a core molecule stays in the β roll structure. The hydrophobic shell structure has type II’ β turns whereas the core configuration has type II β turns; only the latter secondary structure agrees well with solid-state NMR experiments on a similar sequence (GA)15. We also observe that the core stack has a higher number of intra-molecular hydrogen bonds and a higher number of hydrogen bonds between stack and water than the shell stack. Hence, we conclude that the hydrophobic core configuration is the most likely structure. In the stacked state, each peptide has more intra-molecular hydrogen bonds than a single folded molecule, which suggests that stacking provides the extra stability needed for molecules to reach the folded state. PMID:26947809

Molecular dynamics studies of the 3D structure and planar ligand binding of a quadruplex dimer.

PubMed

Li, Ming-Hui; Luo, Quan; Xue, Xiang-Gui; Li, Ze-Sheng

2011-03-01

G-rich sequences can fold into a four-stranded structure called a G-quadruplex, and sequences with short loops are able to aggregate to form stable quadruplex multimers. Few studies have characterized the properties of this variety of quadruplex multimers. Using molecular modeling and molecular dynamics simulations, the present study investigated a dimeric G-quadruplex structure formed from a simple sequence of d(GGGTGGGTGGGTGGGT) (G1), and its interactions with a planar ligand of a perylene derivative (Tel03). A series of analytical methods, including free energy calculations and principal components analysis (PCA), was used. The results show that a dimer structure with stacked parallel monomer structures is maintained well during the entire simulation. Tel03 can bind to the dimer efficiently through end stacking, and the binding mode of the ligand stacked with the 3'-terminal thymine base is most favorable. PCA showed that the dominant motions in the free dimer occur on the loop regions, and the presence of the ligand reduces the flexibility of the loops. Our investigation will assist in understanding the geometric structure of stacked G-quadruplex multimers and may be helpful as a platform for rational drug design.

Effect of stacking sequence on mechanical properties neem wood veneer plastic composites

NASA Astrophysics Data System (ADS)

Nagamadhu, M.; Kumar, G. C. Mohan; Jeyaraj, P.

2018-04-01

This study investigates the effect of wood veneer stacking sequence on mechanical properties of neem wood polymer composite (WPC) experimentally. Wood laminated samples were fabricated by conventional hand layup technique in a mold and cured under pressure at room temperature and then post cured at elevated temperature. Initially, the tensile, flexural, and impact test were conducted to understand the effect of weight fraction of fiber on mechanical properties. The mechanical properties have increased with the weight fraction of fiber. Moreover the stacking sequence of neem wood plays an important role. As it has a significant impact on the mechanical properties. The results indicated that 0°/0° WPC shows highest mechanical properties as compared to other sequences (90°/90°, 0°/90°, 45°/90°, 45°/45°). The Fourier Transform Infrared Spectroscopy (FTIR) Analysis were carried out to identify chemical compounds both in raw neem wood and neem wood epoxy composite. The microstructure raw/neat neem wood and the interfacial bonding characteristics of neem wood composite investigated using Scanning electron microscopy images.

Stacking-dependent electronic property of trilayer graphene epitaxially grown on Ru(0001)

NASA Astrophysics Data System (ADS)

Que, Yande; Xiao, Wende; Chen, Hui; Wang, Dongfei; Du, Shixuan; Gao, Hong-Jun

2015-12-01

The growth, atomic structure, and electronic property of trilayer graphene (TLG) on Ru(0001) were studied by low temperature scanning tunneling microscopy and spectroscopy in combined with tight-binding approximation (TBA) calculations. TLG on Ru(0001) shows a flat surface with a hexagonal lattice due to the screening effect of the bottom two layers and the AB-stacking in the top two layers. The coexistence of AA- and AB-stacking in the bottom two layers leads to three different stacking orders of TLG, namely, ABA-, ABC-, and ABB-stacking. STS measurements combined with TBA calculations reveal that the density of states of TLG with ABC- and ABB-stacking is characterized by one and two sharp peaks near to the Fermi level, respectively, in contrast to the V-shaped feature of TLG with ABA-stacking. Our work demonstrates that TLG on Ru(0001) might be an ideal platform for exploring stacking-dependent electronic properties of graphene.

Intelligent fault diagnosis of rolling bearings using an improved deep recurrent neural network

NASA Astrophysics Data System (ADS)

Jiang, Hongkai; Li, Xingqiu; Shao, Haidong; Zhao, Ke

2018-06-01

Traditional intelligent fault diagnosis methods for rolling bearings heavily depend on manual feature extraction and feature selection. For this purpose, an intelligent deep learning method, named the improved deep recurrent neural network (DRNN), is proposed in this paper. Firstly, frequency spectrum sequences are used as inputs to reduce the input size and ensure good robustness. Secondly, DRNN is constructed by the stacks of the recurrent hidden layer to automatically extract the features from the input spectrum sequences. Thirdly, an adaptive learning rate is adopted to improve the training performance of the constructed DRNN. The proposed method is verified with experimental rolling bearing data, and the results confirm that the proposed method is more effective than traditional intelligent fault diagnosis methods.

Sequence and Temperature Dependence of the End-to-End Collision Dynamics of Single-Stranded DNA

PubMed Central

Uzawa, Takanori; Isoshima, Takashi; Ito, Yoshihiro; Ishimori, Koichiro; Makarov, Dmitrii E.; Plaxco, Kevin W.

2013-01-01

Intramolecular collision dynamics play an essential role in biomolecular folding and function and, increasingly, in the performance of biomimetic technologies. To date, however, the quantitative studies of dynamics of single-stranded nucleic acids have been limited. Thus motivated, here we investigate the sequence composition, chain-length, viscosity, and temperature dependencies of the end-to-end collision dynamics of single-stranded DNAs. We find that both the absolute collision rate and the temperature dependencies of these dynamics are base-composition dependent, suggesting that base stacking interactions are a significant contributor. For example, whereas the end-to-end collision dynamics of poly-thymine exhibit simple, linear Arrhenius behavior, the behavior of longer poly-adenine constructs is more complicated. Specifically, 20- and 25-adenine constructs exhibit biphasic temperature dependencies, with their temperature dependences becoming effectively indistinguishable from that of poly-thymine above 335 K for 20-adenines and 328 K for 25-adenines. The differing Arrhenius behaviors of poly-thymine and poly-adenine and the chain-length dependence of the temperature at which poly-adenine crosses over to behave like poly-thymine can be explained by a barrier friction mechanism in which, at low temperatures, the energy barrier for the local rearrangement of poly-adenine becomes the dominant contributor to its end-to-end collision dynamics. PMID:23746521

Stacking-dependent interlayer coupling in trilayer MoS 2 with broken inversion symmetry

DOE PAGES

Yan, Jiaxu; Wang, Xingli; Tay, Beng Kang; ...

2015-11-13

The stacking configuration in few-layer two-dimensional (2D) materials results in different structural symmetries and layer-to-layer interactions, and hence it provides a very useful parameter for tuning their electronic properties. For example, ABA-stacking trilayer graphene remains semimetallic similar to that of monolayer, while ABC-stacking is predicted to be a tunable band gap semiconductor under an external electric field. Such stacking dependence resulting from many-body interactions has recently been the focus of intense research activities. Here we demonstrate that few-layer MoS 2 samples grown by chemical vapor deposition with different stacking configurations (AA, AB for bilayer; AAB, ABB, ABA, AAA for trilayer)more » exhibit distinct coupling phenomena in both photoluminescence and Raman spectra. By means of ultralow-frequency (ULF) Raman spectroscopy, we demonstrate that the evolution of interlayer interaction with various stacking configurations correlates strongly with layer-breathing mode (LBM) vibrations. Our ab initio calculations reveal that the layer-dependent properties arise from both the spin–orbit coupling (SOC) and interlayer coupling in different structural symmetries. Lastly, such detailed understanding provides useful guidance for future spintronics fabrication using various stacked few-layer MoS 2 blocks.« less

Stacking-dependent interlayer coupling in trilayer MoS 2 with broken inversion symmetry

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

Yan, Jiaxu; Wang, Xingli; Tay, Beng Kang

The stacking configuration in few-layer two-dimensional (2D) materials results in different structural symmetries and layer-to-layer interactions, and hence it provides a very useful parameter for tuning their electronic properties. For example, ABA-stacking trilayer graphene remains semimetallic similar to that of monolayer, while ABC-stacking is predicted to be a tunable band gap semiconductor under an external electric field. Such stacking dependence resulting from many-body interactions has recently been the focus of intense research activities. Here we demonstrate that few-layer MoS 2 samples grown by chemical vapor deposition with different stacking configurations (AA, AB for bilayer; AAB, ABB, ABA, AAA for trilayer)more » exhibit distinct coupling phenomena in both photoluminescence and Raman spectra. By means of ultralow-frequency (ULF) Raman spectroscopy, we demonstrate that the evolution of interlayer interaction with various stacking configurations correlates strongly with layer-breathing mode (LBM) vibrations. Our ab initio calculations reveal that the layer-dependent properties arise from both the spin–orbit coupling (SOC) and interlayer coupling in different structural symmetries. Lastly, such detailed understanding provides useful guidance for future spintronics fabrication using various stacked few-layer MoS 2 blocks.« less

Fabrication of a white electroluminescent device based on bilayered yellow and blue quantum dots.

PubMed

Kim, Jong-Hoon; Lee, Ki-Heon; Kang, Hee-Don; Park, Byoungnam; Hwang, Jun Yeon; Jang, Ho Seong; Do, Young Rag; Yang, Heesun

2015-03-12

Until now most work on colloidal quantum dot-light-emitting diodes (QLEDs) has been focused on the improvement of the electroluminescent (EL) performance of monochromatic devices, and multi-colored white QLEDs comprising more than one type of QD emitter have been rarely investigated. To demonstrate a white EL as a result of color mixing between blue and yellow, herein a unique combination of two dissimilar QDs of blue- CdZnS/ZnS plus a yellow-emitting Cu-In-S (CIS)/ZnS is used for the formation of the emitting layer (EML) of a multilayered QLED. First, the QLED consisting of a single EML randomly mixed with two QDs is fabricated, however, its EL is dominated by blue emission with the contribution of yellow emission substantially weaker. Thus, another EML configuration is devised in the form of a QD bilayer with two stacking sequences of CdZnS/ZnS//CIS/ZnS QD and vice versa. The QLED with the former stacking sequence shows an overwhelming contribution of blue EL, similar to the mixed QD EML-based device. Upon applying the oppositely stacked QD bilayer of CIS/ZnS//CdZnS/ZnS, however, a bicolored white EL can be successfully achieved by means of the effective extension of the radiative excitonic recombination zone throughout both QD EML regions. Such QD EML configuration-dependent EL results, which are discussed primarily using the proposed device energy level diagram, strongly suggest that the positional design of individual QD emitters is a critical factor for the realization of multicolored, white emissive devices.

A continuum model for damage evolution in laminated composites

NASA Technical Reports Server (NTRS)

Lo, D. C.; Allen, D. H.; Harris, C. E.

1991-01-01

The accumulation of matrix cracking is examined using continuum damage mechanics lamination theory. A phenomenologically based damage evolutionary relationship is proposed for matrix cracking in continuous fiber reinforced laminated composites. The use of material dependent properties and damage dependent laminate averaged ply stresses in this evolutionary relationship permits its application independently of the laminate stacking sequence. Several load histories are applied to crossply laminates using this model, and the results are compared to published experimental data. The stress redistribution among the plies during the accumulation of matrix damage is also examined. It is concluded that characteristics of the stress redistribution process could assist in the analysis of the progressive failure process in laminated composites.

Buckling and postbuckling behavior of square compression-loaded graphite-epoxy plates with circular cutouts

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.

1989-01-01

The postbuckling behavior of square compression-loaded graphite-epoxy plates and isotropic plates with a central circular cutout is studied. The results suggest that the change in the plate's axial stiffness is strongly dependent on cutout size and plate orthotropy. It is found that the cutout size and stacking sequence of a composite plate may be tailored to optimize postbuckling stiffness. Also, it is suggested that a cutout may influence model interaction in a plate. The effects of load-path eccentricity on buckling behavior are examined.

Temperature-dependent ideal strength and stacking fault energy of fcc Ni: a first-principles study of shear deformation.

PubMed

Shang, S L; Wang, W Y; Wang, Y; Du, Y; Zhang, J X; Patel, A D; Liu, Z K

2012-04-18

Variations of energy, stress, and magnetic moment of fcc Ni as a response to shear deformation and the associated ideal shear strength (τ(IS)), intrinsic (γ(SF)) and unstable (γ(US)) stacking fault energies have been studied in terms of first-principles calculations under both the alias and affine shear regimes within the {111} slip plane along the <112> and <110> directions. It is found that (i) the intrinsic stacking fault energy γ(SF) is nearly independent of the shear deformation regimes used, albeit a slightly smaller value is predicted by pure shear (with relaxation) compared to the one from simple shear (without relaxation); (ii) the minimum ideal shear strength τ(IS) is obtained by pure alias shear of {111}<112>; and (iii) the dissociation of the 1/2[110] dislocation into two partial Shockley dislocations (1/6[211] + 1/6[121]) is observed under pure alias shear of {111}<110>. Based on the quasiharmonic approach from first-principles phonon calculations, the predicted γ(SF) has been extended to finite temperatures. In particular, using a proposed quasistatic approach on the basis of the predicted volume versus temperature relation, the temperature dependence of τ(IS) is also obtained. Both the γ(SF) and the τ(IS) of fcc Ni decrease with increasing temperature. The computed ideal shear strengths as well as the intrinsic and unstable stacking fault energies are in favorable accord with experiments and other predictions in the literature.

Optimum stacking sequence design of laminated composite circular plates with curvilinear fibres by a layer-wise optimization method

NASA Astrophysics Data System (ADS)

Guenanou, A.; Houmat, A.

2018-05-01

The optimum stacking sequence design for the maximum fundamental frequency of symmetrically laminated composite circular plates with curvilinear fibres is investigated for the first time using a layer-wise optimization method. The design variables are two fibre orientation angles per layer. The fibre paths are constructed using the method of shifted paths. The first-order shear deformation plate theory and a curved square p-element are used to calculate the objective function. The blending function method is used to model accurately the geometry of the circular plate. The equations of motion are derived using Lagrange's method. The numerical results are validated by means of a convergence test and comparison with published values for symmetrically laminated composite circular plates with rectilinear fibres. The material parameters, boundary conditions, number of layers and thickness are shown to influence the optimum solutions to different extents. The results should serve as a benchmark for optimum stacking sequences of symmetrically laminated composite circular plates with curvilinear fibres.

Unfolding thermodynamics of intramolecular G-quadruplexes: base sequence contributions of the loops.

PubMed

Olsen, Chris M; Lee, Hui-Ting; Marky, Luis A

2009-03-05

G-quadruplexes are a highly studied DNA motif with a potential role in a variety of cellular processes and more recently are considered novel targets for drug therapy in aging and anticancer research. In this work, we have investigated the thermodynamic contributions of the loops on the stable formation of G-quadruplexes. Specifically, we use a combination of UV, circular dichroism (CD) and fluorescence spectroscopies, and differential scanning calorimetry (DSC) to determine thermodynamic profiles, including the differential binding of ions and water, for the unfolding of the thrombin aptamer: d(GGT2GGTGTGGT2GG) that is referred to as G2. The sequences in italics, TGT and T2, are known to form loops. Other sequences examined contained base substitutions in the TGT loop (TAT, TCT, TTT, TAPT, and UUU), in the T2 loops (T4, U2), or in both loops (UGU and U2, UUU and U2). The CD spectra of all molecules show a positive band centered at 292 nm, which corresponds to the "chair" conformation. The UV and DSC melting curves of each G-quadruplex show monophasic transitions with transition temperatures (T(M)s) that remained constant with increasing strand concentration, confirming their intramolecular formation. These G-quadruplexes unfold with T(M)s in the range from 43.2 to 56.5 degrees C and endothermic enthalpies from 22.9 to 37.2 kcal/mol. Subtracting the contribution of a G-quartet stack from each experimental profile indicated that the presence of the loops stabilize each G-quadruplex by favorable enthalpy contributions, larger differential binding of K+ ions (0.1-0.6 mol K+/ mol), and a variable uptake/release of water molecules (-6 to 8 mol H2O/mol). The thermodynamic contributions for these specific base substitutions are discussed in terms of loop stacking (base-base stacking within the loops) and their hydration effects.

Quantitation of base substitutions in eukaryotic 5S rRNA: selection for the maintenance of RNA secondary structure.

PubMed

Curtiss, W C; Vournakis, J N

1984-01-01

Eukaryotic 5S rRNA sequences from 34 diverse species were compared by the following method: (1) The sequences were aligned; (2) the positions of substitutions were located by comparison of all possible pairs of sequences; (3) the substitution sites were mapped to an assumed general base pairing model; and (4) the R-Y model of base stacking was used to study stacking pattern relationships in the structure. An analysis of the sequence and structure variability in each region of the molecule is presented. It was found that the degree of base substitution varies over a wide range, from absolute conservation to occurrence of over 90% of the possible observable substitutions. The substitutions are located primarily in stem regions of the 5S rRNA secondary structure. More than 88% of the substitutions in helical regions maintain base pairing. The disruptive substitutions are primarily located at the edges of helical regions, resulting in shortening of the helical regions and lengthening of the adjacent nonpaired regions. Base stacking patterns determined by the R-Y model are mapped onto the general secondary structure. Intrastrand and interstrand stacking could stabilize alternative coaxial structures and limit the conformational flexibility of nonpaired regions. Two short contiguous regions are 100% conserved in all species. This may reflect evolutionary constraints imposed at the DNA level by the requirement for binding of a 5S gene transcription initiation factor during gene expression.

Universal Readers Based on Hydrogen Bonding or π-π Stacking for Identification of DNA Nucleotides in Electron Tunnel Junctions.

PubMed

Biswas, Sovan; Sen, Suman; Im, JongOne; Biswas, Sudipta; Krstic, Predrag; Ashcroft, Brian; Borges, Chad; Zhao, Yanan; Lindsay, Stuart; Zhang, Peiming

2016-12-27

A reader molecule, which recognizes all the naturally occurring nucleobases in an electron tunnel junction, is required for sequencing DNA by a recognition tunneling (RT) technique, referred to as a universal reader. In the present study, we have designed a series of heterocyclic carboxamides based on hydrogen bonding and a large-sized pyrene ring based on a π-π stacking interaction as universal reader candidates. Each of these compounds was synthesized to bear a thiolated linker for attachment to metal electrodes and examined for their interactions with naturally occurring DNA nucleosides and nucleotides by 1 H NMR, ESI-MS, computational calculations, and surface plasmon resonance. RT measurements were carried out in a scanning tunnel microscope. All of these molecules generated electrical signals with DNA nucleotides in tunneling junctions under physiological conditions (phosphate buffered aqueous solution, pH 7.4). Using a support vector machine as a tool for data analysis, we found that these candidates distinguished among naturally occurring DNA nucleotides with the accuracy of pyrene (by π-π stacking interactions) > azole carboxamides (by hydrogen-bonding interactions). In addition, the pyrene reader operated efficiently in a larger tunnel junction. However, the azole carboxamide could read abasic (AP) monophosphate, a product from spontaneous base hydrolysis or an intermediate of base excision repair. Thus, we envision that sequencing DNA using both π-π stacking and hydrogen-bonding-based universal readers in parallel should generate more comprehensive genome sequences than sequencing based on either reader molecule alone.

RECENT ADVANCES IN HIGH TEMPERATURE ELECTROLYSIS AT IDAHO NATIONAL LABORATORY: STACK TESTS

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

X, Zhang; J. E. O'Brien; R. C. O'Brien

2012-07-01

High temperature steam electrolysis is a promising technology for efficient sustainable large-scale hydrogen production. Solid oxide electrolysis cells (SOECs) are able to utilize high temperature heat and electric power from advanced high-temperature nuclear reactors or renewable sources to generate carbon-free hydrogen at large scale. However, long term durability of SOECs needs to be improved significantly before commercialization of this technology. A degradation rate of 1%/khr or lower is proposed as a threshold value for commercialization of this technology. Solid oxide electrolysis stack tests have been conducted at Idaho National Laboratory to demonstrate recent improvements in long-term durability of SOECs. Electrolytesupportedmore » and electrode-supported SOEC stacks were provided by Ceramatec Inc., Materials and Systems Research Inc. (MSRI), and Saint Gobain Advanced Materials (St. Gobain), respectively for these tests. Long-term durability tests were generally operated for a duration of 1000 hours or more. Stack tests based on technology developed at Ceramatec and MSRI have shown significant improvement in durability in the electrolysis mode. Long-term degradation rates of 3.2%/khr and 4.6%/khr were observed for MSRI and Ceramatec stacks, respectively. One recent Ceramatec stack even showed negative degradation (performance improvement) over 1900 hours of operation. A three-cell short stack provided by St. Gobain, however, showed rapid degradation in the electrolysis mode. Improvements on electrode materials, interconnect coatings, and electrolyteelectrode interface microstructures contribute to better durability of SOEC stacks.« less

Stacking-dependent electronic property of trilayer graphene epitaxially grown on Ru(0001)

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

Que, Yande; Xiao, Wende, E-mail: wdxiao@iphy.ac.cn, E-mail: hjgao@iphy.ac.cn; Chen, Hui

The growth, atomic structure, and electronic property of trilayer graphene (TLG) on Ru(0001) were studied by low temperature scanning tunneling microscopy and spectroscopy in combined with tight-binding approximation (TBA) calculations. TLG on Ru(0001) shows a flat surface with a hexagonal lattice due to the screening effect of the bottom two layers and the AB-stacking in the top two layers. The coexistence of AA- and AB-stacking in the bottom two layers leads to three different stacking orders of TLG, namely, ABA-, ABC-, and ABB-stacking. STS measurements combined with TBA calculations reveal that the density of states of TLG with ABC- andmore » ABB-stacking is characterized by one and two sharp peaks near to the Fermi level, respectively, in contrast to the V-shaped feature of TLG with ABA-stacking. Our work demonstrates that TLG on Ru(0001) might be an ideal platform for exploring stacking-dependent electronic properties of graphene.« less

Determination of the stacking fault density in highly defective single GaAs nanowires by means of coherent diffraction imaging

NASA Astrophysics Data System (ADS)

Davtyan, Arman; Biermanns, Andreas; Loffeld, Otmar; Pietsch, Ullrich

2016-06-01

Coherent x-ray diffraction imaging is used to measure diffraction patterns from individual highly defective nanowires, showing a complex speckle pattern instead of well-defined Bragg peaks. The approach is tested for nanowires of 500 nm diameter and 500 nm height predominately composed by zinc-blende (ZB) and twinned zinc-blende (TZB) phase domains. Phase retrieval is used to reconstruct the measured 2-dimensional intensity patterns recorded from single nanowires with 3.48 nm and 0.98 nm spatial resolution. Whereas the speckle amplitudes and distribution are perfectly reconstructed, no unique solution could be obtained for the phase structure. The number of phase switches is found to be proportional to the number of measured speckles and follows a narrow number distribution. Using data with 0.98 nm spatial resolution the mean number of phase switches is in reasonable agreement with estimates taken from TEM. However, since the resolved phase domain still is 3-4 times larger than a single GaAs bilayer we explain the non-ambiguous phase reconstruction by the fact that depending on starting phase and sequence of subroutines used during the phase retrieval the retrieved phase domain host a different sequence of randomly stacked bilayers. Modelling possible arrangements of bilayer sequences within a phase domain demonstrate that the complex speckle patterns measured can indeed be explained by the random arrangement of the ZB and TZB phase domains.

A first-principles study of the electrically tunable band gap in few-layer penta-graphene.

PubMed

Wang, Jinjin; Wang, Zhanyu; Zhang, R J; Zheng, Y X; Chen, L Y; Wang, S Y; Tsoo, Chia-Chin; Huang, Hung-Ji; Su, Wan-Sheng

2018-06-25

The structural and electronic properties of bilayer (AA- and AB-stacked) and tri-layer (AAA-, ABA- and AAB-stacked) penta-graphene (PG) have been investigated in the framework of density functional theory. The present results demonstrate that the ground state energy in AB stacking is lower than that in AA stacking, whereas ABA stacking is found to be the most energetically favorable, followed by AAB and AAA stackings. All considered model configurations are found to be semiconducting, independent of the stacking sequence. In the presence of a perpendicular electric field, their band gaps can be significantly reduced and completely closed at a specific critical electric field strength, demonstrating a Stark effect. These findings show that few-layer PG will have tremendous opportunities to be applied in nanoscale electronic and optoelectronic devices owing to its tunable band gap.

PEM fuel cell stack heat and mass management

NASA Technical Reports Server (NTRS)

Vanderborgh, Nicholas E.; Kimble, Michael C.; Huff, James R.; Hedstrom, James C.

1992-01-01

PEM stacks are under evaluation as candidates for future space power technology. Results of long-term operation on a set of contemporary stacks fitted with different proton exchange membrane materials are given. Data on water balances show effects of membrane materials on stack performance.

Recognition of platinum-DNA adducts by HMGB1a.

PubMed

Ramachandran, Srinivas; Temple, Brenda; Alexandrova, Anastassia N; Chaney, Stephen G; Dokholyan, Nikolay V

2012-09-25

Cisplatin (CP) and oxaliplatin (OX), platinum-based drugs used widely in chemotherapy, form adducts on intrastrand guanines (5'GG) in genomic DNA. DNA damage recognition proteins, transcription factors, mismatch repair proteins, and DNA polymerases discriminate between CP- and OX-GG DNA adducts, which could partly account for differences in the efficacy, toxicity, and mutagenicity of CP and OX. In addition, differential recognition of CP- and OX-GG adducts is highly dependent on the sequence context of the Pt-GG adduct. In particular, DNA binding protein domain HMGB1a binds to CP-GG DNA adducts with up to 53-fold greater affinity than to OX-GG adducts in the TGGA sequence context but shows much smaller differences in binding in the AGGC or TGGT sequence contexts. Here, simulations of the HMGB1a-Pt-DNA complex in the three sequence contexts revealed a higher number of interface contacts for the CP-DNA complex in the TGGA sequence context than in the OX-DNA complex. However, the number of interface contacts was similar in the TGGT and AGGC sequence contexts. The higher number of interface contacts in the CP-TGGA sequence context corresponded to a larger roll of the Pt-GG base pair step. Furthermore, geometric analysis of stacking of phenylalanine 37 in HMGB1a (Phe37) with the platinated guanines revealed more favorable stacking modes correlated with a larger roll of the Pt-GG base pair step in the TGGA sequence context. These data are consistent with our previous molecular dynamics simulations showing that the CP-TGGA complex was able to sample larger roll angles than the OX-TGGA complex or either CP- or OX-DNA complexes in the AGGC or TGGT sequences. We infer that the high binding affinity of HMGB1a for CP-TGGA is due to the greater flexibility of CP-TGGA compared to OX-TGGA and other Pt-DNA adducts. This increased flexibility is reflected in the ability of CP-TGGA to sample larger roll angles, which allows for a higher number of interface contacts between the Pt-DNA adduct and HMGB1a.

A Measurement of the Galaxy Group-Thermal Sunyaev-Zel’dovich Effect Cross-Correlation Function

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

Vikram, Vinu; Lidz, Adam; Jain, Bhuvnesh

2017-01-09

Stacking cosmic microwave background maps around known galaxy clusters and groups provides a powerful probe of the distribution of hot gas in these systems via the Sunyaev-Zel'dovich (SZ) effect. A stacking analysis allows one to detect the average SZ signal around low-mass haloes, to extend measurements out to large scales and measure the redshift dependence of the SZ background. Motivated by these exciting prospects, we measure the two-point cross-correlation function between similar to 380 000 galaxy groups (at z = 0.01-0.2) from the Sloan Digital Sky Survey and Compton-y parameter maps constructed by the Planck collaboration. We find statistically significantmore » correlations in each of six separate mass bins, with halo masses ranging from 1011.5 to 1015.5 M(circle dot)h(-1). We compare with halo models of the SZ signal, which describe the stacked measurement in terms of one-halo and two-halo contributions. The onehalo term quantifies the average pressure profile around the groups in a mass bin, while the two-halo term describes the contribution of correlated neighbouring haloes. For the massive groups, we find clear evidence for the one-and two-halo regimes, while groups with mass below 1013M(circle dot)h(-1) are dominated by the two-halo term, given the resolution of Planck data. We use the signal in the two-halo regime to determine the bias-weighted electron pressure of the Universe: < bPe > = 1.50 +/- 0.226 x 10(-7) keV cm(-3) (sigma) at z approximate to 0.15.« less

A Measurement of the Galaxy Group-Thermal Sunyaev-Zel'dovich Effect Cross-Correlation Function

NASA Astrophysics Data System (ADS)

Vikram, Vinu; Lidz, Adam; Jain, Bhuvnesh

2017-05-01

Stacking cosmic microwave background maps around known galaxy clusters and groups provides a powerful probe of the distribution of hot gas in these systems via the Sunyaev-Zel'dovich (SZ) effect. A stacking analysis allows one to detect the average SZ signal around low-mass haloes, to extend measurements out to large scales and measure the redshift dependence of the SZ background. Motivated by these exciting prospects, we measure the two-point cross-correlation function between ˜380 000 galaxy groups (at z = 0.01-0.2) from the Sloan Digital Sky Survey and Compton-y parameter maps constructed by the Planck collaboration. We find statistically significant correlations in each of six separate mass bins, with halo masses ranging from 1011.5 to 1015.5 M⊙ h-1. We compare with halo models of the SZ signal, which describe the stacked measurement in terms of one-halo and two-halo contributions. The one-halo term quantifies the average pressure profile around the groups in a mass bin, while the two-halo term describes the contribution of correlated neighbouring haloes. For the massive groups, we find clear evidence for the one- and two-halo regimes, while groups with mass below 1013 M⊙ h-1 are dominated by the two-halo term, given the resolution of Planck data. We use the signal in the two-halo regime to determine the bias-weighted electron pressure of the Universe: = 1.50 ± 0.226 × 10-7 keV cm-3 (1σ) at z ≈ 0.15.

Relative stabilities and the spectral signatures of stacked and hydrogen-bonded dimers of serotonin

NASA Astrophysics Data System (ADS)

Dev, S.; Giri, K.; Majumder, M.; Sathyamurthy, N.

2015-10-01

The O-HṡṡṡN hydrogen-bonded dimer of serotonin is shown to be more stable than the stacked dimer in its ground electronic state, by using the Møller-Plesset second-order perturbation theory (MP2) and the 6-31g** basis set. The vertical excitation energy for the lowest π → π* transition for the monomer as well as the dimer is predicted by time-dependent density functional theory. The experimentally observed red shift of excitation wavelength on oligomerisation is explained in terms of the change in the HOMO-LUMO energy gap due to complex formation. The impact of dimer formation on the proton magnetic resonance spectrum of serotonin monomer is also examined.

Stacking fault related luminescence in GaN nanorods.

PubMed

Forsberg, M; Serban, A; Poenaru, I; Hsiao, C-L; Junaid, M; Birch, J; Pozina, G

2015-09-04

Optical and structural properties are presented for GaN nanorods (NRs) grown in the [0001] direction on Si(111) substrates by direct-current reactive magnetron sputter epitaxy. Transmission electron microscopy (TEM) reveals clusters of dense stacking faults (SFs) regularly distributed along the c-axis. A strong emission line at ∼3.42 eV associated with the basal-plane SFs has been observed in luminescence spectra. The optical signature of SFs is stable up to room temperatures with the activation energy of ∼20 meV. Temperature-dependent time-resolved photoluminescence properties suggest that the recombination mechanism of the 3.42 eV emission can be understood in terms of multiple quantum wells self-organized along the growth axis of NRs.

Cy3 and Cy5 dyes attached to oligonucleotide terminus stabilize DNA duplexes: predictive thermodynamic model.

PubMed

Moreira, Bernardo G; You, Yong; Owczarzy, Richard

2015-03-01

Cyanine dyes are important chemical modifications of oligonucleotides exhibiting intensive and stable fluorescence at visible light wavelengths. When Cy3 or Cy5 dye is attached to 5' end of a DNA duplex, the dye stacks on the terminal base pair and stabilizes the duplex. Using optical melting experiments, we have determined thermodynamic parameters that can predict the effects of the dyes on duplex stability quantitatively (ΔG°, Tm). Both Cy dyes enhance duplex formation by 1.2 kcal/mol on average, however, this Gibbs energy contribution is sequence-dependent. If the Cy5 is attached to a pyrimidine nucleotide of pyrimidine-purine base pair, the stabilization is larger compared to the attachment to a purine nucleotide. This is likely due to increased stacking interactions of the dye to the purine of the complementary strand. Dangling (unpaired) nucleotides at duplex terminus are also known to enhance duplex stability. Stabilization originated from the Cy dyes is significantly larger than the stabilization due to the presence of dangling nucleotides. If both the dangling base and Cy3 are present, their thermodynamic contributions are approximately additive. New thermodynamic parameters improve predictions of duplex folding, which will help design oligonucleotide sequences for biophysical, biological, engineering, and nanotechnology applications. Copyright © 2015. Published by Elsevier B.V.

Role of Side Chains in β-Sheet Self-Assembly into Peptide Fibrils. IR and VCD Spectroscopic Studies of Glutamic Acid-Containing Peptides.

PubMed

Tobias, Fernando; Keiderling, Timothy A

2016-05-10

Poly(glutamic acid) at low pH self-assembles after incubation at higher temperature into fibrils composed of antiparallel sheets that are stacked in a β2-type structure whose amide carbonyls have bifurcated H-bonds involving the side chains from the next sheet. Oligomers of Glu can also form such structures, and isotope labeling has provided insight into their out-of-register antiparallel structure [ Biomacromolecules 2013 , 14 , 3880 - 3891 ]. In this paper we report IR and VCD spectra and transmission electron micrograph (TEM) images for a series of alternately sequenced oligomers, Lys-(Aaa-Glu)5-Lys-NH2, where Aaa was varied over a variety of polar, aliphatic, or aromatic residues. Their spectral and TEM data show that these oligopeptides self-assemble into different structures, both local and morphological, that are dependent on both the nature of the Aaa side chains and growth conditions employed. Such alternate peptides substituted with small or polar residues, Ala and Thr, do not yield fibrils; but with β-branched aliphatic residues, Val and Ile, that could potentially pack with Glu side chains, these oligopeptides do show evidence of β2-stacking. By contrast, for Leu, with longer side chains, only β1-stacking is seen while with even larger Phe side chains, either β-form can be detected separately, depending on preparation conditions. These structures are dependent on high temperature incubation after reducing the pH and in some cases after sonication of initial fibril forms and reincubation. Some of these fibrillar peptides, but not all, show enhanced VCD, which can offer evidence for formation of long, multistrand, often twisted structures. Substitution of Glu with residues having selected side chains yields a variety of morphologies, leading to both β1- and β2-structures, that overall suggests two different packing modes for the hydrophobic side chains depending on size and type.

High Temperature Steam Electrolysis: Demonstration of Improved Long-Term Performance

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

J. E. O'Brien; X. Zhang; R. C. O'Brien

2011-11-01

Long-term performance is an ongoing issue for hydrogen production based on high-temperature steam electrolysis (HTSE). For commercial deployment, solid-oxide electrolysis stacks must achieve high performance with long-term degradation rates of {approx}0.5%/1000 hours or lower. Significant progress has been achieved toward this goal over the past few years. This paper will provide details of progress achieved under the Idaho National Laboratory high temperature electrolysis research program. Recent long-term stack tests have achieved high initial performance with degradation rates less than 5%/khr. These tests utilize internally manifolded stacks with electrode-supported cells. The cell material sets are optimized for the electrolysis mode ofmore » operation. Details of the cells and stacks will be provided along with details of the test apparatus, procedures, and results.« less

Modeling DNA bubble formation at the atomic scale

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

Beleva, V; Rasmussen, K. O.; Garcia, A. E.

We describe the fluctuations of double stranded DNA molecules using a minimalist Go model over a wide range of temperatures. Minimalist models allow us to describe, at the atomic level, the opening and formation of bubbles in DNA double helices. This model includes all the geometrical constraints in helix melting imposed by the 3D structure of the molecule. The DNA forms melted bubbles within double helices. These bubbles form and break as a function of time. The equilibrium average number of broken base pairs shows a sharp change as a function of T. We observe a temperature profile of sequencemore » dependent bubble formation similar to those measured by Zeng et al. Long nuclei acid molecules melt partially through the formations of bubbles. It is known that CG rich sequences melt at higher temperatures than AT rich sequences. The melting temperature, however, is not solely determined by the CG content, but by the sequence through base stacking and solvent interactions. Recently, models that incorporate the sequence and nonlinear dynamics of DNA double strands have shown that DNA exhibits a very rich dynamics. Recent extensions of the Bishop-Peyrard model show that fluctuations in the DNA structure lead to opening in localized regions, and that these regions in the DNA are associated with transcription initiation sites. 1D and 2D models of DNA may contain enough information about stacking and base pairing interactions, but lack the coupling between twisting, bending and base pair opening imposed by the double helical structure of DNA that all atom models easily describe. However, the complexity of the energy function used in all atom simulations (including solvent, ions, etc) does not allow for the description of DNA folding/unfolding events that occur in the microsecond time scale.« less

Reflection by absorbing periodically stratified media

NASA Astrophysics Data System (ADS)

Lekner, John

2014-03-01

Existing theory gives the optical properties of a periodically stratified medium in terms of a two by two matrix. This theory is valid also for absorbing media, because the matrix remains unimodular. The main effect of absorption is that the reflection (of either polarization) becomes independent of the number of periods N, and of the substrate properties, provided N exceeds a certain value which depends on the absorption. The s and p reflections are then given by simple formulae. The stop-band structure, which gives total reflection in bands of frequency and angle of incidence in the non-absorbing case, remains influential in weakly absorbing media, causing strong variations in reflectivity. The theory is applied to the frequency dependence of the normal-incidence reflectivity of a quarter-wave stack in which the high-index and low-index layers both absorb weakly. Analytical expressions are obtained for the frequency at which the reflectivity is maximum, the maximum reflectivity, and also for the reflectivity at the band edges of the stop band of the non-absorbing stack.

Correlation of RNA secondary structure statistics with thermodynamic stability and applications to folding.

PubMed

Wu, Johnny C; Gardner, David P; Ozer, Stuart; Gutell, Robin R; Ren, Pengyu

2009-08-28

The accurate prediction of the secondary and tertiary structure of an RNA with different folding algorithms is dependent on several factors, including the energy functions. However, an RNA higher-order structure cannot be predicted accurately from its sequence based on a limited set of energy parameters. The inter- and intramolecular forces between this RNA and other small molecules and macromolecules, in addition to other factors in the cell such as pH, ionic strength, and temperature, influence the complex dynamics associated with transition of a single stranded RNA to its secondary and tertiary structure. Since all of the factors that affect the formation of an RNAs 3D structure cannot be determined experimentally, statistically derived potential energy has been used in the prediction of protein structure. In the current work, we evaluate the statistical free energy of various secondary structure motifs, including base-pair stacks, hairpin loops, and internal loops, using their statistical frequency obtained from the comparative analysis of more than 50,000 RNA sequences stored in the RNA Comparative Analysis Database (rCAD) at the Comparative RNA Web (CRW) Site. Statistical energy was computed from the structural statistics for several datasets. While the statistical energy for a base-pair stack correlates with experimentally derived free energy values, suggesting a Boltzmann-like distribution, variation is observed between different molecules and their location on the phylogenetic tree of life. Our statistical energy values calculated for several structural elements were utilized in the Mfold RNA-folding algorithm. The combined statistical energy values for base-pair stacks, hairpins and internal loop flanks result in a significant improvement in the accuracy of secondary structure prediction; the hairpin flanks contribute the most.

Vibration and damping of laminated, composite-material plates including thickness-shear effects

NASA Technical Reports Server (NTRS)

Bert, C. W.; Siu, C. C.

1972-01-01

An analytical investigation of sinusoidally forced vibration of laminated, anisotropic plates including bending-stretching coupling, thickness-shear flexibility, all three types of inertia effects, and material damping is presented. In the analysis the effects of thickness-shear deformation are considered by the use of a shear correction factor K, analogous to that used by Mindlin for homogeneous plates. Two entirely different approaches for calculating the thickness-shear factor for a laminate are presented. Numerical examples indicate that the value of K depends on the layer properties and the stacking sequence of the laminate.

Interface adjustment and exchange coupling in the IrMn/NiFe system

NASA Astrophysics Data System (ADS)

Spizzo, F.; Tamisari, M.; Chinni, F.; Bonfiglioli, E.; Del Bianco, L.

2017-01-01

The exchange bias effect was investigated, in the 5-300 K temperature range, in samples of IrMn [100 Å]/NiFe [50 Å] (set A) and in samples with inverted layer-stacking sequence (set B), produced at room temperature by DC magnetron sputtering in a static magnetic field of 400 Oe. The samples of each set differ for the nominal thickness (tCu) of a Cu spacer, grown at the interface between the antiferromagnetic and ferromagnetic layers, which was varied between 0 and 2 Å. It has been found out that the Cu insertion reduces the values of the exchange field and of the coercivity and can also affect their thermal evolution, depending on the stack configuration. Indeed, the latter also determines a peculiar variation of the exchange bias properties with time, shown and discussed with reference to the samples without Cu of the two sets. The results have been explained considering that, in this system, the exchange coupling mechanism is ruled by the glassy magnetic behavior of the IrMn spins located at the interface with the NiFe layer. Varying the stack configuration and tCu results in a modulation of the structural and magnetic features of the interface, which ultimately affects the spins dynamics of the glassy IrMn interfacial component.

Investigations of the Electronic, Vibrational and Structural Properties of Single and Few-Layer Graphene

NASA Astrophysics Data System (ADS)

Lui, Chun Hung

Single and few-layer graphene (SLG and FLG) have stimulated great scientific interest because of their distinctive properties and potential for novel applications. In this dissertation, we investigate the mechanical, electronic and vibrational properties of these remarkable materials by various techniques, including atomic-force microscopy (AFM) and Raman, infrared (IR), and ultrafast optical spectroscopy. With respect to its mechanical properties, SLG is known to be capable of undergoing significant mechanical deformation. We have applied AFM to investigate how the morphology of SLG is influenced by the substrate on which it is deposited. We have found that SLG is strongly affected by the morphology of the underlying supporting surface. In particular, SLG deposited on atomically flat surfaces of mica substrates exhibits an ultraflat morphology, with height variation essentially indistinguishable from that observed for the surface of cleaved graphite. One of the most distinctive aspects of SLG is its spectrum of electronic excitations, with its characteristic linear energy-momentum dispersion relation. We have examined the dynamics of the corresponding Dirac fermions by optical emission spectroscopy. By analyzing the spectra of light emission induced in the spectral visible range by 30-femtosecond laser pulses, we find that the charge carriers in graphene cool by the emission of strongly coupled optical phonons in a few 10's of femtoseconds and thermalize among themselves even more rapidly. The charge carriers and the strongly coupled optical phonons are thus essentially in thermal equilibrium with one another on the picosecond time scale, but can be driven strongly out of equilibrium with the other phonons in the system. Temperatures exceeding 3000 K are achieved for the subsystem of the charge carriers and optical phonons under femtosecond laser excitation. While SLG exhibits remarkable physical properties, its few-layer counterparts are also of great interest. In particular, FLG can exist in various crystallographic stacking sequences, which strongly influence the material's electronic properties. We have developed an accurate and convenient method of characterizing stacking order in FLG using the lineshape of the Raman 2D-mode. Raman imaging allows us to visualize directly the spatial distribution of Bernal (ABA) and rhombohedral (ABC) stacking in trilayer and tetralayer graphene. We find that 15% of exfoliated graphene trilayers and tetralayers are comprised of micrometer-sized domains of rhombohedral stacking, rather than of usual Bernal stacking. The accurate identification of stacking domains in FLG allows us to investigate the influence of stacking order on the material's electronic properties. In particular, we have studied by means of IR spectroscopy the possibility of opening a band gap by the application of a strong perpendicular electric field in trilayer graphene. We observe an electrically tunable band gap exceeding 100 meV in ABC trilayers, while no band gap is found for ABA trilayers. We have also studied the influence of layer thickness and stacking order on the Raman response of the out-of-plane vibrations in FLG. We observe a Raman combination mode that involves the layer-breathing vibrations in FLG. This Raman mode is absent in SLG and exhibits a lineshape that depends sensitively on both the material's layer thickness and stacking sequence.

Hamiltonian approach to slip-stacking dynamics

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

Lee, S. Y.; Ng, K. Y.

Hamiltonian dynamics has been applied to study the slip-stacking dynamics. The canonical-perturbation method is employed to obtain the second-harmonic correction term in the slip-stacking Hamiltonian. The Hamiltonian approach provides a clear optimal method for choosing the slip-stacking parameter and improving stacking efficiency. The dynamics are applied specifically to the Fermilab Booster-Recycler complex. As a result, the dynamics can also be applied to other accelerator complexes.

Hamiltonian approach to slip-stacking dynamics

DOE PAGES

Lee, S. Y.; Ng, K. Y.

2017-06-29

Hamiltonian dynamics has been applied to study the slip-stacking dynamics. The canonical-perturbation method is employed to obtain the second-harmonic correction term in the slip-stacking Hamiltonian. The Hamiltonian approach provides a clear optimal method for choosing the slip-stacking parameter and improving stacking efficiency. The dynamics are applied specifically to the Fermilab Booster-Recycler complex. As a result, the dynamics can also be applied to other accelerator complexes.

Respiratory Plasticity Following Spinal Injury: Role of Chloride-Dependent Inhibitory Neurotransmission

DTIC Science & Technology

2015-10-01

compensation in unanesthetized rats. 15. SUBJECT TERMS Spinal Injury, Treatment , Intermittent hypoxia, rats, spontaneous recovery, induced recovery, rAIH, PKC...After immunofluoresence for KCC1/NKCC2, confocal z-stacks of cholera - toxin back-labeled phrenic motor neurons were made ipsilateral and contralateral...enhanced excitatory neurotransmission) also did not pan out, we suspect that the timing of rAIH treatment in our studies was not optimal. Indeed

Rhombohedral Multilayer Graphene: A Magneto-Raman Scattering Study.

PubMed

Henni, Younes; Ojeda Collado, Hector Pablo; Nogajewski, Karol; Molas, Maciej R; Usaj, Gonzalo; Balseiro, Carlos A; Orlita, Milan; Potemski, Marek; Faugeras, Clement

2016-06-08

Graphene layers are known to stack in two stable configurations, namely, ABA or ABC stacking, with drastically distinct electronic properties. Unlike the ABA stacking, little has been done to experimentally investigate the electronic properties of ABC graphene multilayers. Here, we report on the first magneto optical study of a large ABC domain in a graphene multilayer flake, with ABC sequences exceeding 17 graphene sheets. ABC-stacked multilayers can be fingerprinted with a characteristic electronic Raman scattering response, which persists even at room temperatures. Tracing the magnetic field evolution of the inter Landau level excitations from this domain gives strong evidence for the existence of a dispersionless electronic band near the Fermi level, characteristic of such stacking. Our findings present a simple yet powerful approach to probe ABC stacking in graphene multilayer flakes, where this highly degenerated band appears as an appealing candidate to host strongly correlated states.

Fresnel zone plate stacking in the intermediate field for high efficiency focusing in the hard X-ray regime

DOE PAGES

Gleber, Sophie -Charlotte; Wojcik, Michael; Liu, Jie; ...

2014-11-05

Focusing efficiency of Fresnel zone plates (FZPs) for X-rays depends on zone height, while the achievable spatial resolution depends on the width of the finest zones. FZPs with optimal efficiency and sub-100-nm spatial resolution require high aspect ratio structures which are difficult to fabricate with current technology especially for the hard X-ray regime. A possible solution is to stack several zone plates. To increase the number of FZPs within one stack, we first demonstrate intermediate-field stacking and apply this method by stacks of up to five FZPs with adjusted diameters. Approaching the respective optimum zone height, we maximized efficiencies formore » high resolution focusing at three different energies, 10, 11.8, and 25 keV.« less

Finite element analysis when orthogonal cutting of hybrid composite CFRP/Ti

NASA Astrophysics Data System (ADS)

Xu, Jinyang; El Mansori, Mohamed

2015-07-01

Hybrid composite, especially CFRP/Ti stack, is usually considered as an innovative structural configuration for manufacturing the key load-bearing components in modern aerospace industry. This paper originally proposed an FE model to simulate the total chip formation process dominated the hybrid cutting operation. The hybrid composite model was established based on three physical constituents, i.e., Ti constituent, interface and CFRP constituent. Different constitutive models and damage criteria were introduced to replicate the interrelated cutting behaviour of the stack material. The CFRP/Ti interface was modelled as a third phase through the concept of cohesive zone (CZ). Particular attention was made on the comparative studies of the influence of different cutting-sequence strategies on the machining responses induced in hybrid stack cutting. The numerical results emphasized the pivotal role of cutting-sequence strategy on the various machining induced responses including cutting-force generation, machined surface quality and induced interface damage.

Facies architecture and high resolution sequence stratigraphy of an aeolian, fluvial and shallow marine system in the Pennsylvanian Piauí Formation, Parnaíba Basin, Brazil

NASA Astrophysics Data System (ADS)

Vieira, Lucas Valadares; Scherer, Claiton Marlon dos Santos

2017-07-01

The Pennsylvanian Piauí Formation records the deposition of aeolian, fluvial and shallow marine systems accumulated in the cratonic sag Parnaíba basin. Characterization of the facies associations and sequence stratigraphic framework was done by detailed description and logging of outcrops. Six facies associations were recognized: aeolian dunes and interdunes, aeolian sandsheets, fluvial channels, tidally-influenced fluvial channels, shoreface and shoreface-shelf transition. Through correlation of stratigraphic surfaces, the facies associations were organized in system tracts, which formed eight high frequency depositional sequences, bounded by subaerial unconformities. These sequences are composed of a lowstand system tract (LST), that is aeolian-dominated or fluvial-dominated, a transgressive system tract (TST) that is formed by tidally-influenced fluvial channels and/or shoreface and shoreface-shelf transition deposits with retrogradational stacking, and a highstand system tract (HST), which is formed by shoreface-shelf transition and shoreface deposits with progradational stacking. Two low frequency cycles were determined by observing the stacking of the high frequency cycles. The Lower Sequence is characterized by aeolian deposits of the LST and an aggradational base followed by a progressive transgression, defining a general TST. The Upper Sequence is characterized by fluvial deposits and interfluve pedogenesis concurring with the aeolian deposits of the LST and records a subtle regression followed by transgression. The main control on sedimentation in the Piauí Formation was glacioeustasy, which was responsible for the changes in relative sea level. Even though, climate changes were associated with glacioeustatic phases and influenced the aeolian and fluvial deposition.

Design and Manufacturing of a Novel Shear Thickening Fluid Composite (STFC) with Enhanced out-of-Plane Properties and Damage Suppression

NASA Astrophysics Data System (ADS)

Pinto, F.; Meo, M.

2017-06-01

The ability to absorb a large amount of energy during an impact event without generating critical damages represents a key feature of new generation composite systems. Indeed, the intrinsic layered nature of composite materials allows the embodiment of specific hybrid plies within the stacking sequence that can be exploited to increase impact resistance and damping of the entire structure without dramatic weight increase. This work is based on the development of an impact-resistant hybrid composite obtained by including a thin layer of Non-Newtonian silica based fluid in a carbon fibres reinforced polymer (CFRP) laminate. This hybrid phase is able to respond to an external solicitation by activating an order-disorder transition that thickens the fluid increasing its viscosity, hence dissipating the energy impact without any critical failure. Several Shear Thickening Fluids (STFs) were manufactured by changing the dimensions of the particles that constitute the disperse phase and their concentrations into the continuous phase. The dynamic viscosity of the different STFs was evaluated via rheometric tests, observing both shear thinning and shear thickening effects depending on the concentration of silica particles. The solutions were then embedded as an active layer within the stacking sequence to manufacture the hybrid CFRP laminates with different embedded STFs. Free vibration tests were carried out in order to assess the damping properties of the different laminates, while low velocity impact tests were used to evaluate their impact properties. Results indicate that the presence of the non-Newtonian fluid is able to absorb up to 45 % of the energy during an impact event for impacts at 2.5 m/s depending on the different concentrations and particles dimensions. These results were confirmed via C-Scan analyses to assess the extent of the internal delamination.

Progress of targeted genome modification approaches in higher plants.

PubMed

Cardi, Teodoro; Neal Stewart, C

2016-07-01

Transgene integration in plants is based on illegitimate recombination between non-homologous sequences. The low control of integration site and number of (trans/cis)gene copies might have negative consequences on the expression of transferred genes and their insertion within endogenous coding sequences. The first experiments conducted to use precise homologous recombination for gene integration commenced soon after the first demonstration that transgenic plants could be produced. Modern transgene targeting categories used in plant biology are: (a) homologous recombination-dependent gene targeting; (b) recombinase-mediated site-specific gene integration; (c) oligonucleotide-directed mutagenesis; (d) nuclease-mediated site-specific genome modifications. New tools enable precise gene replacement or stacking with exogenous sequences and targeted mutagenesis of endogeneous sequences. The possibility to engineer chimeric designer nucleases, which are able to target virtually any genomic site, and use them for inducing double-strand breaks in host DNA create new opportunities for both applied plant breeding and functional genomics. CRISPR is the most recent technology available for precise genome editing. Its rapid adoption in biological research is based on its inherent simplicity and efficacy. Its utilization, however, depends on available sequence information, especially for genome-wide analysis. We will review the approaches used for genome modification, specifically those for affecting gene integration and modification in higher plants. For each approach, the advantages and limitations will be noted. We also will speculate on how their actual commercial development and implementation in plant breeding will be affected by governmental regulations.

Mismatch and G-Stack Modulated Probe Signals on SNP Microarrays

PubMed Central

Binder, Hans; Fasold, Mario; Glomb, Torsten

2009-01-01

Background Single nucleotide polymorphism (SNP) arrays are important tools widely used for genotyping and copy number estimation. This technology utilizes the specific affinity of fragmented DNA for binding to surface-attached oligonucleotide DNA probes. We analyze the variability of the probe signals of Affymetrix GeneChip SNP arrays as a function of the probe sequence to identify relevant sequence motifs which potentially cause systematic biases of genotyping and copy number estimates. Methodology/Principal Findings The probe design of GeneChip SNP arrays enables us to disentangle different sources of intensity modulations such as the number of mismatches per duplex, matched and mismatched base pairings including nearest and next-nearest neighbors and their position along the probe sequence. The effect of probe sequence was estimated in terms of triple-motifs with central matches and mismatches which include all 256 combinations of possible base pairings. The probe/target interactions on the chip can be decomposed into nearest neighbor contributions which correlate well with free energy terms of DNA/DNA-interactions in solution. The effect of mismatches is about twice as large as that of canonical pairings. Runs of guanines (G) and the particular type of mismatched pairings formed in cross-allelic probe/target duplexes constitute sources of systematic biases of the probe signals with consequences for genotyping and copy number estimates. The poly-G effect seems to be related to the crowded arrangement of probes which facilitates complex formation of neighboring probes with at minimum three adjacent G's in their sequence. Conclusions The applied method of “triple-averaging” represents a model-free approach to estimate the mean intensity contributions of different sequence motifs which can be applied in calibration algorithms to correct signal values for sequence effects. Rules for appropriate sequence corrections are suggested. PMID:19924253

Feasibility of free-breathing dynamic contrast-enhanced MRI of gastric cancer using a golden-angle radial stack-of-stars VIBE sequence: comparison with the conventional contrast-enhanced breath-hold 3D VIBE sequence.

PubMed

Li, Huan-Huan; Zhu, Hui; Yue, Lei; Fu, Yi; Grimm, Robert; Stemmer, Alto; Fu, Cai-Xia; Peng, Wei-Jun

2018-05-01

To investigate the feasibility and diagnostic value of free-breathing, radial, stack-of-stars three-dimensional (3D) gradient echo (GRE) sequence ("golden angle") on dynamic contrast-enhanced (DCE) MRI of gastric cancer. Forty-three gastric cancer patients were divided into cooperative and uncooperative groups. Respiratory fluctuation was observed using an abdominal respiratory gating sensor. Those who breath-held for more than 15 s were placed in the cooperative group and the remainder in the uncooperative group. The 3-T MRI scanning protocol included 3D GRE and conventional breath-hold VIBE (volume-interpolated breath-hold examination) sequences, comparing images quantitatively and qualitatively. DCE-MRI parameters from VIBE images of normal gastric wall and malignant lesions were compared. For uncooperative patients, 3D GRE scored higher qualitatively, and had higher SNRs (signal-to-noise ratios) and CNRs (contrast-to-noise ratios) than conventional VIBE quantitatively. Though 3D GRE images scored lower in qualitative parameters compared with conventional VIBE for cooperative patients, it provided images with fewer artefacts. DCE parameters differed significantly between normal gastric wall and lesions, with higher Ve (extracellular volume) and lower Kep (reflux constant) in gastric cancer. The free-breathing, golden-angle, radial stack-of-stars 3D GRE technique is feasible for DCE-MRI of gastric cancer. Dynamic enhanced images can be used for quantitative analysis of this malignancy. • Golden-angle radial stack-of-stars VIBE aids gastric cancer MRI diagnosis. • The 3D GRE technique is suitable for patients unable to suspend respiration. • Method scored higher in the qualitative evaluation for uncooperative patients. • The technique produced images with fewer artefacts than conventional VIBE sequence. • Dynamic enhanced images can be used for quantitative analysis of gastric cancer.

Improved Durability of SOEC Stacks for High Temperature Electrolysis

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

James E. O'Brien; Robert C. O'Brien; Xiaoyu Zhang

2013-01-01

High temperature steam electrolysis is a promising technology for efficient and sustainable large-scale hydrogen production. Solid oxide electrolysis cells (SOECs) are able to utilize high temperature heat and electric power from advanced high-temperature nuclear reactors or renewable sources to generate carbon-free hydrogen at large scale. However, long term durability of SOECs needs to be improved significantly before commercialization of this technology can be realized. A degradation rate of 1%/khr or lower is proposed as a threshold value for commercialization of this technology. Solid oxide electrolysis stack tests have been conducted at Idaho National Laboratory to demonstrate recent improvements in long-termmore » durability of SOECs. Electrolyte-supported and electrode-supported SOEC stacks were provided by Ceramatec Inc. and Materials and Systems Research Inc. (MSRI), respectively, for these tests. Long-term durability tests were generally operated for a duration of 1000 hours or more. Stack tests based on technologies developed at Ceramatec and MSRI have shown significant improvement in durability in the electrolysis mode. Long-term degradation rates of 3.2%/khr and 4.6%/khr were observed for MSRI and Ceramatec stacks, espectively. One recent Ceramatec stack even showed negative degradation (performance improvement) over 1900 hours of operation. Optimization of electrode materials, interconnect coatings, and electrolyte-electrode interface microstructures contribute to better durability of SOEC stacks.« less

Two-Dimensional Heterostructure as a Platform for Surface-Enhanced Raman Scattering.

PubMed

Tan, Yang; Ma, Linan; Gao, Zhibin; Chen, Ming; Chen, Feng

2017-04-12

Raman enhancement on a flat nonmetallic surface has attracted increasing attention, ever since the discovery of graphene enhanced Raman scattering. Recently, diverse two-dimensional layered materials have been applied as a flat surface for the Raman enhancement, attributed to different mechanisms. Looking beyond these isolated materials, atomic layers can be reassembled to design a heterostructure stacked layer by layer with an arbitrary chosen sequence, which allows the flow of charge carriers between neighboring layers and offers novel functionalities. Here, we demonstrate the heterostructure as a novel Raman enhancement platform. The WSe 2 (W) monolayer and graphene (G) were stacked together to form a heterostructure with an area of 10 mm × 10 mm. Heterostructures with different stacked structuress are used as platforms for the enhanced Raman scattering, including G/W, W/G, G/W/G/W, and W/G/G/W. On the surface of the heterostructure, the intensity of the Raman scattering is much stronger compared with isolated layers, using the copper phthalocyanine (CuPc) molecule as a probe. It is found that the Raman enhancement effect on heterostructures depends on stacked methods. Phonon modes of CuPc have the strongest enhancement on G/W. W/G and W/G/G/W have a stronger enhancement than that on the isolated WSe 2 monolayer, while lower than the graphene monolayer. The G/W/G/W/substrate demonstrated a comparable Raman enhancement effect than the G/W/substrate. These differences are due to the different interlayer couplings in heterostructures related to electron transition probability rates, which are further proved by first-principle calculations and probe-pump measurements.

RNAdualPF: software to compute the dual partition function with sample applications in molecular evolution theory.

PubMed

Garcia-Martin, Juan Antonio; Bayegan, Amir H; Dotu, Ivan; Clote, Peter

2016-10-19

RNA inverse folding is the problem of finding one or more sequences that fold into a user-specified target structure s 0 , i.e. whose minimum free energy secondary structure is identical to the target s 0 . Here we consider the ensemble of all RNA sequences that have low free energy with respect to a given target s 0 . We introduce the program RNAdualPF, which computes the dual partition function Z ∗ , defined as the sum of Boltzmann factors exp(-E(a,s 0 )/RT) of all RNA nucleotide sequences a compatible with target structure s 0 . Using RNAdualPF, we efficiently sample RNA sequences that approximately fold into s 0 , where additionally the user can specify IUPAC sequence constraints at certain positions, and whether to include dangles (energy terms for stacked, single-stranded nucleotides). Moreover, since we also compute the dual partition function Z ∗ (k) over all sequences having GC-content k, the user can require that all sampled sequences have a precise, specified GC-content. Using Z ∗ , we compute the dual expected energy 〈E ∗ 〉, and use it to show that natural RNAs from the Rfam 12.0 database have higher minimum free energy than expected, thus suggesting that functional RNAs are under evolutionary pressure to be only marginally thermodynamically stable. We show that C. elegans precursor microRNA (pre-miRNA) is significantly non-robust with respect to mutations, by comparing the robustness of each wild type pre-miRNA sequence with 2000 [resp. 500] sequences of the same GC-content generated by RNAdualPF, which approximately [resp. exactly] fold into the wild type target structure. We confirm and strengthen earlier findings that precursor microRNAs and bacterial small noncoding RNAs display plasticity, a measure of structural diversity. We describe RNAdualPF, which rapidly computes the dual partition function Z ∗ and samples sequences having low energy with respect to a target structure, allowing sequence constraints and specified GC-content. Using different inverse folding software, another group had earlier shown that pre-miRNA is mutationally robust, even controlling for compositional bias. Our opposite conclusion suggests a cautionary note that computationally based insights into molecular evolution may heavily depend on the software used. C/C++-software for RNAdualPF is available at http://bioinformatics.bc.edu/clotelab/RNAdualPF .

Observing Holliday junction branch migration one step at a time

NASA Astrophysics Data System (ADS)

Ha, Taekjip

2004-03-01

During genetic recombination, two homologous DNA molecules undergo strand exchange to form a four-way DNA (Holliday) junction and the recognition and processing of this species by branch migration and junction resolving enzymes determine the outcome. We have used single molecule fluorescence techniques to study two intrinsic structural dynamics of the Holliday junction, stacking conformer transitions and spontaneous branch migration. Our studies show that the dynamics of branch migration, resolved with one base pair resolution, is determined by the stability of conformers which in turn depends on the local DNA sequences. Therefore, the energy landscape of Holliday junction branch migation is not uniform, but is rugged.

Launch Architecture Impact on Ascent Abort and Crew Survival

NASA Technical Reports Server (NTRS)

Mathias, Donovan L.; Lawrence, Scott L.

2006-01-01

A study was performed to assess the effect of booster configuration on the ascent abort process. A generic abort event sequence was created and booster related risk drivers were identified. Three model boosters were considered in light of the risk drivers: a solid rocket motor configuration, a side mount combination solid and liquid configuration, and a stacked liquid configuration. The primary risk drivers included explosive fireball, overpressure, and fragment effects and booster-crew module re-contact. Risk drivers that were not specifically booster dependent were not addressed. The solid rocket configuration had the most benign influence on an abort while the side mount architecture provided the most challenging abort environment.

On thermal edge effects in composite laminates

NASA Technical Reports Server (NTRS)

Herakovich, C. T.

1976-01-01

Results are presented for a finite-element investigation of the combined influence of edge effects due to mechanical and thermal mismatch in composite laminates with free edges. Laminates of unidirectional boron/epoxy symmetrically bonded to sheets of aluminum and titanium were studied. It is shown that interlaminar thermal stresses may be more significant than the interlaminar stresses due to loading only. In addition, the stresses due to thermal mismatch may be of the same sign as those due to Poisson's mismatch or they may be of opposite sign depending upon material properties, stacking sequence, and direction of loading. The paper concludes with a brief discussion of thermal stresses in all-composite laminates.

Asymmetric transmission and optical low-pass filtering in a stack of random media with graded transport mean free path

NASA Astrophysics Data System (ADS)

Bingi, J.; Hemalatha, M.; Anita, R. W.; Vijayan, C.; Murukeshan, V. M.

2015-11-01

Light transport and the physical phenomena related to light propagation in random media are very intriguing, they also provide scope for new paradigms of device functionality, most of which remain unexplored. Here we demonstrate, experimentally and by simulation, a novel kind of asymmetric light transmission (diffusion) in a stack of random media (SRM) with graded transport mean free path. The structure is studied in terms of transmission, of photons propagated through and photons generated within the SRM. It is observed that the SRM exhibits asymmetric transmission property with a transmission contrast of 0.25. In addition, it is shown that the SRM works as a perfect optical low-pass filter with a well-defined cutoff wavelength at 580 nm. Further, the photons generated within the SRM found to exhibit functionality similar to an optical diode with a transmission contrast of 0.62. The basis of this functionality is explained in terms of wavelength dependent photon randomization and the graded transport mean free path of SRM.

Le graben de l'Anti-Atlas occidental (Maroc) : contrôle tectonique de la paléogéographie et des séquences au Cambrien inférieurThe Lower-Cambrian western Anti-Atlasic graben: tectonic control of palaeogeography and sequential organisation

NASA Astrophysics Data System (ADS)

Benssaou, Mohammed; Hamoumi, Naı̈ma

2003-03-01

In the Moroccan western Anti-Atlas, the combined extensive tectonic events with a long-term sea-level rise is the main factor on building vertical stacking transgressive-regressive sequences. In the Ait Abdallah-Boussafene axis, the subsidence processes, relayed by a brutal platform tilting generated an elongated NE-SW graben. This is an evidence of the persistence of the Anti-Atlasic rifting process during the last part of the Lower-Cambrian succession.

Method and apparatus for pulse stacking

DOEpatents

Harney, Robert C.

1977-01-01

An active pulse stacking system including an etalon and an electro-optical modulator apparatus combined with a pulse-forming network capable of forming and summing a sequence of time-delayed optical waveforms arising from, for example, a single laser pulse. The Pockels cell pulse stacker may attain an efficiency of about 2.6% while providing a controllable faster-than-exponential time rise in transmitted pulse intensity.

Develop and test fuel cell powered on-site integrated total energy systems. Phase 3: Full-scale power plant development

NASA Technical Reports Server (NTRS)

Kaufman, A.; Pudick, S.; Wang, C. L.; Werth, J.; Whelan, J. A.

1984-01-01

Two 25-cell, 13 inch x 23 inch (4kW) stacks were started up to evaluate the reliability of component and stack technology developed through the end of 1983. Both stacks started up well and are running satisfactorily on hydrogen-air after 1900 hours and 800 hours, respectively. A synthetic-reformat mixing station is nearing completion, and both stacks will be operated on reformate fuel. A stack-protection control system was placed in operation for Stack No. 2, and a similar set-up is in preparation for Stack No. 1. This system serves to change operating conditions or shut the stack down to avoid deleterious effects from nonstack-related upsets. The capability will greatly improve changes of obtaining meaningful long-term test data.

Fast stack activation procedure and effective long-term storage for high-performance polymer electrolyte membrane fuel cell

NASA Astrophysics Data System (ADS)

Yang, Seung Yong; Seo, Dong-Jun; Kim, Myeong-Ri; Seo, Min Ho; Hwang, Sun-Mi; Jung, Yong-Min; Kim, Beom-Jun; Yoon, Young-Gi; Han, Byungchan; Kim, Tae-Young

2016-10-01

Time-saving stack activation and effective long-term storage are one of most important issues that must be resolved for the commercialization of polymer electrolyte membrane fuel cell (PEMFC). Herein, we developed the cost-effective stack activation method to finish the whole activation within 30 min and the long-term storage method by using humidified N2 without any significant decrease in cell's performance for 30 days. Specifically, the pre-activation step with the direct injection of DI water into the stack and storage at 65 or 80 °C for 2 h increases the distinctive phase separation between the hydrophobic and hydrophilic regions in Nafion membrane, which significantly reduces the total activation time within 30 min. Additionally, the long-term storage with humidified N2 has no effect on the Pt oxidation and drying of Nafion membrane for 30 days due to its exergonic reaction in the cell. As a result, the high water content in Nafion membrane and the decrease of Pt oxidation are the critical factors that have a strong influence on the activation and long-term storage for high-performance PEMFC.

Electronic Interactions of Michler's Ketone with DNA Bases in Synthetic Hairpins.

PubMed

Jalilov, Almaz S; Young, Ryan M; Eaton, Samuel W; Wasielewski, Michael R; Lewis, Frederick D

2015-01-01

The mechanism and dynamics of photoinduced electron transfer in two families of DNA hairpins possessing Michler's ketone linkers have been investigated by means of steady state and time-resolved transient absorption and emission spectroscopies. The excited state behavior of the diol linker employed in hairpin synthesis is similar to that of Michler's ketone in methanol solution. Hairpins possessing only a Michler's ketone linker undergo fast singlet state charge separation and charge recombination with an adjacent purine base, attributed to well-stacked ground state conformations, and intersystem crossing to the triplet state, attributed to poorly stacked ground state conformations. The failure of the triplet to undergo electron transfer reactions on the 7 ns time scale of our measurements is attributed to the low triplet energy and reduction potential of the twisted triplet state. Hairpins possessing both a Michler's ketone linker and a perylenediimide base surrogate separated by four base pairs undergo photoinduced hole transport from the diimide to Michler's ketone upon excitation of the diimide. The efficiency of hole transport is dependent upon the sequence of the intervening purine bases. © 2014 The American Society of Photobiology.

Stack gas treatment

DOEpatents

Reeves, Adam A.

1977-04-12

Hot stack gases transfer contained heat to a gravity flow of pebbles treated with a catalyst, cooled stacked gases and a sulfuric acid mist is withdrawn from the unit, and heat picked up by the pebbles is transferred to air for combustion or other process. The sulfuric acid (or sulfur, depending on the catalyst) is withdrawn in a recovery unit.

Zero-Copy Objects System

NASA Technical Reports Server (NTRS)

Burleigh, Scott C.

2011-01-01

Zero-Copy Objects System software enables application data to be encapsulated in layers of communication protocol without being copied. Indirect referencing enables application source data, either in memory or in a file, to be encapsulated in place within an unlimited number of protocol headers and/or trailers. Zero-copy objects (ZCOs) are abstract data access representations designed to minimize I/O (input/output) in the encapsulation of application source data within one or more layers of communication protocol structure. They are constructed within the heap space of a Simple Data Recorder (SDR) data store to which all participating layers of the stack must have access. Each ZCO contains general information enabling access to the core source data object (an item of application data), together with (a) a linked list of zero or more specific extents that reference portions of this source data object, and (b) linked lists of protocol header and trailer capsules. The concatenation of the headers (in ascending stack sequence), the source data object extents, and the trailers (in descending stack sequence) constitute the transmitted data object constructed from the ZCO. This scheme enables a source data object to be encapsulated in a succession of protocol layers without ever having to be copied from a buffer at one layer of the protocol stack to an encapsulating buffer at a lower layer of the stack. For large source data objects, the savings in copy time and reduction in memory consumption may be considerable.

Thermal buckling optimisation of composite plates using firefly algorithm

NASA Astrophysics Data System (ADS)

Kamarian, S.; Shakeri, M.; Yas, M. H.

2017-07-01

Composite plates play a very important role in engineering applications, especially in aerospace industry. Thermal buckling of such components is of great importance and must be known to achieve an appropriate design. This paper deals with stacking sequence optimisation of laminated composite plates for maximising the critical buckling temperature using a powerful meta-heuristic algorithm called firefly algorithm (FA) which is based on the flashing behaviour of fireflies. The main objective of present work was to show the ability of FA in optimisation of composite structures. The performance of FA is compared with the results reported in the previous published works using other algorithms which shows the efficiency of FA in stacking sequence optimisation of laminated composite structures.

Determining the semantic similarities among Gene Ontology terms.

PubMed

Taha, Kamal

2013-05-01

We present in this paper novel techniques that determine the semantic relationships among GeneOntology (GO) terms. We implemented these techniques in a prototype system called GoSE, which resides between user application and GO database. Given a set S of GO terms, GoSE would return another set S' of GO terms, where each term in S' is semantically related to each term in S. Most current research is focused on determining the semantic similarities among GO ontology terms based solely on their IDs and proximity to one another in the GO graph structure, while overlooking the contexts of the terms, which may lead to erroneous results. The context of a GO term T is the set of other terms, whose existence in the GO graph structure is dependent on T. We propose novel techniques that determine the contexts of terms based on the concept of existence dependency. We present a stack-based sort-merge algorithm employing these techniques for determining the semantic similarities among GO terms.We evaluated GoSE experimentally and compared it with three existing methods. The results of measuring the semantic similarities among genes in KEGG and Pfam pathways retrieved from the DBGET and Sanger Pfam databases, respectively, have shown that our method outperforms the other three methods in recall and precision.

Structures of Bacterial Biosynthetic Arginine Decarboxylases

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

F Forouhar; S Lew; J Seetharaman

2011-12-31

Biosynthetic arginine decarboxylase (ADC; also known as SpeA) plays an important role in the biosynthesis of polyamines from arginine in bacteria and plants. SpeA is a pyridoxal-5'-phosphate (PLP)-dependent enzyme and shares weak sequence homology with several other PLP-dependent decarboxylases. Here, the crystal structure of PLP-bound SpeA from Campylobacter jejuni is reported at 3.0 {angstrom} resolution and that of Escherichia coli SpeA in complex with a sulfate ion is reported at 3.1 {angstrom} resolution. The structure of the SpeA monomer contains two large domains, an N-terminal TIM-barrel domain followed by a {beta}-sandwich domain, as well as two smaller helical domains. Themore » TIM-barrel and {beta}-sandwich domains share structural homology with several other PLP-dependent decarboxylases, even though the sequence conservation among these enzymes is less than 25%. A similar tetramer is observed for both C. jejuni and E. coli SpeA, composed of two dimers of tightly associated monomers. The active site of SpeA is located at the interface of this dimer and is formed by residues from the TIM-barrel domain of one monomer and a highly conserved loop in the {beta}-sandwich domain of the other monomer. The PLP cofactor is recognized by hydrogen-bonding, {pi}-stacking and van der Waals interactions.« less

Electricity generation and microbial community in response to short-term changes in stack connection of self-stacked submersible microbial fuel cell powered by glycerol.

PubMed

Zhao, Nannan; Angelidaki, Irini; Zhang, Yifeng

2017-02-01

Stack connection (i.e., in series or parallel) of microbial fuel cell (MFC) is an efficient way to boost the power output for practical application. However, there is little information available on short-term changes in stack connection and its effect on the electricity generation and microbial community. In this study, a self-stacked submersible microbial fuel cell (SSMFC) powered by glycerol was tested to elucidate this important issue. In series connection, the maximum voltage output reached to 1.15 V, while maximum current density was 5.73 mA in parallel. In both connections, the maximum power density increased with the initial glycerol concentration. However, the glycerol degradation was even faster in parallel connection. When the SSMFC was shifted from series to parallel connection, the reactor reached to a stable power output without any lag phase. Meanwhile, the anodic microbial community compositions were nearly stable. Comparatively, after changing parallel to series connection, there was a lag period for the system to get stable again and the microbial community compositions became greatly different. This study is the first attempt to elucidate the influence of short-term changes in connection on the performance of MFC stack, and could provide insight to the practical utilization of MFC. Copyright © 2016 Elsevier Ltd. All rights reserved.

Seismic data enhancement and regularization using finite offset Common Diffraction Surface (CDS) stack

NASA Astrophysics Data System (ADS)

Garabito, German; Cruz, João Carlos Ribeiro; Oliva, Pedro Andrés Chira; Söllner, Walter

2017-01-01

The Common Reflection Surface stack is a robust method for simulating zero-offset and common-offset sections with high accuracy from multi-coverage seismic data. For simulating common-offset sections, the Common-Reflection-Surface stack method uses a hyperbolic traveltime approximation that depends on five kinematic parameters for each selected sample point of the common-offset section to be simulated. The main challenge of this method is to find a computationally efficient data-driven optimization strategy for accurately determining the five kinematic stacking parameters on which each sample of the stacked common-offset section depends. Several authors have applied multi-step strategies to obtain the optimal parameters by combining different pre-stack data configurations. Recently, other authors used one-step data-driven strategies based on a global optimization for estimating simultaneously the five parameters from multi-midpoint and multi-offset gathers. In order to increase the computational efficiency of the global optimization process, we use in this paper a reduced form of the Common-Reflection-Surface traveltime approximation that depends on only four parameters, the so-called Common Diffraction Surface traveltime approximation. By analyzing the convergence of both objective functions and the data enhancement effect after applying the two traveltime approximations to the Marmousi synthetic dataset and a real land dataset, we conclude that the Common-Diffraction-Surface approximation is more efficient within certain aperture limits and preserves at the same time a high image accuracy. The preserved image quality is also observed in a direct comparison after applying both approximations for simulating common-offset sections on noisy pre-stack data.

Scale dependant compensational stacking of channelized sedimentary deposits

NASA Astrophysics Data System (ADS)

Wang, Y.; Straub, K. M.; Hajek, E. A.

2010-12-01

Compensational stacking, the tendency for sediment transport system to preferentially fill topographic lows, thus smoothing out topographic relief is a concept used in the interpretation of the stratigraphic record. Recently, a metric was developed to quantify the strength of compensation in sedimentary basins by comparing observed stacking patterns to what would be expected from simple, uncorrelated stacking. This method uses the rate of decay of spatial variability in sedimentation between picked depositional horizons with increasing vertical stratigraphic averaging distance. We explore how this metric varies as a function of stratigraphic scale using data from physical experiments, stratigraphy exposed in outcrops and numerical models. In an experiment conducted at Tulane University’s Sediment Dynamics Laboratory, the topography of a channelized delta formed by weakly cohesive sediment was monitored along flow-perpendicular transects at a high temporal resolution relative to channel kinematics. Over the course of this experiment a uniform relative subsidence pattern, designed to isolate autogenic processes, resulted in the construction of a stratigraphic package that is 25 times as thick as the depth of the experimental channels. We observe a scale-dependence on the compensational stacking of deposits set by the system’s avulsion time-scale. Above the avulsion time-scale deposits stack purely compensationally, but below this time-scale deposits stack somewhere between randomly and deterministically. The well-exposed Ferris Formation (Cretaceous/Paleogene, Hanna Basin, Wyoming, USA) also shows scale-dependant stratigraphic organization which appears to be set by an avulsion time-scale. Finally, we utilize simple object-based models to illustrate how channel avulsions influence compensation in alluvial basins.

Thermodynamic contributions for the incorporation of GTA triplets within canonical TAT/TAT and C+GC/C+GC base-triplet stacks of DNA triplexes.

PubMed

Soto, Ana Maria; Marky, Luis A

2002-10-15

Nucleic acid triple helices may be used in the control of gene expression. One limitation of using triplex-forming oligonucleotides as therapeutic agents is that their target sequences are limited to homopurine tracts. To increase the repertoire of sequences that can be targeted, it has been postulated that a guanine can target a thymidine forming a stable GTA mismatch triplet. In this work, we have used a combination of optical and calorimetric techniques to determine thermodynamic unfolding profiles of two triplexes containing a single GTA triplet, d(A(3)TA(3)C(5)T(3)AT(3)C(5)T(3)GT(3)) (ATA) and d(AGTGAC(5)TCACTC(5)TCGCT) (GTG), and their control triplexes, d(A(7)C(5)T(7)C(5)T(7)) (TAT7) and d(AGAGAC(5)TCTCTC(5)TCTCT) (AG5T). In general, the presence of a GTA mismatch in DNA triplexes is destabilizing; however, this destabilization is greater when placed in a C(+)GC/C(+)GC base-triplet stack than between a TAT/TAT stack. These destabilizations are accompanied by a reduced unfolding enthalpy of approximately 10 kcal/mol, suggesting a decrease in the base stacking contributions surrounding the mismatch. Relative to their corresponding control triplexes, the folding of ATA is accompanied by a lower counterion uptake and a similar proton uptake, while GTG folding is accompanied by an increase in the counterion and proton uptakes. These effects are consistent with the observed decrease in stacking interactions. The overall results indicate that the main difficulty of targeting pyrimidine interruptions is that the decrease in stacking contributions, due to the incorporation of a GTA mismatch, affects the stability of the neighboring base triplets. This suggests that nucleotide analogues that increase the strength of these base-triplet stacks will result in a more effective targeting of pyrimidine interruptions.

Visualization of endosome dynamics in living nerve terminals with four-dimensional fluorescence imaging.

PubMed

Stewart, Richard S; Kiss, Ilona M; Wilkinson, Robert S

2014-04-16

Four-dimensional (4D) light imaging has been used to study behavior of small structures within motor nerve terminals of the thin transversus abdominis muscle of the garter snake. Raw data comprises time-lapse sequences of 3D z-stacks. Each stack contains 4-20 images acquired with epifluorescence optics at focal planes separated by 400-1,500 nm. Steps in the acquisition of image stacks, such as adjustment of focus, switching of excitation wavelengths, and operation of the digital camera, are automated as much as possible to maximize image rate and minimize tissue damage from light exposure. After acquisition, a set of image stacks is deconvolved to improve spatial resolution, converted to the desired 3D format, and used to create a 4D "movie" that is suitable for variety of computer-based analyses, depending upon the experimental data sought. One application is study of the dynamic behavior of two classes of endosomes found in nerve terminals-macroendosomes (MEs) and acidic endosomes (AEs)-whose sizes (200-800 nm for both types) are at or near the diffraction limit. Access to 3D information at each time point provides several advantages over conventional time-lapse imaging. In particular, size and velocity of movement of structures can be quantified over time without loss of sharp focus. Examples of data from 4D imaging reveal that MEs approach the plasma membrane and disappear, suggesting that they are exocytosed rather than simply moving vertically away from a single plane of focus. Also revealed is putative fusion of MEs and AEs, by visualization of overlap between the two dye-containing structures as viewed in each three orthogonal projections.

Determination of low-frequency normal modes and structure coefficients using optimal sequence stacking method and autoregressive method in frequency domain

NASA Astrophysics Data System (ADS)

Majstorovic, J.; Rosat, S.; Lambotte, S.; Rogister, Y. J. G.

2017-12-01

Although there are numerous studies about 3D density Earth model, building an accurate one is still an engaging challenge. One procedure to refine global 3D Earth density models is based on unambiguous measurements of Earth's normal mode eigenfrequencies. To have unbiased eigenfrequency measurements one needs to deal with a variety of time records quality and especially different noise sources, while standard approaches usually include signal processing methods such as Fourier transform. Here we present estimate of complex eigenfrequencies and structure coefficients for several modes below 1 mHz (0S2, 2S1, etc.). Our analysis is performed in three steps. The first step includes the use of stacking methods to enhance specific modes of interest above the observed noise level. Out of three trials the optimal sequence estimation turned out to be the foremost compared to the spherical harmonic stacking method and receiver strip method. In the second step we apply an autoregressive method in the frequency domain to estimate complex eigenfrequencies of target modes. In the third step we apply the phasor walkout method to test and confirm our eigenfrequencies. Before conducting an analysis of time records, we evaluate how the station distribution and noise levels impact the estimate of eigenfrequencies and structure coefficients by using synthetic seismograms calculated for a 3D realistic Earth model, which includes Earth's ellipticity and lateral heterogeneity. Synthetic seismograms are computed by means of normal mode summation using self-coupling and cross-coupling of modes up to 1 mHz. Eventually, the methods tested on synthetic data are applied to long-period seismometer and superconducting gravimeter data recorded after six mega-earthquakes of magnitude greater than 8.3. Hence, we propose new estimates of structure coefficients dependent on the density variations.

X-ray and neutron total scattering analysis of Hy·(Bi0.2Ca0.55Sr0.25)(Ag0.25Na0.75)Nb3O10·xH2O perovskite nanosheet booklets with stacking disorder

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

Metz, Peter; Koch, Robert; Cladek, Bernadette

Ion-exchanged Aurivillius materials form perovskite nanosheet booklets wherein well-defined bi-periodic sheets, with ~11.5 Å thickness, exhibit extensive stacking disorder. The perovskite layer contents were defined initially using combined synchrotron X-ray and neutron Rietveld refinement of the parent Aurivillius structure. The structure of the subsequently ion-exchanged material, which is disordered in its stacking sequence, is analyzed using both pair distribution function (PDF) analysis and recursive method simulations of the scattered intensity. Combined X-ray and neutron PDF refinement of supercell stacking models demonstrates sensitivity of the PDF to both perpendicular and transverse stacking vector components. Further, hierarchical ensembles of stacking models weightedmore » by a standard normal distribution are demonstrated to improve PDF fit over 1–25 Å. Recursive method simulations of the X-ray scattering profile demonstrate agreement between the real space stacking analysis and more conventional reciprocal space methods. The local structure of the perovskite sheet is demonstrated to relax only slightly from the Aurivillius structure after ion exchange.« less

Structure of ice crystallized from supercooled water

PubMed Central

Malkin, Tamsin L.; Murray, Benjamin J.; Brukhno, Andrey V.; Anwar, Jamshed; Salzmann, Christoph G.

2012-01-01

The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. At ambient conditions, ice is considered to exist in two crystalline forms: stable hexagonal ice and metastable cubic ice. Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I. Stacking disorder and stacking faults have been reported earlier for metastable ice I, but only for ice crystallizing in mesopores and in samples recrystallized from high-pressure ice phases rather than in water droplets. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder. These findings highlight the need to reevaluate the physical and thermodynamic properties of this metastable ice as a function of the nature and extent of stacking disorder using well-characterized samples. PMID:22232652

Structure of ice crystallized from supercooled water.

PubMed

Malkin, Tamsin L; Murray, Benjamin J; Brukhno, Andrey V; Anwar, Jamshed; Salzmann, Christoph G

2012-01-24

The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. At ambient conditions, ice is considered to exist in two crystalline forms: stable hexagonal ice and metastable cubic ice. Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I. Stacking disorder and stacking faults have been reported earlier for metastable ice I, but only for ice crystallizing in mesopores and in samples recrystallized from high-pressure ice phases rather than in water droplets. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder. These findings highlight the need to reevaluate the physical and thermodynamic properties of this metastable ice as a function of the nature and extent of stacking disorder using well-characterized samples.

Tensile Response of Hoop Reinforced Multiaxially Braided Thin Wall Composite Tubes

NASA Astrophysics Data System (ADS)

Roy, Sree Shankhachur; Potluri, Prasad; Soutis, Constantinos

2017-04-01

This paper presents the tensile response of thin-walled composite tubes with multi-axial fibre architecture. A hybrid braid-wound layup has the potential to optimise the composite tube properties, however, stacking sequence plays a role in the failure mechanism. A braid-winding method has been used to produce stacked overwound braid layup [(±45°/0°)5/90°4]T. Influence of stacking sequence on premature failure of hoop layers has been reported. Under tensile loading, a cross-ply composite tube with the alternate stacking of hoop and axial fibre show hoop plies splitting similar to the overwound braided composite tube. However, splitting has been restricted by the surrounding axial plies and contained between the adjacent axial fibre tows. This observation suggests hoop layers sandwiched between braid layers will improve structural integrity. A near net shape architecture with three fibre orientation in a triaxial braid will provide additional support to prevent extensive damage for plies loaded in off-axis. Several notable observations for relatively open braid structures such as tow scissoring, high Poisson's ratio and influence of axial tow crimp on the strain to failure have been reported. Digital Image Correlation (DIC) in conjunction with surface strain gauging has been employed to capture the strain pattern.

Origin analysis of expanded stacking faults by applying forward current to 4H-SiC p-i-n diodes

NASA Astrophysics Data System (ADS)

Hayashi, Shohei; Naijo, Takanori; Yamashita, Tamotsu; Miyazato, Masaki; Ryo, Mina; Fujisawa, Hiroyuki; Miyajima, Masaaki; Senzaki, Junji; Kato, Tomohisa; Yonezawa, Yoshiyuki; Kojima, Kazutoshi; Okumura, Hajime

2017-08-01

Stacking faults expanded by the application of forward current to 4H-SiC p-i-n diodes were observed using a transmission electron microscope to investigate the expansion origin. It was experimentally confirmed that long-zonal-shaped stacking faults expanded from basal-plane dislocations converted into threading edge dislocations. In addition, stacking fault expansion clearly penetrated into the substrate to a greater depth than the dislocation conversion point. This downward expansion of stacking faults strongly depends on the degree of high-density minority carrier injection.

Stacking-fault nucleation on Ir(111).

PubMed

Busse, Carsten; Polop, Celia; Müller, Michael; Albe, Karsten; Linke, Udo; Michely, Thomas

2003-08-01

Variable temperature scanning tunneling microscopy experiments reveal that in Ir(111) homoepitaxy islands nucleate and grow both in the regular fcc stacking and in the faulted hcp stacking. Analysis of this effect in dependence on deposition temperature leads to an atomistic model of stacking-fault formation: The large, metastable stacking-fault islands grow by sufficiently fast addition of adatoms to small mobile adatom clusters which occupy in thermal equilibrium the hcp sites with a significant probability. Using parameters derived independently by field ion microscopy, the model accurately describes the results for Ir(111) and is expected to be valid also for other surfaces.

Stacking interactions of hydrogen-bridged rings – stronger than the stacking of benzene molecules.

PubMed

Blagojević, Jelena P; Zarić, Snežana D

2015-08-21

Analysis of crystal structures from the Cambridge Structural Database showed that 27% of all planar five-membered hydrogen-bridged rings, possessing only single bonds within the ring, form intermolecular stacking interactions. Interaction energy calculations show that interactions can be as strong as -4.9 kcal mol(-1), but dependent on ring structure.

Stacking interactions in PUF-RNA complexes

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

Yiling Koh, Yvonne; Wang, Yeming; Qiu, Chen

2012-07-02

Stacking interactions between amino acids and bases are common in RNA-protein interactions. Many proteins that regulate mRNAs interact with single-stranded RNA elements in the 3' UTR (3'-untranslated region) of their targets. PUF proteins are exemplary. Here we focus on complexes formed between a Caenorhabditis elegans PUF protein, FBF, and its cognate RNAs. Stacking interactions are particularly prominent and involve every RNA base in the recognition element. To assess the contribution of stacking interactions to formation of the RNA-protein complex, we combine in vivo selection experiments with site-directed mutagenesis, biochemistry, and structural analysis. Our results reveal that the identities of stackingmore » amino acids in FBF affect both the affinity and specificity of the RNA-protein interaction. Substitutions in amino acid side chains can restrict or broaden RNA specificity. We conclude that the identities of stacking residues are important in achieving the natural specificities of PUF proteins. Similarly, in PUF proteins engineered to bind new RNA sequences, the identity of stacking residues may contribute to 'target' versus 'off-target' interactions, and thus be an important consideration in the design of proteins with new specificities.« less

Ab initio study of point defects near stacking faults in 3C-SiC

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

Xi, Jianqi; Liu, Bin; Zhang, Yanwen

Interactions between point defects and stacking faults in 3C-SiC are studied using an ab initio method based on density functional theory. The results show that the discontinuity of the stacking sequence considerably affects the configurations and behavior of intrinsic defects, especially in the case of silicon interstitials. The existence of an intrinsic stacking fault (missing a C-Si bilayer) shortens the distance between the tetrahedral-center site and its second-nearest-neighboring silicon layer, making the tetrahedral silicon interstitial unstable. Instead of a tetrahedral configuration with four C neighbors, a pyramid-like interstitial structure with a defect state within the band gap becomes a stablemore » configuration. In addition, orientation rotation occurs in the split interstitials that has diverse effects on the energy landscape of silicon and carbon split interstitials in the stacking fault region. Moreover, our analyses of ionic relaxation and electronic structure of vacancies show that the built-in strain field, owing to the existence of the stacking fault, makes the local environment around vacancies more complex than that in the bulk.« less

Ab initio study of point defects near stacking faults in 3C-SiC

DOE PAGES

Xi, Jianqi; Liu, Bin; Zhang, Yanwen; ...

2016-07-02

Interactions between point defects and stacking faults in 3C-SiC are studied using an ab initio method based on density functional theory. The results show that the discontinuity of the stacking sequence considerably affects the configurations and behavior of intrinsic defects, especially in the case of silicon interstitials. The existence of an intrinsic stacking fault (missing a C-Si bilayer) shortens the distance between the tetrahedral-center site and its second-nearest-neighboring silicon layer, making the tetrahedral silicon interstitial unstable. Instead of a tetrahedral configuration with four C neighbors, a pyramid-like interstitial structure with a defect state within the band gap becomes a stablemore » configuration. In addition, orientation rotation occurs in the split interstitials that has diverse effects on the energy landscape of silicon and carbon split interstitials in the stacking fault region. Moreover, our analyses of ionic relaxation and electronic structure of vacancies show that the built-in strain field, owing to the existence of the stacking fault, makes the local environment around vacancies more complex than that in the bulk.« less

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

Shoup, R.W.; Long, F.; Martin, T.H.

Sandia has developed PBFA-Z, a 20-MA driver for z-pinch experiments by replacing the water lines, insulator stack. and MITLs on PBFA II with hardware of a new design. The PBFA-Z accelerator was designed to deliver 20 MA to a 15-mg z-pinch load in 100 ns. The accelerator was modeled using circuit codes to determine the time-dependent voltage and current waveforms at the input and output of the water lines, the insulator stack, and the MITLs. The design of the vacuum insulator stack was dictated by the drive voltage, the electric field stress and grading requirements, the water line and MITLmore » interface requirements, and the machine operations and maintenance requirements. The insulator stack consists of four separate modules, each of a different design because of different voltage drive and hardware interface requirements. The shape of the components in each module, i.e., grading rings, insulator rings, flux excluders, anode and cathode conductors, and the design of the water line and MITL interfaces, were optimized by using the electrostatic analysis codes, ELECTRO and JASON. The time-dependent performance of the insulator stacks was evaluated using IVORY, a 2-D PIC code. This paper will describe the insulator stack design, present the results of the ELECTRO and IVORY analyses, and show the results of the stack measurements.« less

Interlayer orientation-dependent light absorption and emission in monolayer semiconductor stacks

PubMed Central

Heo, Hoseok; Sung, Ji Ho; Cha, Soonyoung; Jang, Bo-Gyu; Kim, Joo-Youn; Jin, Gangtae; Lee, Donghun; Ahn, Ji-Hoon; Lee, Myoung-Jae; Shim, Ji Hoon; Choi, Hyunyong; Jo, Moon-Ho

2015-01-01

Two-dimensional stacks of dissimilar hexagonal monolayers exhibit unusual electronic, photonic and photovoltaic responses that arise from substantial interlayer excitations. Interband excitation phenomena in individual hexagonal monolayer occur in states at band edges (valleys) in the hexagonal momentum space; therefore, low-energy interlayer excitation in the hexagonal monolayer stacks can be directed by the two-dimensional rotational degree of each monolayer crystal. However, this rotation-dependent excitation is largely unknown, due to lack in control over the relative monolayer rotations, thereby leading to momentum-mismatched interlayer excitations. Here, we report that light absorption and emission in MoS2/WS2 monolayer stacks can be tunable from indirect- to direct-gap transitions in both spectral and dynamic characteristics, when the constituent monolayer crystals are coherently stacked without in-plane rotation misfit. Our study suggests that the interlayer rotational attributes determine tunable interlayer excitation as a new set of basis for investigating optical phenomena in a two-dimensional hexagonal monolayer system. PMID:26099952

Polytypism, polymorphism, and superconductivity in TaSe 2 –xTe x

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

Luo, Huixia; Xie, Weiwei; Tao, Jing

2015-03-03

Polymorphism in materials often leads to significantly different physical properties - the rutile and anatase polymorphs of TiO₂ are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivitymore » of TaSe₂, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access 2 stable polytypes and 2 stable polymorphs in the TaSe 2-xTe x solid solution, and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. Thus, the reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of T c on subtle differences in the characteristics of the single layers present, or from a surprising effect of the layer stacking sequence on electronic properties that instead are expected to be dominated by the properties of a single layer in materials of this kind.« less

Sequence and facies architecture of the upper Blackhawk Formation and the Lower Castlegate Sandstone (Upper Cretaceous), Book Cliffs, Utah, USA

NASA Astrophysics Data System (ADS)

Yoshida, S.

2000-11-01

High-frequency stratigraphic sequences that comprise the Desert Member of the Blackhawk Formation, the Lower Castlegate Sandstone, and the Buck Tongue in the Green River area of Utah display changes in sequence architecture from marine deposits to marginal marine deposits to an entirely nonmarine section. Facies and sequence architecture differ above and below the regionally extensive Castlegate sequence boundary, which separates two low-frequency (106-year cyclicity) sequences. Below this surface, high-frequency sequences are identified and interpreted as comprising the highstand systems tract of the low-frequency Blackhawk sequence. Each high-frequency sequence has a local incised valley system on top of the wave-dominated delta, and coastal plain to shallow marine deposits are preserved. Above the Castlegate sequence boundary, in contrast, a regionally extensive sheet sandstone of fluvial to estuarine origin with laterally continuous internal erosional surfaces occurs. These deposits above the Castlegate sequence boundary are interpreted as the late lowstand to early transgressive systems tracts of the low-frequency Castlegate sequence. The base-level changes that generated both the low- and high-frequency sequences are attributed to crustal response to fluctuations in compressive intraplate stress on two different time scales. The low-frequency stratigraphic sequences are attributed to changes in the long-term regional subsidence rate and regional tilting of foreland basin fill. High-frequency sequences probably reflect the response of anisotropic basement to tectonism. Sequence architecture changes rapidly across the faulted margin of the underlying Paleozoic Paradox Basin. The high-frequency sequences are deeply eroded and stack above the Paradox Basin, but display less relief and become conformable updip. These features indicate that the area above the Paradox Basin was more prone to vertical structural movements during formation of the Blackhawk-Lower Castlegate succession.

Temperature dependence of trapping effects in metal gates/Al2O3/InGaAs stacks

NASA Astrophysics Data System (ADS)

Palumbo, F.; Pazos, S.; Aguirre, F.; Winter, R.; Krylov, I.; Eizenberg, M.

2017-06-01

The influence of the temperature on Metal Gate/Al2O3/n-InGaAs stacks has been studied by means of capacitance-voltage (C-V) hysteresis and flat band voltage as function of both negative and positive stress fields. It was found that the de-trapping effect decreases at low-temperature, indicating that the de-trapping of trapped electrons from oxide traps may be performed via Al2O3/InGaAs interface defects. The dependence of the C-V hysteresis on the stress field at different temperatures in our InGaAs stacks can be explained in terms of the defect spatial distribution. An oxide defect distribution can be found very close to the metal gate/Al2O3 interface. On the other side, the Al2O3/InGaAs interface presents defects distributed from the interface into the bulk of the oxide, showing the influence of InGaAs on Al2O3 in terms of the spatial defect distribution. At the present, he is a research staff of the National Council of Science and Technology (CONICET), working in the National Commission of Atomic Energy (CNEA) in Buenos Aires, Argentina, well embedded within international research collaboration. Since 2008, he is Professor at the National Technological University (UTN) in Buenos Aires, Argentina. Dr. Palumbo has received research fellowships from: Marie Curie Fellowship within the 7th European Community Framework Programme, Abdus Salam International Centre for Theoretical Physics (ICTP) Italy, National Council of Science and Technology (CONICET) Argentina, and Consiglio Nazionale delle Ricerche (CNR) Italy. He is also a frequent scientific visitor of academic institutions as IMM-CNR-Italy, Minatec Grenoble-France, the Autonomous University of Barcelona-Spain, and the Israel Institute of Technology-Technion. He has authored and co-authored more than 50 papers in international conferences and journals.

NMR and enzymology of modified DNA/protein interactions

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

Kennedy, M.A.

1994-12-31

We have found distinct DNA structure and base dynamics precisely at the TpA cleavage site in the TTTAAA AHA III endonuclease restriction sequence. Hence, the unusual base stacking and mobility found in this sequence may be important to the mechanism of enzymatic cleavage of the phophodiester bond.

Probing Temperature Inside Planar SOFC Short Stack, Modules, and Stack Series

NASA Astrophysics Data System (ADS)

Yu, Rong; Guan, Wanbing; Zhou, Xiao-Dong

2017-02-01

Probing temperature inside a solid oxide fuel cell (SOFC) stack lies at the heart of the development of high-performance and stable SOFC systems. In this article, we report our recent work on the direct measurements of the temperature in three types of SOFC systems: a 5-cell short stack, a 30-cell stack module, and a stack series consisting of two 30-cell stack modules. The dependence of temperature on the gas flow rate and current density was studied under a current sweep or steady-state operation. During the current sweep, the temperature inside the 5-cell stack decreased with increasing current, while it increased significantly at the bottom and top of the 30-cell stack. During a steady-state operation, the temperature of the 5-cell stack was stable while it was increased in the 30-cell stack. In the stack series, the maximum temperature gradient reached 190°C when the gas was not preheated. If the gas was preheated and the temperature gradient was reduced to 23°C in the stack series with the presence of a preheating gas and segmented temperature control, this resulted in a low degradation rate.

Video denoising, deblocking, and enhancement through separable 4-D nonlocal spatiotemporal transforms.

PubMed

Maggioni, Matteo; Boracchi, Giacomo; Foi, Alessandro; Egiazarian, Karen

2012-09-01

We propose a powerful video filtering algorithm that exploits temporal and spatial redundancy characterizing natural video sequences. The algorithm implements the paradigm of nonlocal grouping and collaborative filtering, where a higher dimensional transform-domain representation of the observations is leveraged to enforce sparsity, and thus regularize the data: 3-D spatiotemporal volumes are constructed by tracking blocks along trajectories defined by the motion vectors. Mutually similar volumes are then grouped together by stacking them along an additional fourth dimension, thus producing a 4-D structure, termed group, where different types of data correlation exist along the different dimensions: local correlation along the two dimensions of the blocks, temporal correlation along the motion trajectories, and nonlocal spatial correlation (i.e., self-similarity) along the fourth dimension of the group. Collaborative filtering is then realized by transforming each group through a decorrelating 4-D separable transform and then by shrinkage and inverse transformation. In this way, the collaborative filtering provides estimates for each volume stacked in the group, which are then returned and adaptively aggregated to their original positions in the video. The proposed filtering procedure addresses several video processing applications, such as denoising, deblocking, and enhancement of both grayscale and color data. Experimental results prove the effectiveness of our method in terms of both subjective and objective visual quality, and show that it outperforms the state of the art in video denoising.

Cool white light-emitting three stack OLED structures for AMOLED display applications.

PubMed

Springer, Ramon; Kang, Byoung Yeop; Lampande, Raju; Ahn, Dae Hyun; Lenk, Simone; Reineke, Sebastian; Kwon, Jang Hyuk

2016-11-28

This paper demonstrates 2-stack and 3-stack white organic light-emitting diodes (WOLEDs) with fluorescent blue and phosphorescent yellow emissive units. The 2-stack and 3-stack WOLED comprises blue-yellow and blue-blue-yellow (blue-yellow-blue) combinations. The position of the yellow emitter and possible cavity lengths in different stack architectures are theoretically and experimentally investigated to reach Commission Internationale de L'Eclairage (CIE) coordinates of near (0.333/0.333). Here, a maximum external quantum efficiency (EQE) of 23.6% and current efficiency of 62.2 cd/A at 1000 cd/m² as well as suitable CIE color coordinates of (0.335/0.313) for the blue-blue-yellow 3-stack hybrid WOLED structure is reported. In addition, the blue-yellow-blue 3-stack architecture exhibits an improved angular dependence compared to the blue-blue-yellow structure at a decreased EQE of 19.1%.

Thermal deformations and stresses in composite materials

NASA Technical Reports Server (NTRS)

Daniel, I. M.

1980-01-01

Residual stresses are induced during curing in angle-ply laminates as a result of anisotropic thermal deformations of the variously oriented plies. Residual strains are measured experimentally using embedded strain gage techniques, and residual stresses are computed using orthotropic stress-strain relations. The results show that, for graphite and Kevlar laminates, residual stresses at room temperature are high enough to cause damage in the plies in the transverse to the fiber direction. It is also shown that residual stresses do not relax appreciably. The ply stacking sequence is found to have no effect on the magnitude of average residual stresses. Residual stresses and susceptibility to cracking during curing depend to a marked extent on ply layup.

Vibronic dephasing model for coherent-to-incoherent crossover in DNA

NASA Astrophysics Data System (ADS)

Karasch, Patrick; Ryndyk, Dmitry A.; Frauenheim, Thomas

2018-05-01

In this paper, we investigate the interplay between coherent and incoherent charge transport in cytosine-guanine (GC-) rich DNA molecules. Our objective is to introduce a physically grounded approach to dephasing in large molecules and to understand the length-dependent charge transport characteristics, and especially the crossover from the coherent tunneling to incoherent hopping regime at different temperatures. Therefore, we apply the vibronic dephasing model and compare the results to the Büttiker probe model which is commonly used to describe decoherence effects in charge transport. Using the full ladder model and simplified one-dimensional model of DNA, we consider molecular junctions with alternating and stacked GC sequences and compare our results to recent experimental measurements.

Converting factors for stacked wood

Treesearch

C. A. Bickford

1957-01-01

Though the "cord" is used as a standard unit of measure for stacked wood, there is much confusion as to what a cord is and how it can be properly converted to other units of measure. The amount of solid wood in a pile varies greatly depending on the size, straightness, and evenness of the material in the pile, and also on the closeness of stacking.

Effects of doping and bias voltage on the screening in AAA-stacked trilayer graphene

NASA Astrophysics Data System (ADS)

Mohammadi, Yawar; Moradian, Rostam; Shirzadi Tabar, Farzad

2014-09-01

We calculate the static polarization of AAA-stacked trilayer graphene (TLG) and study its screening properties within the random phase approximation (RPA) in all undoped, doped and biased regimes. We find that the static polarization of undoped AAA-stacked TLG is a combination of the doped and undoped single-layer graphene static polarization. This leads to an enhancement of the dielectric background constant along a Thomas-Fermi screening with the Thomas-Fermi wave vector which is independent of carrier concentrations and a 1/r3 power law decay for the long-distance behavior of the screened Coulomb potential. We show that effects of a bias voltage can be taken into account by a renormalization of the interlayer hopping energy to a new bias-voltage-dependent value, indicating screening properties of AAA-stacked TLG can be tuned electrically. We also find that screening properties of doped AAA-stacked TLG, when μ exceeds √{2}γ, are similar to that of doped SLG only depending on doping. While for μ<√{2}γ, its screening properties are combination of SLG and AA-stacked bilayer graphene screening properties and they are determined by doping and the interlayer hopping energy.

Complex and noncentrosymmetric stacking of layered metal dichalcogenide materials created by screw dislocations

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

Shearer, Melinda J.; Samad, Leith; Zhang, Yi

The interesting and tunable properties of layered metal dichalcogenides heavily depend on their phase and layer stacking. Here, we show and explain how the layer stacking and physical properties of WSe 2 are influenced by screw dislocations. A one-to-one correlation of atomic force microscopy and high- and low-frequency Raman spectroscopy of many dislocated WSe 2 nanoplates reveals variations in the number and shapes of dislocation spirals and different layer stackings that are determined by the number, rotation, and location of the dislocations. Plates with triangular dislocation spirals form noncentrosymmetric stacking that gives rise to strong second-harmonic generation and enhanced photoluminescence,more » plates with hexagonal dislocation spirals form the bulk 2H layer stacking commonly observed, and plates containing mixed dislocation shapes have intermediate noncentrosymmetric stackings with mixed properties. Multiple dislocation cores and other complexities can lead to more complex stackings and properties. Finally, these previously unobserved properties and layer stackings in WSe 2 will be interesting for spintronics and valleytronics.« less

Complex and noncentrosymmetric stacking of layered metal dichalcogenide materials created by screw dislocations

DOE PAGES

Shearer, Melinda J.; Samad, Leith; Zhang, Yi; ...

2017-02-08

The interesting and tunable properties of layered metal dichalcogenides heavily depend on their phase and layer stacking. Here, we show and explain how the layer stacking and physical properties of WSe 2 are influenced by screw dislocations. A one-to-one correlation of atomic force microscopy and high- and low-frequency Raman spectroscopy of many dislocated WSe 2 nanoplates reveals variations in the number and shapes of dislocation spirals and different layer stackings that are determined by the number, rotation, and location of the dislocations. Plates with triangular dislocation spirals form noncentrosymmetric stacking that gives rise to strong second-harmonic generation and enhanced photoluminescence,more » plates with hexagonal dislocation spirals form the bulk 2H layer stacking commonly observed, and plates containing mixed dislocation shapes have intermediate noncentrosymmetric stackings with mixed properties. Multiple dislocation cores and other complexities can lead to more complex stackings and properties. Finally, these previously unobserved properties and layer stackings in WSe 2 will be interesting for spintronics and valleytronics.« less

Cyclostratigraphy across a Mississippian carbonate ramp in the Esfahan-Sirjan Basin, Iran: implications for the amplitudes and frequencies of sea-level fluctuations along the southern margin of the Paleotethys

NASA Astrophysics Data System (ADS)

Bayet-Goll, Aram; Esfahani, Fariba Shirezadeh; Daraei, Mehdi; Monaco, Paolo; Sharafi, Mahmoud; Mohammadi, Amir Akbari

2018-03-01

The Tournaisian-Visean carbonate successions of the Esfahan-Sirjan Basin (ESB) from Sanandaj-Sirjan Zone, Iran, have been used to generate a sequence stratigraphic model that enhances facies characterization and improves paleoenvironmental interpretation of shallow marine successions deposited along the southern margin of the Paleotethys. Detailed facies analysis allowed to differentiate seven facies, which, in order of decreasing abundance, are: (1) shaly and marly, F1; (2) peloidal mudstones/wackestones, F2; (3) peloidal/bioclastic packstones, F3; (4) intraclastic/bioclastic packstones/grainstones, F4; (5) oolitic/bioclastic packstone/grainstone, F5; (6) sandy intraclastic/bioclastic grainstones, F6; (7) sandy oolitic/bioclastic grainstones, F7. The different facies can be grouped into three facies associations that correspond to different environments of a carbonate platform with ramp geometry (homoclinal), from outer ramp (F1 and F2), mid-ramp (F3, F4 and F6) to inner ramp areas (F5 and F7). Meter-scale cycles are the basic building blocks of shallow marine carbonate successions of the Tournaisian-Viséan ramp of the ESB. Small-scale cycles are stacked into medium-scale cycles that in turn are building blocks of large-scale cycles. According to the recognized facies and the stacking pattern of high-frequency cycles across the ramp, five large-scale cycles in the southeastern outcrops (Tournaisian-Viséan) and three large-scale cycles in the northwest outcrops (Viséan) related to eustatic sea-level changes can be recognized. The overall retrogradational nature of the carbonate ramp, illustrated by both vertical facies relationships and the stacking patterns of high-frequency cycles within the third-order cycles, implies that the deposition of the Tournaisian-Viséan successions mainly took place under a long-term transgressive sea-level trend. The stratigraphic architectural style of the sequences, characterized by the lack of lowstand deposits and exposure surfaces, associated with the evidence of progressive increase in the proportion of backstepping of facies belts across bounding surfaces and predominant subtidal characteristics, is in accordance with the long-term transgressive sea-level trend and greenhouse conditions during the Tournaisian-Viséan. The continued transgression on this broad shelfal platform could lead to the shutdown of the shallow water carbonate factory, reduction in sediment supply or sediment transport towards the offshore setting and the development of give-up sequences. The association of transgressive events with the deposition of thick open-marine marls/shales is a common feature in Tournaisian to Viséan times of the southern margin of the Paleotethys.

Highly insulating ferromagnetic cobaltite heterostructures

DOE PAGES

Choi, Woo Seok; Kang, Kyeong Tae; Jeen, Hyoungjeen; ...

2017-04-02

Ferromagnetic insulators are rather rare but possess great technological potential in, for example, spintronics. Individual control of ferromagnetic properties and electronic transport provides a useful design concept of multifunctional oxide heterostructures. We studied the close correlation among the magnetism, atomic structure, and electronic structure of oxide heterostructures composed of the ferromagnetic perovskite LaCoO 3 and the antiferromagnetic brownmillerite SrCoO 2.5 epitaxial thin film layers. By reversing the stacking sequence of the two layers, we could individually modify the electric resistance and saturation magnetic moment. Lastly, the ferromagnetic insulating behavior in the heterostructures was understood in terms of the electronic reconstructionmore » at the oxide surface/interfaces and crystalline quality of the constituent layers.« less

Highly insulating ferromagnetic cobaltite heterostructures

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

Choi, Woo Seok; Kang, Kyeong Tae; Jeen, Hyoungjeen

Ferromagnetic insulators are rather rare but possess great technological potential in, for example, spintronics. Individual control of ferromagnetic properties and electronic transport provides a useful design concept of multifunctional oxide heterostructures. We studied the close correlation among the magnetism, atomic structure, and electronic structure of oxide heterostructures composed of the ferromagnetic perovskite LaCoO 3 and the antiferromagnetic brownmillerite SrCoO 2.5 epitaxial thin film layers. By reversing the stacking sequence of the two layers, we could individually modify the electric resistance and saturation magnetic moment. Lastly, the ferromagnetic insulating behavior in the heterostructures was understood in terms of the electronic reconstructionmore » at the oxide surface/interfaces and crystalline quality of the constituent layers.« less

Artificial seismic acceleration

USGS Publications Warehouse

Felzer, Karen R.; Page, Morgan T.; Michael, Andrew J.

2015-01-01

In their 2013 paper, Bouchon, Durand, Marsan, Karabulut, 3 and Schmittbuhl (BDMKS) claim to see significant accelerating seismicity before M 6.5 interplate mainshocks, but not before intraplate mainshocks, reflecting a preparatory process before large events. We concur with the finding of BDMKS that their interplate dataset has significantly more fore- shocks than their intraplate dataset; however, we disagree that the foreshocks are predictive of large events in particular. Acceleration in stacked foreshock sequences has been seen before and has been explained by the cascade model, in which earthquakes occasionally trigger aftershocks larger than themselves4. In this model, the time lags between the smaller mainshocks and larger aftershocks follow the inverse power law common to all aftershock sequences, creating an apparent acceleration when stacked (see Supplementary Information).

Optimization of laminated stacking sequence for buckling load maximization by genetic algorithm

NASA Technical Reports Server (NTRS)

Le Riche, Rodolphe; Haftka, Raphael T.

1992-01-01

The use of a genetic algorithm to optimize the stacking sequence of a composite laminate for buckling load maximization is studied. Various genetic parameters including the population size, the probability of mutation, and the probability of crossover are optimized by numerical experiments. A new genetic operator - permutation - is proposed and shown to be effective in reducing the cost of the genetic search. Results are obtained for a graphite-epoxy plate, first when only the buckling load is considered, and then when constraints on ply contiguity and strain failure are added. The influence on the genetic search of the penalty parameter enforcing the contiguity constraint is studied. The advantage of the genetic algorithm in producing several near-optimal designs is discussed.

Depositional environments and cyclicity of the Early Ordovician carbonate ramp in the western Tarim Basin (NW China)

NASA Astrophysics Data System (ADS)

Guo, Chuan; Chen, Daizhao; Song, Yafang; Zhou, Xiqiang; Ding, Yi; Zhang, Gongjing

2018-06-01

During the Early Ordovician, the Tarim Basin (NW China) was mainly occupied by an extensive shallow-water carbonate platform, on which a carbonate ramp system was developed in the Bachu-Keping area of the western part of the basin. Three well-exposed typical outcrop sections of the Lower Ordovician Penglaiba Formation were investigated in order to identify the depositional facies and to clarify origins of meter-scale cycles and depositional sequences, thereby the platform evolution. Thirteen lithofacies are identified and further grouped into three depositional facies (associations): peritidal, restricted and open-marine subtidal facies. These lithofacies are vertically stacked into meter-scale, shallowing-upward peritidal and subtidal cycles. The peritidal cycles are mainly distributed in the lower and uppermost parts of the Penglaiba Formation deposited in the inner-middle ramp, and commonly start with shallow subtidal to intertidal facies followed by inter- to supratidal facies. In contrast, the subtidal cycles occur throughout the formation mostly in the middle-outer ramp and are dominated by shallow to relatively deep (i.e., intermediate) subtidal facies. The dominance of asymmetrical and incomplete cycles suggests a dominant control of Earth's orbital forcing on the cyclic deposition on the platform. On the basis of vertical facies and cycle stacking patterns, and accommodation changes illustrated by the Fischer plots from all studied sections, five third-order depositional sequences are recognized in the Penglaiba Formation. Individual sequences comprise a lower transgressive part and an upper regressive one. In shallow-water depositional environments, the transgressive packages are dominated by thicker-than-average subtidal cycles, indicating an increase in accommodation space, whereas regressive parts are mainly represented by thinner-than-average peritidal and subtidal cycles, denoting a decrease in accommodation space. In contrast, in intermediate to deep subtidal environments, transgressive and regressive packages display an opposite trend in accommodation space changes. Sequence boundaries (except the basal and top boundaries of the Penglaiba Formation) are usually represented by laterally traceable, transitional boundary zones without apparent subaerial exposure features. Good correlation of the long-term changes in accommodation space (or sea-level) inferred from vertical stacking patterns of facies and cycles suggests an overriding eustatic control on the formation of meter-scale cycles and third-order depositional sequences as well as platform evolution superimposed with local and/or regional tectonic influence during the Early Ordovician. This study would help understand the controls on the tempo-spatial facies distribution, stratal cyclicity and carbonate platform evolution in the western Tarim Basin during the Early Ordovician, facilitating prediction for favorable subsurface carbonate reservoirs and future hydrocarbon exploration and production in the Penglaiba Formation.

Optical activity in chiral stacks of 2D semiconductors

NASA Astrophysics Data System (ADS)

Poshakinskiy, Alexander V.; Kazanov, Dmitrii R.; Shubina, Tatiana V.; Tarasenko, Sergey A.

2018-03-01

We show that the stacks of two-dimensional semiconductor crystals with the chiral packing exhibit optical activity and circular dichroism. We develop a microscopic theory of these phenomena in the spectral range of exciton transitions that takes into account the spin-dependent hopping of excitons between the layers in the stack and the interlayer coupling of excitons via electromagnetic field. For the stacks of realistic two-dimensional semiconductors such as transition metal dichalcogenides, we calculate the rotation and ellipticity angles of radiation transmitted through such structures. The angles are resonantly enhanced at the frequencies of both bright and dark exciton modes in the stack. We also study the photoluminescence of chiral stacks and show that it is circularly polarized.

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

Kundu, Sourav, E-mail: sourav.kundu@saha.ac.in; Karmakar, S. N., E-mail: sachindranath.karmakar@saha.ac.in

We present a tight-binding study of conformation dependent electronic transport properties of DNA double-helix including its helical symmetry. We have studied the changes in the localization properties of DNA as we alter the number of stacked bases within every pitch of the double-helix keeping fixed the total number of nitrogen bases within the DNA molecule. We take three DNA sequences, two of them are periodic and one is random and observe that in all the cases localization length increases as we increase the radius of DNA double-helix i.e., number of nucleobases within a pitch. We have also investigated the effectmore » of backbone energetic on the I-V response of the system and found that in presence of helical symmetry, depending on the interplay of conformal variation and disorder, DNA can be found in either metallic, semiconducting and insulating phases, as observed experimentally.« less

Structure analysis of Si(111)-7 × 7 reconstructed surface by transmission electron diffraction

NASA Astrophysics Data System (ADS)

Takayanagi, Kunio; Tanishiro, Yasumasa; Takahashi, Shigeki; Takahashi, Masaetsu

1985-12-01

The atomic structure of the 7 × 7 reconstructed Si(111) surface has been analysed by ultra-high vacuum (UHV) transmission electron diffraction (TED). A possible projected structure of the surface is deduced from the intensity distribution in TED patterns of normal electron incidence and from Patterson and Fourier syntheses of the intensities. A new three-dimensional structure model, the DAS model, is proposed: The model consists of 12 adatoms arranged locally in the 2 × 2 structure, a stacking fault layer and a layer with a vacancy at the corner and 9 dimers on the sides of each of the two triangular subcells of the 7 × 7 unit cell. The silicon layers in one subcell are stacked with the normal sequence, CcAaB + adatoms, while those in the other subcell are stacked with a faulted sequence, CcAa/C + adatoms. The model has only 19 dangling bonds, the smallest number among models so far proposed. Previously proposed models are tested quantitatively by the TED intensity. Advantages and limits of the TED analysis are discussed.

Impact face influence on low velocity impact performance of interply laminated plates

NASA Astrophysics Data System (ADS)

Manikandan, Periyasamy; Chai, Gin Boay

2015-03-01

Fibre Metal Laminate (FML), a metal sandwiched hybrid composite material is well-known for its enhanced impact properties and better damage tolerance and it has been successfully implemented in diverse engineering applications in aviation industry. With heterogeneous constituents, the stacking sequence of FML is believe to play a critical role to govern its overall energy absorption capability by means of controlling delamination of metal composite interface and plastic deformation of metal layers. As a precursor, low velocity impact experiments were conducted on interply configured transparent plastic plates in order to extract the significance of stacking sequence and realize the characteristics of each layer through naked eye which is not possible in FML due to opacity of metal layer. The stack configuration constitute hard acrylic (brittle) and soft polycarbonate (ductile) plates analogous to composite (brittle) and metal (ductile) layers on FML laminate and the impact event is performed on either hard or soft facing sides separately. Hard side samples resemble more protective than soft side impact sample, with large peak resistant force and expose smaller damage growth in all experimented cases.

New polytypes of LPSO structures in an Mg-Co-Y alloy

NASA Astrophysics Data System (ADS)

Jin, Q. Q.; Shao, X. H.; Hu, X. B.; Peng, Z. Z.; Ma, X. L.

2017-01-01

The magnesium alloys containing long-period stacking ordered (LPSO) structures exhibit excellent mechanical properties. Each LPSO structure is known to contain either AB‧C‧A or AB‧C building block and feature its own stacking sequences. By atomic-scale high-angle annular dark field scanning transmission electron microscopy, we find the co-existence of AB‧C‧A and AB‧C building block in a single LPSO structure of the as-cast Mg92Co2Y6 (at.%) alloy, leading to the formation of six new polytypes of the LPSO structures determined as 29H, 51R, 60H, 72R, 102R and 192R. The lattice parameter of each LPSO structure is derived as ? and ? (n presents the number of basal layers in a unit cell). The stacking sequences and the space groups of these newly identified LPSO structures are proposed based on the electron diffraction and atomic-scale aberration-corrected high-resolution images. A random distribution of Co/Y elements in the basal planes of AB‧C‧A and AB‧C structural units is also observed and discussed.

Nanoparticle-Mediated Physical Exfoliation of Aqueous-Phase Graphene for Fabrication of Three-Dimensionally Structured Hybrid Electrodes.

PubMed

Lee, Younghee; Choi, Hojin; Kim, Min-Sik; Noh, Seonmyeong; Ahn, Ki-Jin; Im, Kyungun; Kwon, Oh Seok; Yoon, Hyeonseok

2016-01-27

Monodispersed polypyrrole (PPy) nanospheres were physically incorporated as guest species into stacked graphene layers without significant property degradation, thereby facilitating the formation of unique three-dimensional hybrid nanoarchitecture. The electrochemical properties of the graphene/particulate PPy (GPPy) nanohybrids were dependent on the sizes and contents of the PPy nanospheres. The nanohybrids exhibited optimum electrochemical performance in terms of redox activity, charge-transfer resistance, and specific capacitance at an 8:1 PPy/graphite (graphene precursor) weight ratio. The packing density of the alternately stacked nanohybrid structure varied with the nanosphere content, indicating the potential for high volumetric capacitance. The nanohybrids also exhibited good long-term cycling stability because of a structural synergy effect. Finally, fabricated nanohybrid-based flexible all-solid state capacitor cells exhibited good electrochemical performance in an acidic electrolyte with a maximum energy density of 8.4 Wh kg(-1) or 1.9 Wh L(-1) at a maximum power density of 3.2 kW kg(-1) or 0.7 kW L(-1); these performances were based on the mass or packing density of the electrode materials.

Nanoparticle-Mediated Physical Exfoliation of Aqueous-Phase Graphene for Fabrication of Three-Dimensionally Structured Hybrid Electrodes

PubMed Central

Lee, Younghee; Choi, Hojin; Kim, Min-Sik; Noh, Seonmyeong; Ahn, Ki-Jin; Im, Kyungun; Kwon, Oh Seok; Yoon, Hyeonseok

2016-01-01

Monodispersed polypyrrole (PPy) nanospheres were physically incorporated as guest species into stacked graphene layers without significant property degradation, thereby facilitating the formation of unique three-dimensional hybrid nanoarchitecture. The electrochemical properties of the graphene/particulate PPy (GPPy) nanohybrids were dependent on the sizes and contents of the PPy nanospheres. The nanohybrids exhibited optimum electrochemical performance in terms of redox activity, charge-transfer resistance, and specific capacitance at an 8:1 PPy/graphite (graphene precursor) weight ratio. The packing density of the alternately stacked nanohybrid structure varied with the nanosphere content, indicating the potential for high volumetric capacitance. The nanohybrids also exhibited good long-term cycling stability because of a structural synergy effect. Finally, fabricated nanohybrid-based flexible all–solid state capacitor cells exhibited good electrochemical performance in an acidic electrolyte with a maximum energy density of 8.4 Wh kg−1 or 1.9 Wh L−1 at a maximum power density of 3.2 kW kg−1 or 0.7 kW L−1; these performances were based on the mass or packing density of the electrode materials. PMID:26813878

Dali server update.

PubMed

Holm, Liisa; Laakso, Laura M

2016-07-08

The Dali server (http://ekhidna2.biocenter.helsinki.fi/dali) is a network service for comparing protein structures in 3D. In favourable cases, comparing 3D structures may reveal biologically interesting similarities that are not detectable by comparing sequences. The Dali server has been running in various places for over 20 years and is used routinely by crystallographers on newly solved structures. The latest update of the server provides enhanced analytics for the study of sequence and structure conservation. The server performs three types of structure comparisons: (i) Protein Data Bank (PDB) search compares one query structure against those in the PDB and returns a list of similar structures; (ii) pairwise comparison compares one query structure against a list of structures specified by the user; and (iii) all against all structure comparison returns a structural similarity matrix, a dendrogram and a multidimensional scaling projection of a set of structures specified by the user. Structural superimpositions are visualized using the Java-free WebGL viewer PV. The structural alignment view is enhanced by sequence similarity searches against Uniprot. The combined structure-sequence alignment information is compressed to a stack of aligned sequence logos. In the stack, each structure is structurally aligned to the query protein and represented by a sequence logo. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Dynamic stability of stacked disk type flywheels

NASA Astrophysics Data System (ADS)

Younger, F. C.

1981-04-01

A flywheel assembly formed from adhesively bonded stacked fiber composite disks was analyzed. The stiffness and rigidity of the assembly required to prevent uncontrolled growth in the deformations due to centrifugal force was determined. It is shown that stacked disk type flywheels become unstable when the speed exceeds a critical value. This critical value of speed depends upon the stiffness of the bonded attachments between the disks. It is found that elastomeric bonds do not provide adequate stiffness to insure dynamic stability for high speed stacked disk type flywheels.

Image transfer by cascaded stack of photonic crystal and air layers.

PubMed

Shen, C; Michielsen, K; De Raedt, H

2006-01-23

We demonstrate image transfer by a cascaded stack consisting of two and three triangular-lattice photonic crystal slabs separated by air. The quality of the image transfered by the stack is sensitive to the air/photonic crystal interface termination and the frequency. Depending on the frequency and the surface termination, the image can be transfered by the stack with very little deterioration of the resolution, that is the resolution of the final image is approximately the same as the resolution of the image formed behind one single photonic crystal slab.

Crystal structure of cbbF from Zymomonas mobilis and its functional implication

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

Hwang, Hyo-Jeong; Park, Suk-Youl; Kim, Jeong-Sun, E-mail: jsunkim@chonnam.ac.kr

2014-02-28

Highlights: • The crystal structure of one cbbF from Zymomonas mobilis was revealed. • Scores of residues form two secondary structures with a non-polar protruded residue. • It exists as a dimeric form in solution. - Abstract: A phosphate group at the C1-atom of inositol-monophosphate (IMP) and fructose-1,6-bisphosphate (FBP) is hydrolyzed by a phosphatase IMPase and FBPase in a metal-dependent way, respectively. The two enzymes are almost indiscernible from each other because of their highly similar sequences and structures. Metal ions are bound to residues on the β1- and β2-strands and one mobile loop. However, FBP has another phosphate andmore » FBPases exist as a higher oligomeric state, which may discriminate FBPases from IMPases. There are three genes annotated as FBPases in Zymomonas mobilis, termed also cbbF (ZmcbbF). The revealed crystal structure of one ZmcbbF shows a globular structure formed by five stacked layers. Twenty-five residues in the middle of the sequence form an α-helix and a β-strand, which occupy one side of the catalytic site. A non-polar Leu residue among them is protruded to the active site, pointing out unfavorable access of a bulky charged group to this side. In vitro assays have shown its dimeric form in solution. Interestingly, two β-strands of β1 and β2 are disordered in the ZmcbbF structure. These data indicate that ZmcbbF might structurally belong to IMPase, and imply that its active site would be reorganized in a yet unreported way.« less

Mutation scanning in a single and a stacked genetically modified (GM) event by real-time PCR and high resolution melting (HRM) analysis.

PubMed

Ben Ali, Sina-Elisabeth; Madi, Zita Erika; Hochegger, Rupert; Quist, David; Prewein, Bernhard; Haslberger, Alexander G; Brandes, Christian

2014-10-31

Genetic mutations must be avoided during the production and use of seeds. In the European Union (EU), Directive 2001/18/EC requires any DNA construct introduced via transformation to be stable. Establishing genetic stability is critical for the approval of genetically modified organisms (GMOs). In this study, genetic stability of two GMOs was examined using high resolution melting (HRM) analysis and real-time polymerase chain reaction (PCR) employing Scorpion primers for amplification. The genetic variability of the transgenic insert and that of the flanking regions in a single oilseed rape variety (GT73) and a stacked maize (MON88017×MON810) was studied. The GT73 and the 5' region of MON810 showed no instabilities in the examined regions. However; two out of 100 analyzed samples carried a heterozygous point mutation in the 3' region of MON810 in the stacked variety. These results were verified by direct sequencing of the amplified PCR products as well as by sequencing of cloned PCR fragments. The occurrence of the mutation suggests that the 5' region is more suitable than the 3' region for the quantification of MON810. The identification of the single nucleotide polymorphism (SNP) in a stacked event is in contrast to the results of earlier studies of the same MON810 region in a single event where no DNA polymorphism was found.

Robust statistical methods for impulse noise suppressing of spread spectrum induced polarization data, with application to a mine site, Gansu province, China

NASA Astrophysics Data System (ADS)

Liu, Weiqiang; Chen, Rujun; Cai, Hongzhu; Luo, Weibin

2016-12-01

In this paper, we investigated the robust processing of noisy spread spectrum induced polarization (SSIP) data. SSIP is a new frequency domain induced polarization method that transmits pseudo-random m-sequence as source current where m-sequence is a broadband signal. The potential information at multiple frequencies can be obtained through measurement. Removing the noise is a crucial problem for SSIP data processing. Considering that if the ordinary mean stack and digital filter are not capable of reducing the impulse noise effectively in SSIP data processing, the impact of impulse noise will remain in the complex resistivity spectrum that will affect the interpretation of profile anomalies. We implemented a robust statistical method to SSIP data processing. The robust least-squares regression is used to fit and remove the linear trend from the original data before stacking. The robust M estimate is used to stack the data of all periods. The robust smooth filter is used to suppress the residual noise for data after stacking. For robust statistical scheme, the most appropriate influence function and iterative algorithm are chosen by testing the simulated data to suppress the outliers' influence. We tested the benefits of the robust SSIP data processing using examples of SSIP data recorded in a test site beside a mine in Gansu province, China.

Discussion Starter: The Case for Duplexing without Channel Flow During the Development and Emplacement of the Himalayan Middle Crust

NASA Astrophysics Data System (ADS)

Webb, A. G.; He, D.; Yu, H.

2015-12-01

This presentation and another presentation led by Dawn Kellett will preface a ten-minute open discussion on how the Himalayan middle crust was developed and emplaced. Current hypotheses are transitioning from a set including wedge extrusion, channel flow with focused denudation, and tectonic wedging to a revised dichotomy: models with intense upper plate out-of-sequence activity (i.e., tunneling of channel flow, and critical taper wedge behavior) versus models in which the upper plate mainly records basal accretion of horses (i.e., duplexing). Critical taper and duplexing offer a simple contrast that can be illustrated via food analogies. If a wedge is critical, it churns internally like a pile of CheeriosTM cereal pushed up an inclined plane. Stacking of a duplex acts like a deli meat-slicing machine: slice after slice is cut from the intact block to a stack of slices, but neither the block (~down-going plate) nor the stack (~upper plate) features much internal deformation. Thus critical taper and channel tunneling models predict much processing via out-of-sequence deformation, whereas duplexing predicts in-sequence thrusting. The two concepts may be considered end-members. Recent work shows that the Himalayan middle crust has been assembled along a series of mainly southwards-younging thrust faults. The thrust faults separate 1-5 km thick panels that experienced similar metamorphic cycles during different time periods. Out-of-sequence deformation is rare, with its apparent significance enhanced because of the high throw-to-heave ratio of out-of-sequence thrusting. Flattening fabrics developed prior to thrusting have been interpreted to record either (1) southwards channel tunneling across the upper plate, or (2) fabric development during metamorphism of the down-going plate. We will argue that the thrust faults dominantly represent in-sequence duplexing, and therefore conclude that the Himalaya and analogous hot orogens behave like other accretionary orogens.

Experimental and Numerical Studies on Fiber Deformation and Formability in Thermoforming Process Using a Fast-Cure Carbon Prepreg: Effect of Stacking Sequence and Mold Geometry.

PubMed

Bae, Daeryeong; Kim, Shino; Lee, Wonoh; Yi, Jin Woo; Um, Moon Kwang; Seong, Dong Gi

2018-05-21

A fast-cure carbon fiber/epoxy prepreg was thermoformed against a replicated automotive roof panel mold (square-cup) to investigate the effect of the stacking sequence of prepreg layers with unidirectional and plane woven fabrics and mold geometry with different drawing angles and depths on the fiber deformation and formability of the prepreg. The optimum forming condition was determined via analysis of the material properties of epoxy resin. The non-linear mechanical properties of prepreg at the deformation modes of inter- and intra-ply shear, tensile and bending were measured to be used as input data for the commercial virtual forming simulation software. The prepreg with a stacking sequence containing the plain-woven carbon prepreg on the outer layer of the laminate was successfully thermoformed against a mold with a depth of 20 mm and a tilting angle of 110°. Experimental results for the shear deformations at each corner of the thermoformed square-cup product were compared with the simulation and a similarity in the overall tendency of the shear angle in the path at each corner was observed. The results are expected to contribute to the optimization of parameters on materials, mold design and processing in the thermoforming mass-production process for manufacturing high quality automotive parts with a square-cup geometry.

Experimental and Numerical Studies on Fiber Deformation and Formability in Thermoforming Process Using a Fast-Cure Carbon Prepreg: Effect of Stacking Sequence and Mold Geometry

PubMed Central

Bae, Daeryeong; Kim, Shino; Lee, Wonoh; Yi, Jin Woo; Um, Moon Kwang; Seong, Dong Gi

2018-01-01

A fast-cure carbon fiber/epoxy prepreg was thermoformed against a replicated automotive roof panel mold (square-cup) to investigate the effect of the stacking sequence of prepreg layers with unidirectional and plane woven fabrics and mold geometry with different drawing angles and depths on the fiber deformation and formability of the prepreg. The optimum forming condition was determined via analysis of the material properties of epoxy resin. The non-linear mechanical properties of prepreg at the deformation modes of inter- and intra-ply shear, tensile and bending were measured to be used as input data for the commercial virtual forming simulation software. The prepreg with a stacking sequence containing the plain-woven carbon prepreg on the outer layer of the laminate was successfully thermoformed against a mold with a depth of 20 mm and a tilting angle of 110°. Experimental results for the shear deformations at each corner of the thermoformed square-cup product were compared with the simulation and a similarity in the overall tendency of the shear angle in the path at each corner was observed. The results are expected to contribute to the optimization of parameters on materials, mold design and processing in the thermoforming mass-production process for manufacturing high quality automotive parts with a square-cup geometry. PMID:29883413

Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment.

PubMed

Sponer, Jiří; Sponer, Judit E; Mládek, Arnošt; Jurečka, Petr; Banáš, Pavel; Otyepka, Michal

2013-12-01

Base stacking is a major interaction shaping up and stabilizing nucleic acids. During the last decades, base stacking has been extensively studied by experimental and theoretical methods. Advanced quantum-chemical calculations clarified that base stacking is a common interaction, which in the first approximation can be described as combination of the three most basic contributions to molecular interactions, namely, electrostatic interaction, London dispersion attraction and short-range repulsion. There is not any specific π-π energy term associated with the delocalized π electrons of the aromatic rings that cannot be described by the mentioned contributions. The base stacking can be rather reasonably approximated by simple molecular simulation methods based on well-calibrated common force fields although the force fields do not include nonadditivity of stacking, anisotropy of dispersion interactions, and some other effects. However, description of stacking association in condensed phase and understanding of the stacking role in biomolecules remain a difficult problem, as the net base stacking forces always act in a complex and context-specific environment. Moreover, the stacking forces are balanced with many other energy contributions. Differences in definition of stacking in experimental and theoretical studies are explained. Copyright © 2013 Wiley Periodicals, Inc.

Modeling of mechanical properties of stack actuators based on electroactive polymers

NASA Astrophysics Data System (ADS)

Tepel, Dominik; Graf, Christian; Maas, Jürgen

2013-04-01

Dielectric elastomers are thin polymer films belonging to the class of electroactive polymers, which are coated with compliant and conductive electrodes on each side. Under the influence of an electrical field, dielectric elastomers perform a large amount of deformation. Depending on the mechanical setup, stack and roll actuators can be realized. In this contribution the mechanical properties of stack actuators are modeled by a holistic electromechanical approach of a single actuator film, by which the model of a stack actuator without constraints can be derived. Due to the mechanical connection between the stack actuator and the application, bulges occur at the free surfaces of the EAP material, which are calculated, experimentally validated and considered in the model of the stack actuator. Finally, the analytic actuator film model as well as the stack actuator model are validated by comparison to numerical FEM-models in ANSYS.

Low-Energy Electron-Induced Strand Breaks in Telomere-Derived DNA Sequences-Influence of DNA Sequence and Topology.

PubMed

Rackwitz, Jenny; Bald, Ilko

2018-03-26

During cancer radiation therapy high-energy radiation is used to reduce tumour tissue. The irradiation produces a shower of secondary low-energy (<20 eV) electrons, which are able to damage DNA very efficiently by dissociative electron attachment. Recently, it was suggested that low-energy electron-induced DNA strand breaks strongly depend on the specific DNA sequence with a high sensitivity of G-rich sequences. Here, we use DNA origami platforms to expose G-rich telomere sequences to low-energy (8.8 eV) electrons to determine absolute cross sections for strand breakage and to study the influence of sequence modifications and topology of telomeric DNA on the strand breakage. We find that the telomeric DNA 5'-(TTA GGG) 2 is more sensitive to low-energy electrons than an intermixed sequence 5'-(TGT GTG A) 2 confirming the unique electronic properties resulting from G-stacking. With increasing length of the oligonucleotide (i.e., going from 5'-(GGG ATT) 2 to 5'-(GGG ATT) 4 ), both the variety of topology and the electron-induced strand break cross sections increase. Addition of K + ions decreases the strand break cross section for all sequences that are able to fold G-quadruplexes or G-intermediates, whereas the strand break cross section for the intermixed sequence remains unchanged. These results indicate that telomeric DNA is rather sensitive towards low-energy electron-induced strand breakage suggesting significant telomere shortening that can also occur during cancer radiation therapy. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A first principles approach to magnetic and optical properties in single-layer graphene sandwiched between boron nitride monolayers

NASA Astrophysics Data System (ADS)

Das, Ritwika; Chowdhury, Suman; Jana, Debnarayan

2015-07-01

The dependence of the stability of single-layer graphene (SLG) sandwiched between hexagonal boron nitride bilayers (h-BN) has been described and investigated for different types of stacking in order to provide the fingerprint of the stacking order which affects the optical properties of such trilayer systems. Considering the four stacking models AAA-, AAB-, ABA-, and ABC-type stacking, the static dielectric functions (in case of parallel polarizations) for AAB-type stacking possesses maximum values, and minimum values are noticed for AAA. However, AAA-type stacking structures contribute the maximum magnetic moment while vanishing magnetic moments are observed for ABA and ABC stacking. The observed optical anisotropy and magnetic properties of these trilayer heterostructures (h-BN/SLG/h-BN) can be understood from the crystallographic stacking order and inherent crystal lattice symmetry. These optical and magnetic results suggest that the h-BN/SLG/h-BN could provide a viable route to graphene-based opto-electronic and spintronic devices.

A long-term stable power supply µDMFC stack for wireless sensor node applications

NASA Astrophysics Data System (ADS)

Wu, Zonglin; Wang, Xiaohong; Li, Xiaozhao; Xu, Manqi; Liu, Litian

2014-10-01

In this paper, a passive, air-breathing four-cell micro direct methanol fuel cell (µDMFC) stack featuring a fuel delivery structure for long-term and stable power supply is designed, fabricated and tested. The fuel is reserved in a T-shaped tank and diffuses through the porous diffusion layer to the catalyst at the anode. A peak power density of 25.7 mW cm-2 and a maximum power output of 113 mW are achieved with 3 M methanol at room temperature, and the stack can produce 60 mW of power, even though only 5% fuel remains in the reservoir. Combined with a low-input dc-dc convertor, the stack can realize a stable and optional constant voltage output from 1 V-6 V. The stack successfully powered a heavy metal sensor node for water environment monitoring 12 d continuously, with consumption of 10 mL 5 M methanol solution. As such, it is believed to be applicable for powering wireless sensor nodes.

Temperature dependence of stacking faults in catalyst-free GaAs nanopillars.

PubMed

Shapiro, Joshua N; Lin, Andrew; Ratsch, Christian; Huffaker, D L

2013-11-29

Impressive opto-electronic devices and transistors have recently been fabricated from GaAs nanopillars grown by catalyst-free selective-area epitaxy, but this growth technique has always resulted in high densities of stacking faults. A stacking fault occurs when atoms on the growing (111) surface occupy the sites of a hexagonal-close-pack (hcp) lattice instead of the normal face-centered-cubic (fcc) lattice sites. When stacking faults occur consecutively, the crystal structure is locally wurtzite instead of zinc-blende, and the resulting band offsets are known to negatively impact device performance. Here we present experimental and theoretical evidence that indicate stacking fault formation is related to the size of the critical nucleus, which is temperature dependent. The difference in energy between the hcp and fcc orientation of small nuclei is computed using density-function theory. The minimum energy difference of 0.22 eV is calculated for a nucleus with 21 atoms, so the population of nuclei in the hcp orientation is expected to decrease as the nucleus grows larger. The experiment shows that stacking fault occurrence is dramatically reduced from 22% to 3% by raising the growth temperature from 730 to 790 ° C. These data are interpreted using classical nucleation theory which dictates a larger critical nucleus at higher growth temperature.

Glass transition dynamics of stacked thin polymer films

NASA Astrophysics Data System (ADS)

Fukao, Koji; Terasawa, Takehide; Oda, Yuto; Nakamura, Kenji; Tahara, Daisuke

2011-10-01

The glass transition dynamics of stacked thin films of polystyrene and poly(2-chlorostyrene) were investigated using differential scanning calorimetry and dielectric relaxation spectroscopy. The glass transition temperature Tg of as-stacked thin polystyrene films has a strong depression from that of the bulk samples. However, after annealing at high temperatures above Tg, the stacked thin films exhibit glass transition at a temperature almost equal to the Tg of the bulk system. The α-process dynamics of stacked thin films of poly(2-chlorostyrene) show a time evolution from single-thin-film-like dynamics to bulk-like dynamics during the isothermal annealing process. The relaxation rate of the α process becomes smaller with increase in the annealing time. The time scale for the evolution of the α dynamics during the annealing process is very long compared with that for the reptation dynamics. At the same time, the temperature dependence of the relaxation time for the α process changes from Arrhenius-like to Vogel-Fulcher-Tammann dependence with increase of the annealing time. The fragility index increases and the distribution of the α-relaxation times becomes smaller with increase in the annealing time for isothermal annealing. The observed change in the α process is discussed with respect to the interfacial interaction between the thin layers of stacked thin polymer films.

Segmented-memory recurrent neural networks.

PubMed

Chen, Jinmiao; Chaudhari, Narendra S

2009-08-01

Conventional recurrent neural networks (RNNs) have difficulties in learning long-term dependencies. To tackle this problem, we propose an architecture called segmented-memory recurrent neural network (SMRNN). A symbolic sequence is broken into segments and then presented as inputs to the SMRNN one symbol per cycle. The SMRNN uses separate internal states to store symbol-level context, as well as segment-level context. The symbol-level context is updated for each symbol presented for input. The segment-level context is updated after each segment. The SMRNN is trained using an extended real-time recurrent learning algorithm. We test the performance of SMRNN on the information latching problem, the "two-sequence problem" and the problem of protein secondary structure (PSS) prediction. Our implementation results indicate that SMRNN performs better on long-term dependency problems than conventional RNNs. Besides, we also theoretically analyze how the segmented memory of SMRNN helps learning long-term temporal dependencies and study the impact of the segment length.

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

Ahn, Cheol Hyoun; Hee Kim, So; Gu Yun, Myeong

In this study, we proposed the artificially designed channel structure in oxide thin-film transistors (TFTs) called a “step-composition gradient channel.” We demonstrated Al step-composition gradient Al-Zn-O (AZO) channel structures consisting of three AZO layers with different Al contents. The effects of stacking sequence in the step-composition gradient channel on performance and electrical stability of bottom-gate TFT devices were investigated with two channels of inverse stacking order (ascending/descending step-composition). The TFT with ascending step-composition channel structure (5 → 10 → 14 at. % Al composition) showed relatively negative threshold voltage (−3.7 V) and good instability characteristics with a reduced threshold voltage shift (Δmore » 1.4 V), which was related to the alignment of the conduction band off-set within the channel layer depending on the Al contents. Finally, the reduced Al composition in the initial layer of ascending step-composition channel resulted in the best field effect mobility of 4.5 cm{sup 2}/V s. We presented a unique active layer of the “step-composition gradient channel” in the oxide TFTs and explained the mechanism of adequate channel design.« less

A Novel Intrinsic Interface State Controlled by Atomic Stacking Sequence at Interfaces of SiC/SiO2.

PubMed

Matsushita, Yu-Ichiro; Oshiyama, Atsushi

2017-10-11

On the basis of ab initio total-energy electronic-structure calculations, we find that electron states localized at the SiC/SiO 2 interface emerge in the energy region between 0.3 eV below and 1.2 eV above the bulk conduction-band minimum (CBM) of SiC, being sensitive to the sequence of atomic bilayers in SiC near the interface. These new interface states unrecognized in the past are due to the peculiar characteristics of the CBM states that are distributed along the crystallographic channels. We also find that the electron doping modifies the energetics among the different stacking structures. Implication for performance of electron devices fabricated on different SiC surfaces is discussed.

A study of graphite-epoxy laminate failures due to high transverse shear strains using the multi-span-beam shear test procedure

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.

1989-01-01

The multi-span-beam shear test procedure is used to study failure mechanisms in graphite-epoxy laminates due to high transverse shear strains induced by severe local bending deformations in test specimens. Results of a series of tests on specimens with a variety of stacking sequences, including some with adhesive interleaving, are presented. These results indicate that laminates with stacking sequences with several + or - 45 and 90 deg plies next to each other are more susceptible to failures due to high transverse shear strains than laminates with + or - 45 and 0 deg plies next to each other or with + or - 45 deg plies next to layers of adhesive interleaving. Results of these tests are compared with analytical results based on finite elements.

Parametric study of laminated composite material shaft of high speed rotor-bearing system

NASA Astrophysics Data System (ADS)

Gonsalves, Thimothy Harold; Kumar, G. C. Mohan; Ramesh, M. R.

2018-04-01

In this paper some of the important parameters that influence the effectiveness of composite material shaft of high speed rotor-bearing system on rotor dynamics are analyzed. The type of composite material composition, the number of layers along with their stacking sequences are evaluated as they play an important role in deciding the best configuration suitable for the high-speed application. In this work the lateral modal frequencies for five types of composite materials shaft of a high-speed power turbine rotor-bearing system and stresses due to operating torque are evaluated. The results are useful for the selection of right combination of material, number of layers and their stacking sequences. The numerical analysis is carried out using the ANSYS Rotor dynamic analysis features.

First-principles determination of the Raman fingerprint of rhombohedral graphite

NASA Astrophysics Data System (ADS)

Torche, Abderrezak; Mauri, Francesco; Charlier, Jean-Christophe; Calandra, Matteo

2017-09-01

Multilayer graphene with rhombohedral stacking is a promising carbon phase possibly displaying correlated states like magnetism or superconductivity due to the occurrence of a flat surface band at the Fermi level. Recently, flakes of thickness up to 17 layers were tentatively attributed to ABC sequences although the Raman fingerprint of rhombohedral multilayer graphene is currently unknown and the 2D resonant Raman spectrum of Bernal graphite is not understood. We provide a first principles description of the 2D Raman peak in three and four layers graphene (all stackings) as well as in Bernal, rhombohedral, and an alternation of Bernal and rhombohedral graphite. We give practical prescriptions to identify long range sequences of ABC multilayer graphene. Our work is a prerequisite to experimental nondestructive identification and synthesis of rhombohedral graphite.

DNA Translator and Aligner: HyperCard utilities to aid phylogenetic analysis of molecules.

PubMed

Eernisse, D J

1992-04-01

DNA Translator and Aligner are molecular phylogenetics HyperCard stacks for Macintosh computers. They manipulate sequence data to provide graphical gene mapping, conversions, translations and manual multiple-sequence alignment editing. DNA Translator is able to convert documented GenBank or EMBL documented sequences into linearized, rescalable gene maps whose gene sequences are extractable by clicking on the corresponding map button or by selection from a scrolling list. Provided gene maps, complete with extractable sequences, consist of nine metazoan, one yeast, and one ciliate mitochondrial DNAs and three green plant chloroplast DNAs. Single or multiple sequences can be manipulated to aid in phylogenetic analysis. Sequences can be translated between nucleic acids and proteins in either direction with flexible support of alternate genetic codes and ambiguous nucleotide symbols. Multiple aligned sequence output from diverse sources can be converted to Nexus, Hennig86 or PHYLIP format for subsequent phylogenetic analysis. Input or output alignments can be examined with Aligner, a convenient accessory stack included in the DNA Translator package. Aligner is an editor for the manual alignment of up to 100 sequences that toggles between display of matched characters and normal unmatched sequences. DNA Translator also generates graphic displays of amino acid coding and codon usage frequency relative to all other, or only synonymous, codons for approximately 70 select organism-organelle combinations. Codon usage data is compatible with spreadsheet or UWGCG formats for incorporation of additional molecules of interest. The complete package is available via anonymous ftp and is free for non-commercial uses.

Are Rab Proteins the Link Between Golgi Organization and Membrane Trafficking?

PubMed Central

Liu, Shijie; Storrie, Brian

2014-01-01

The fundamental separation of Golgi function between subcompartments termed cisternae is conserved across all eukaryotes. Likewise, Rab proteins, small GTPases of the Ras superfamily, are putative common coordinators of Golgi organization and protein transport. However, despite sequence conservation, e.g., Rab6 and Ypt6 are conserved proteins between humans and yeast, the fundamental organization of the organelle can vary profoundly. In the yeast Sacchromyces cerevisiae, the Golgi cisternae are physically separated from one another while, in mammalian cells, the cisternae are stacked one upon the other. Moreover, in mammalian cells many Golgi stacks are typically linked together to generate a ribbon structure. Do evolutionarily conserved Rab proteins regulate secretory membrane trafficking and diverse Golgi organization in a common manner? In mammalian cells, some Golgi associated Rab proteins function in coordination of protein transport and maintenance of Golgi organization. These include Rab6, Rab33B, Rab1, Rab2, Rab18 and Rab43. In yeast, these include Ypt1, Ypt32 and Ypt6. Here, based on evidence from both yeast and mammalian cells, we speculate on the essential role of Rab proteins in Golgi organization and protein transport. PMID:22581368

A long-term stable power supply μDMFC stack for wireless sensor node applications

NASA Astrophysics Data System (ADS)

Wu, Z. L.; Wang, X. H.; Teng, F.; Li, X. Z.; Wu, X. M.; Liu, L. T.

2013-12-01

A passive, air-breathing 4-cell micro direct methanol fuel cell (μDMFC) stack is presented featured by a fuel delivery structure for a long-term & stable power supply. The fuel is reserved in a T shape tank and diffuses through the porous diffusion layer to the catalyst at anode. The stack has a maximum power output of 110mW with 3M methanol at room temperature and output a stable power even thought 5% fuel is the remained in reservoir. Its performance decreases less than 3% for 100 hours continuous work. As such, it is believed to be more applicable for powering the wireless sensor nodes.

Buckling behavior of long symmetrically laminated plates subjected to combined loadings

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.

1992-01-01

A parametric study is presented of the buckling behavior of infinitely long, symmetrically laminated anisotropic plates subjected to combined loadings. The loading conditions considered are axial tension and compression transverse tension and compression, and shear. Results obtained using a special-purpose analysis, well-suited for parametric studies, are presented for clamped and simply supported plates. Moreover, results are presented for some common laminate constructions, and generic buckling design charts are presented for a wide range of parameters. The generic design charts are presented in terms of useful nondimensional parameters, and the dependence of the nondimensional parameters on laminate fiber orientation, stacking sequence, and material properties is discussed. An important finding of the study is that the effects of anisotropy are much more pronounced in shear-loaded plates than in compression-loaded plates. In addition, the effects of anisotropy on plates subjected to combined loadings are generally manifested as a phase shift of self-similar buckling interaction curves. A practical application of this phase shift is that the buckling resistance of long plates can be improved by applying a shear loading with a specific orientation. In all cases considered in the study, the buckling coefficients of infinitely long plates are found to be independent of the bending stiffness ratio (D sub 11/D sub 22)(1/4).

Buckling behavior of long symmetrically laminated plates subjected to combined loads

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.

1992-01-01

A parametric study of the buckling behavior of infinitely long symmetrically laminated anisotropic plates subjected to combined loadings is presented. The loading conditions considered are axial tension and compression, transverse tension and compression, and shear. Results obtained using a special purpose analysis, well suited for parametric studies are presented for clamped and simply supported plates. Moreover, results are presented for some common laminate constructions, and generic buckling design charts are presented for a wide range of parameters. The generic design charts are presented in terms of useful nondimensional parameters, and dependence of the nondimensional parameters on laminate fiber orientation, stacking sequence, and material properties is discussed. An important finding of the study is that the effects of anisotropy are much more pronounced in shear-loaded plates than in compression loaded plates. In addition, the effects of anisotropy on plates subjected to combined loadings are generally manifested as a phase shift of self-similar buckling interaction curves. A practical application of this phase shift is the buckling resistance of long plates can be improved by applying a shear loading with a specific orientation. In all cases considered, it is found that the buckling coefficients of infinitely long plates are independent of the bending stiffness ratio (D sub 11/D sub 22) sup 1/4.

Studies on the π-π stacking features of imidazole units present in a series of 5-amino-1-alkylimidazole-4-carboxamides

NASA Astrophysics Data System (ADS)

Ray, Sibdas; Das, Aniruddha

2015-06-01

Reaction of 2-ethoxymethyleneamino-2-cyanoacetamide with primary alkyl amines in acetonitrile solvent affords 1-substituted-5-aminoimidazole-4-carboxamides. Single crystal X-ray diffraction studies of these imidazole compounds show that there are both anti-parallel and syn-parallel π-π stackings between two imidazole units in parallel-displaced (PD) conformations and the distance between two π-π stacked imidazole units depends mainly on the anti/ syn-parallel nature and to some extent on the alkyl group attached to N-1 of imidazole; molecules with anti-parallel PD-stacking arrangements of the imidazole units have got vertical π-π stacking distance short enough to impart stabilization whereas the imidazole unit having syn-parallel stacking arrangement have got much larger π-π stacking distances. DFT studies on a pair of anti-parallel imidazole units of such an AICA lead to curves for 'π-π stacking stabilization energy vs. π-π stacking distance' which have got similarity with the 'Morse potential energy diagram for a diatomic molecule' and this affords to find out a minimum π-π stacking distance corresponding to the maximum stacking stabilization energy between the pair of imidazole units. On the other hand, a DFT calculation based curve for 'π-π stacking stabilization energy vs. π-π stacking distance' of a pair of syn-parallel imidazole units is shown to have an exponential nature.

Fitness in time-dependent environments includes a geometric phase contribution

PubMed Central

Tănase-Nicola, Sorin; Nemenman, Ilya

2012-01-01

Phenotypic evolution implies sequential rise in frequency of new genomic sequences. The speed of the rise depends, in part, on the relative fitness (selection coefficient) of the mutant versus the ancestor. Using a simple population dynamics model, we show that the relative fitness in dynamical environments is not equal to the geometric average of the fitness over individual environments. Instead, it includes a term that explicitly depends on the sequence of the environments. For slowly varying environments, this term depends only on the oriented area enclosed by the trajectory taken by the system in the environment state space. It is closely related to the well-studied geometric phases in classical and quantum physical systems. We discuss possible biological implications of these observations, focusing on evolution of novel metabolic or stress-resistant functions. PMID:22112653

Solid-state dewetting of single- and bilayer Au-W thin films: Unraveling the role of individual layer thickness, stacking sequence and oxidation on morphology evolution

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

Herz, A., E-mail: andreas.herz@tu-ilmenau.de, E-mail: dong.wang@tu-ilmenau.de; Franz, A.; Theska, F.

2016-03-15

Self-assembly of ultrathin Au, W, and Au-W bilayer thin films is investigated using a rapid thermal annealing technique in an inert ambient. The solid-state dewetting of Au films is briefly revisited in order to emphasize the role of initial film thickness. W films deposited onto SiO{sub 2} evolve into needle-like nanocrystals rather than forming particle-like agglomerates upon annealing at elevated temperatures. Transmission electron microscopy reveals that such nanocrystals actually consist of tungsten (VI) oxide (WO{sub 3}) which is related to an anisotropic oxide crystal growth out of the thin film. The evolution of W films is highly sensitive to themore » presence of any residual oxygen. Combination of both the dewetting of Au and the oxide crystal growth of WO{sub 3} is realized by using various bilayer film configurations of the immiscible Au and W. At low temperature, Au dewetting is initiated while oxide crystal growth is still suppressed. Depending on the stacking sequence of the Au-W bilayer thin film, W acts either as a substrate or as a passivation layer for the dewetting of Au. Being the ground layer, W changes the wettability of Au which clearly modifies its initial state for the dewetting. Being the top layer, W prevents Au from dewetting regardless of Au film thickness. Moreover, regular pattern formation of Au-WO{sub 3} nanoparticles is observed at high temperature demonstrating how bilayer thin film dewetting can create unique nanostructure arrangements.« less

A cross-stacked plasmonic nanowire network for high-contrast femtosecond optical switching.

PubMed

Lin, Yuanhai; Zhang, Xinping; Fang, Xiaohui; Liang, Shuyan

2016-01-21

We report an ultrafast optical switching device constructed by stacking two layers of gold nanowires into a perpendicularly crossed network, which works at a speed faster than 280 fs with an on/off modulation depth of about 22.4%. The two stacks play different roles in enhancing consistently the optical switching performance due to their different dependence on the polarization of optical electric fields. The cross-plasmon resonance based on the interaction between the perpendicularly stacked gold nanowires and its Fano-coupling with Rayleigh anomaly is the dominant mechanism for such a high-contrast optical switching device.

Sequence-specific DNA cleavage by Fe2+-mediated fenton reactions has possible biological implications.

PubMed

Henle, E S; Han, Z; Tang, N; Rai, P; Luo, Y; Linn, S

1999-01-08

Preferential cleavage sites have been determined for Fe2+/H2O2-mediated oxidations of DNA. In 50 mM H2O2, preferential cleavages occurred at the nucleoside 5' to each of the dG moieties in the sequence RGGG, a sequence found in a majority of telomere repeats. Within a plasmid containing a (TTAGGG)81 human telomere insert, 7-fold more strand breakage occurred in the restriction fragment with the insert than in a similar-sized control fragment. This result implies that telomeric DNA could protect coding DNA from oxidative damage and might also link oxidative damage and iron load to telomere shortening and aging. In micromolar H2O2, preferential cleavage occurred at the thymidine within the sequence RTGR, a sequence frequently found to be required in promoters for normal responses of many procaryotic and eucaryotic genes to iron or oxygen stress. Computer modeling of the interaction of Fe2+ with RTGR in B-DNA suggests that due to steric hindrance with the thymine methyl, Fe2+ associates in a specific manner with the thymine flipped out from the base stack so as to allow an octahedrally-oriented coordination of the Fe2+ with the three purine N7 residues. Fe2+-dependent changes in NMR spectra of duplex oligonucleotides containing ATGA versus those containing AUGA or A5mCGA were consistent with this model.

Deformation induced microtwins and stacking faults in aluminum single crystal.

PubMed

Han, W Z; Cheng, G M; Li, S X; Wu, S D; Zhang, Z F

2008-09-12

Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.

LONG-TERM PERFORMANCE OF SOLID OXIDE STACKS WITH ELECTRODE-SUPPORTED CELLS OPERATING IN THE STEAM ELECTROLYSIS MODE

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

J. E. O'Brien; R. C. O'Brien; X. Zhang

2011-11-01

Performance characterization and durability testing have been completed on two five-cell high-temperature electrolysis stacks constructed with advanced cell and stack technologies. The solid oxide cells incorporate a negative-electrode-supported multi-layer design with nickel-zirconia cermet negative electrodes, thin-film yttria-stabilized zirconia electrolytes, and multi-layer lanthanum ferrite-based positive electrodes. The per-cell active area is 100 cm2. The stack is internally manifolded with compliant mica-glass seals. Treated metallic interconnects with integral flow channels separate the cells. Stack compression is accomplished by means of a custom spring-loaded test fixture. Initial stack performance characterization was determined through a series of DC potential sweeps in both fuel cellmore » and electrolysis modes of operation. Results of these sweeps indicated very good initial performance, with area-specific resistance values less than 0.5 ?.cm2. Long-term durability testing was performed with A test duration of 1000 hours. Overall performance degradation was less than 10% over the 1000-hour period. Final stack performance characterization was again determined by a series of DC potential sweeps at the same flow conditions as the initial sweeps in both electrolysis and fuel cell modes of operation. A final sweep in the fuel cell mode indicated a power density of 0.356 W/cm2, with average per-cell voltage of 0.71 V at a current of 50 A.« less

Electrostatically confined trilayer graphene quantum dots

NASA Astrophysics Data System (ADS)

Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F. M.

2017-04-01

Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry EKe(m ) =-EK'h(m ) for the electron (e ) and hole (h ) states, where m is the angular momentum quantum number and K and K ' label the two valleys. The electron and hole spectra for B =0 are twofold degenerate due to the intervalley symmetry EK(m ) =EK'[-(m +1 ) ] . For both ABC [α =1.5 (1.2) for large (small) R ] and ABA (α =1 ) stackings, the lowest-energy levels show approximately a R-α dependence on the dot radius R in contrast with the 1 /R3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B , the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings.

Development and characterization of a three-dimensional radiochromic film stack dosimeter for megavoltage photon beam dosimetry.

PubMed

McCaw, Travis J; Micka, John A; DeWerd, Larry A

2014-05-01

Three-dimensional (3D) dosimeters are particularly useful for verifying the commissioning of treatment planning and delivery systems, especially with the ever-increasing implementation of complex and conformal radiotherapy techniques such as volumetric modulated arc therapy. However, currently available 3D dosimeters require extensive experience to prepare and analyze, and are subject to large measurement uncertainties. This work aims to provide a more readily implementable 3D dosimeter with the development and characterization of a radiochromic film stack dosimeter for megavoltage photon beam dosimetry. A film stack dosimeter was developed using Gafchromic(®) EBT2 films. The dosimeter consists of 22 films separated by 1 mm-thick spacers. A Virtual Water™ phantom was created that maintains the radial film alignment within a maximum uncertainty of 0.3 mm. The film stack dosimeter was characterized using simulations and measurements of 6 MV fields. The absorbed-dose energy dependence and orientation dependence of the film stack dosimeter were investigated using Monte Carlo simulations. The water equivalence of the dosimeter was determined by comparing percentage-depth-dose (PDD) profiles measured with the film stack dosimeter and simulated using Monte Carlo methods. Film stack dosimeter measurements were verified with thermoluminescent dosimeter (TLD) microcube measurements. The film stack dosimeter was also used to verify the delivery of an intensity-modulated radiation therapy (IMRT) procedure. The absorbed-dose energy response of EBT2 film differs less than 1.5% between the calibration and film stack dosimeter geometries for a 6 MV spectrum. Over a series of beam angles ranging from normal incidence to parallel incidence, the overall variation in the response of the film stack dosimeter is within a range of 2.5%. Relative to the response to a normally incident beam, the film stack dosimeter exhibits a 1% under-response when the beam axis is parallel to the film planes. Measured and simulated PDD profiles agree within a root-mean-square difference of 1.3%. In-field film stack dosimeter and TLD measurements agree within 5%, and measurements in the field penumbra agree within 0.5 mm. Film stack dosimeter and TLD measurements have expanded (k = 2) overall measurement uncertainties of 6.2% and 5.8%, respectively. Film stack dosimeter measurements of an IMRT dose distribution have 98% agreement with the treatment planning system dose calculation, using gamma criteria of 3% and 2 mm. The film stack dosimeter is capable of high-resolution, low-uncertainty 3D dose measurements, and can be readily incorporated into an existing film dosimetry program.

SANSparallel: interactive homology search against Uniprot

PubMed Central

Somervuo, Panu; Holm, Liisa

2015-01-01

Proteins evolve by mutations and natural selection. The network of sequence similarities is a rich source for mining homologous relationships that inform on protein structure and function. There are many servers available to browse the network of homology relationships but one has to wait up to a minute for results. The SANSparallel webserver provides protein sequence database searches with immediate response and professional alignment visualization by third-party software. The output is a list, pairwise alignment or stacked alignment of sequence-similar proteins from Uniprot, UniRef90/50, Swissprot or Protein Data Bank. The stacked alignments are viewed in Jalview or as sequence logos. The database search uses the suffix array neighborhood search (SANS) method, which has been re-implemented as a client-server, improved and parallelized. The method is extremely fast and as sensitive as BLAST above 50% sequence identity. Benchmarks show that the method is highly competitive compared to previously published fast database search programs: UBLAST, DIAMOND, LAST, LAMBDA, RAPSEARCH2 and BLAT. The web server can be accessed interactively or programmatically at http://ekhidna2.biocenter.helsinki.fi/cgi-bin/sans/sans.cgi. It can be used to make protein functional annotation pipelines more efficient, and it is useful in interactive exploration of the detailed evidence supporting the annotation of particular proteins of interest. PMID:25855811

Failure analysis of electrolyte-supported solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Fleischhauer, Felix; Tiefenauer, Andreas; Graule, Thomas; Danzer, Robert; Mai, Andreas; Kuebler, Jakob

2014-07-01

For solid oxide fuel cells (SOFCs) one key aspect is the structural integrity of the cell and hence its thermo mechanical long term behaviour. The present study investigates the failure mechanisms and the actual causes for fracture of electrolyte supported SOFCs which were run using the current μ-CHP system of Hexis AG, Winterthur - Switzerland under lab conditions or at customer sites for up to 40,000 h. In a first step several operated stacks were demounted for post-mortem inspection, followed by a fractographic evaluation of the failed cells. The respective findings are then set into a larger picture including an analysis of the present stresses acting on the cell like thermal and residual stresses and the measurements regarding the temperature dependent electrolyte strength. For all investigated stacks, the mechanical failure of individual cells can be attributed to locally acting bending loads, which rise due to an inhomogeneous and uneven contact between the metallic interconnect and the cell.

Deposition of a saline giant in the Mississippian Windsor Group, Nova Scotia, and the nascent Late Paleozoic Ice Age

NASA Astrophysics Data System (ADS)

MacNeil, Laura A.; Pufahl, Peir K.; James, Noel P.

2018-01-01

Saline giants are vast marine evaporite deposits that currently have no modern analogues and remain one of the most enigmatic of chemical sedimentary rocks. The Mississippian Windsor Group (ca. 345 Ma), Maritimes Basin, Atlantic Canada is a saline giant that consists of two evaporite-rich sedimentary sequences that are subdivided into five subzones. Sequence 1 is composed almost entirely of thick halite belonging to Subzone A (Osagean). Sequence 2 is in unconformable contact and comprised of stacked carbonate-evaporite peritidal cycles of Subzones B through E (Meramecian). Subzone B, the focus of research herein, documents the transition from wholly evaporitic to open marine conditions and thus, preserves an exceptional window into the processes forming saline giants. Lithofacies stacking patterns in Subzone B reveal that higher-order fluctuations in relative sea level produced nine stacked parasequences interpreted to reflect high frequency glacioeustatic oscillations during the onset of the Late Paleozoic Ice Age. Each parasequence reflects progradation of intertidal and sabkha sediments over subtidal carbonate and evaporite deposits. Dissimilarities in cycle composition between sub-basins imply the development of contrasting brine chemistries from differing recharge rates with the open ocean. What the Windsor Group shows is that evaporite type is ostensibly linked to the amplitude and frequency of sea level rise and fall during deposition. True saline giants, like the basinwide evaporites of Sequence 1, apparently require low amplitude, long frequency changes in sea level to promote the development of stable brine pools that are only periodically recharged with seawater. By contrast, the high amplitude, short frequency glacioeustatic variability in sea level that controlled the accumulation of peritidal evaporites in Subzone B produce smaller, subeconomic deposits with more complex facies relationships.

M{sub 2}X intermetallics: Nonmetal insertion in a h.c.-like metallic distribution

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

Pivan, J.Y.; Guerin, R.

A simple structural model is proposed on the basis of an ideal hexagonal close-packing (AB){sup {infinity}} of the metal atoms M. The metalloid atoms X, located in an ordered manner in the metallic planes with the stacking sequence ..(A){sup {infinity}}.. or ..(B){sup {infinity}}.., generate two types of elementary units called units U{sub I} and U{sub II}. These units are hexagonal prisms with the fundamental vectors a{sub 0}, b{sub 0}, c{sub 0} and the elementary volume V{sub 0}. When the exclusive occurrence of U{sub I} (or U{sub II}) only yields 6-prismatic and triangular sites of metalloid atoms X, additional tetrahedral andmore » pyramidal sites of X atoms are present when units U{sub I} and U{sub II} exist simultaneously. The structures of compounds with the general formula M{sub 2}X (M = 3d, 4d, 5d and (or) 4f, 5f elements, X = B, P, As, Sb, Si, Ge, {hor_ellipsis}) are described in terms of intergrowth mechanisms. Binary, ternary, or even quaternary structures of compounds, with M/X ratios equal or close to two, appear as superstructures of the elementary units. Insofar as no ordering is considered along the stacking direction, the vectorial combinations of the fundamental vectors in the form A = h.a{sub 0}+s.b{sub 0}, B = k.a{sub 0}+t.b{sub 0}, C = c{sub 0} result in supercells with the volume V = (h.t {minus} k.s).V{sub 0}. The attainable symmetry (hexagonal, tetragonal, orthorhombic, monoclinic, {hor_ellipsis}) strongly depends on the particular values of the integers h, s, k, t. The criteria of occurrence of various series of compounds are presented together with their crystallographic features and structural relationships are emphasized. Moreover, the model demonstrates that numerous compounds with the predicted unit cell parameters should be obtained in each crystal system.« less

Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysis.

PubMed

Bhogra, Meha; Ramamurty, U; Waghmare, Umesh V

2014-09-24

We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the face-centered cubic (FCC) metals Al, Cu, and Ni, through determination of the temperature-dependent free energies of intrinsic and unstable stacking faults along [1 1̄ 0] and [1 2̄ 1] on the (1 1 1) plane using first-principles density-functional-theory-based calculations. We show that vibrational contribution results in significant decrease in the free energy of barriers and intrinsic stacking faults (ISFs) of Al, Cu, and Ni with temperature, confirming an important role of thermal fluctuations in the stability of stacking faults (SFs) and deformation at elevated temperatures. In contrast to Al and Ni, the vibrational spectrum of the unstable stacking fault (USF[1 2̄ 1]) in Cu reveals structural instabilities, indicating that the energy barrier (γusf) along the (1 1 1)[1 2̄ 1] slip system in Cu, determined by typical first-principles calculations, is an overestimate, and its commonly used interpretation as the energy release rate needed for dislocation nucleation, as proposed by Rice (1992 J. Mech. Phys. Solids 40 239), should be taken with caution.

Capturing RNA Folding Free Energy with Coarse-Grained Molecular Dynamics Simulations

PubMed Central

Bell, David R.; Cheng, Sara Y.; Salazar, Heber; Ren, Pengyu

2017-01-01

We introduce a coarse-grained RNA model for molecular dynamics simulations, RACER (RnA CoarsE-gRained). RACER achieves accurate native structure prediction for a number of RNAs (average RMSD of 2.93 Å) and the sequence-specific variation of free energy is in excellent agreement with experimentally measured stabilities (R2 = 0.93). Using RACER, we identified hydrogen-bonding (or base pairing), base stacking, and electrostatic interactions as essential driving forces for RNA folding. Also, we found that separating pairing vs. stacking interactions allowed RACER to distinguish folded vs. unfolded states. In RACER, base pairing and stacking interactions each provide an approximate stability of 3–4 kcal/mol for an A-form helix. RACER was developed based on PDB structural statistics and experimental thermodynamic data. In contrast with previous work, RACER implements a novel effective vdW potential energy function, which led us to re-parameterize hydrogen bond and electrostatic potential energy functions. Further, RACER is validated and optimized using a simulated annealing protocol to generate potential energy vs. RMSD landscapes. Finally, RACER is tested using extensive equilibrium pulling simulations (0.86 ms total) on eleven RNA sequences (hairpins and duplexes). PMID:28393861

The effect of growth sequence on magnetization damping in Ta/CoFeB/MgO structures

NASA Astrophysics Data System (ADS)

Liu, Bo; Huang, Dawei; Gao, Ming; Tu, Hongqing; Wang, Kejie; Ruan, Xuezhong; Du, Jun; Cai, Jian-Wang; He, Liang; Wu, Jing; Wang, Xinran; Xu, Yongbing

2018-03-01

Magnetization damping is a key parameter to control the critical current and the switching speed in magnetic random access memory, and here we report the effect of the growth sequence on the magnetic dynamics properties of perpendicularly magnetized Ta/CoFeB/MgO structures. Ultrathin CoFeB films have been grown between Ta and MgO but with different stack sequences, i.e. substrate/Ta/CoFeB/MgO/Ta and substrate/Ta/MgO/CoFeB/Ta. The magnetization dynamics induced by femtosecond laser was investigated by using all-optical pump-probe measurements. We found that the Gilbert damping constant was modulated by reversing stack structures, which offers the potential to tune the damping parameter by the growth sequence. The Gilbert damping constant was enhanced from 0.017 for substrate/Ta/CoFeB/MgO/Ta to 0.027 for substrate/Ta/MgO/CoFeB/Ta. We believe that this enhancement originates from the increase of intermixing at the CoFeB/Ta when the Ta atom layer was grown after the CoFeB layer.

Stacking fault density and bond orientational order of fcc ruthenium nanoparticles

NASA Astrophysics Data System (ADS)

Seo, Okkyun; Sakata, Osami; Kim, Jae Myung; Hiroi, Satoshi; Song, Chulho; Kumara, Loku Singgappulige Rosantha; Ohara, Koji; Dekura, Shun; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi

2017-12-01

We investigated crystal structure deviations of catalytic nanoparticles (NPs) using synchrotron powder X-ray diffraction. The samples were fcc ruthenium (Ru) NPs with diameters of 2.4, 3.5, 3.9, and 5.4 nm. We analyzed average crystal structures by applying the line profile method to a stacking fault model and local crystal structures using bond orientational order (BOO) parameters. The reflection peaks shifted depending on rules that apply to each stacking fault. We evaluated the quantitative stacking faults densities for fcc Ru NPs, and the stacking fault per number of layers was 2-4, which is quite large. Our analysis shows that the fcc Ru 2.4 nm-diameter NPs have a considerably high stacking fault density. The B factor tends to increase with the increasing stacking fault density. A structural parameter that we define from the BOO parameters exhibits a significant difference from the ideal value of the fcc structure. This indicates that the fcc Ru NPs are highly disordered.

Direct Free Carrier Photogeneration in Single Layer and Stacked Organic Photovoltaic Devices.

PubMed

Chandran, Hrisheekesh Thachoth; Ng, Tsz-Wai; Foo, Yishu; Li, Ho-Wa; Qing, Jian; Liu, Xiao-Ke; Chan, Chiu-Yee; Wong, Fu-Lung; Zapien, Juan Antonio; Tsang, Sai-Wing; Lo, Ming-Fai; Lee, Chun-Sing

2017-06-01

High performance organic photovoltaic devices typically rely on type-II P/N junctions for assisting exciton dissociation. Heremans and co-workers recently reported a high efficiency device with a third organic layer which is spatially separated from the active P/N junction; but still contributes to the carrier generation by passing its energy to the P/N junction via a long-range exciton energy transfer mechanism. In this study the authors show that there is an additional mechanism contributing to the high efficiency. Some bipolar materials (e.g., subnaphthalocyanine chloride (SubNc) and subphthalocyanine chloride (SubPc)) are observed to generate free carriers much more effectively than typical organic semiconductors upon photoexcitation. Single-layer devices with SubNc or SubPc sandwiched between two electrodes can give power conversion efficiencies 30 times higher than those of reported single-layer devices. In addition, internal quantum efficiencies (IQEs) of bilayer devices with opposite stacking sequences (i.e., SubNc/SubPc vs SubPc/SubNc) are found to be the sum of IQEs of single layer devices. These results confirm that SubNc and SubPc can directly generate free carriers upon photoexcitation without assistance from a P/N junction. These allow them to be stacked onto each other with reversible sequence or simply stacking onto another P/N junction and contribute to the photocarrier generation. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

DOE PAGES

Zhang, Lihua; Su, Dong; Kisslinger, Kim; ...

2014-12-04

Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted regionmore » with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.« less

Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

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

Zhang, Lihua; Su, Dong; Kisslinger, Kim

Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted regionmore » with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.« less

Mutation Scanning in a Single and a Stacked Genetically Modified (GM) Event by Real-Time PCR and High Resolution Melting (HRM) Analysis

PubMed Central

Ben Ali, Sina-Elisabeth; Madi, Zita Erika; Hochegger, Rupert; Quist, David; Prewein, Bernhard; Haslberger, Alexander G.; Brandes, Christian

2014-01-01

Genetic mutations must be avoided during the production and use of seeds. In the European Union (EU), Directive 2001/18/EC requires any DNA construct introduced via transformation to be stable. Establishing genetic stability is critical for the approval of genetically modified organisms (GMOs). In this study, genetic stability of two GMOs was examined using high resolution melting (HRM) analysis and real-time polymerase chain reaction (PCR) employing Scorpion primers for amplification. The genetic variability of the transgenic insert and that of the flanking regions in a single oilseed rape variety (GT73) and a stacked maize (MON88017 × MON810) was studied. The GT73 and the 5' region of MON810 showed no instabilities in the examined regions. However; two out of 100 analyzed samples carried a heterozygous point mutation in the 3' region of MON810 in the stacked variety. These results were verified by direct sequencing of the amplified PCR products as well as by sequencing of cloned PCR fragments. The occurrence of the mutation suggests that the 5' region is more suitable than the 3' region for the quantification of MON810. The identification of the single nucleotide polymorphism (SNP) in a stacked event is in contrast to the results of earlier studies of the same MON810 region in a single event where no DNA polymorphism was found. PMID:25365178

Multi-mJ energy extraction using Yb-fiber based coherent pulse stacking amplification of fs pulses (Conference Presentation)

NASA Astrophysics Data System (ADS)

Ruppe, John M.; Pei, Hanzhang; Chen, Siyun; Sheikhsofla, Morteza; Wilcox, Russell B.; Nees, John A.; Galvanauskas, Almantas

2017-03-01

We report multi-mJ energy (>5mJ) extraction from femtosecond-pulse Yb-doped fiber CPA using coherent pulse stacking amplification (CPSA) technique. This high energy extraction has been enabled by amplifying 10's of nanosecond long pulse sequence, and by using 85-µm core Yb-doped CCC fiber based power amplification stage. The CPSA system consists of 1-GHz repetition rate mode-locked fiber oscillator, followed by a pair of fast phase and amplitude electro-optic modulators, a diffraction-grating based pulse stretcher, a fiber amplifier chain, a GTI-cavity based pulse stacker, and a diffraction grating pulse compressor. Electro-optic modulators are used to carve out from the 1-GHz mode-locked pulse train an amplitude and phase modulated pulse burst, which after stretching and amplification, becomes equal-amplitude pulse burst consisting of 27 stretched pulses, each approximately 1-ns long. Initial pulse-burst shaping accounts for the strong amplifier saturation effects, so that it is compensated at the power amplifier output. This 27-pulse burst is then coherently stacked into a single pulse using a multiplexed sequence of 5 GTI cavities. The compact-footprint 4+1 multiplexed pulse stacker consists of 4 cavities having rountrip of 1 ns, and one Herriott-cell folded cavity - with 9ns roundtrip. After stacking, stretched pulses are compressed down to the bandwidth-limited 300 fs duration using a standard diffraction-grating pulse compressor.

Fluorometric graphene oxide-based detection of Salmonella enteritis using a truncated DNA aptamer.

PubMed

Chinnappan, Raja; AlAmer, Saleh; Eissa, Shimaa; Rahamn, Anas Abdel; Abu Salah, Khalid M; Zourob, Mohammed

2017-12-18

The work describes a fluorescence-based study for mapping the highest affinity truncated aptamer from the full length sequence and its integration in a graphene oxide platform for the detection of Salmonella enteriditis. To identify the best truncated sequence, molecular beacons and a displacement assay design are applied. In the fluorescence displacement assay, the truncated aptamer was hybridized with fluorescein and quencher-labeled complementary sequences to form a fluorescence/quencher pair. In the presence of S. enteritidis, the aptamer dissociates from the complementary labeled oligonucleotides and thus, the fluorescein/quencher pair becomes physically separated. This leads to an increase in fluorescence intensity. One of the truncated aptamers identified has a 2-fold lower dissociation constant (3.2 nM) compared to its full length aptamer (6.3 nM). The truncated aptamer selected in this process was used to develop a fluorometric graphene oxide (GO) based assay. If fluorescein-labeled aptamer is adsorbed on GO via π stacking interaction, fluorescence is quenched. However, in the presence of target (S. enteriditis), the labeled aptamers is released from surface to form a stable complex with the bacteria and fluorescence is restored, depending on the quantity of bacteria being present. The resulting assay has an unsurpassed detection limit of 25 cfu·mL -1 in the best case. The cross reactivity to Salmonella typhimurium, Staphylococcus aureus and Escherichia coli is negligible. The assay was applied to analyze doped milk samples for and gave good recovery. Thus, we believe that the truncated aptamer/graphene oxide platform is a potential tool for the detection of S. Enteritidis. Graphical abstract Fluorescently labelled aptamer against Salmonella enteritidis was adsorbed on the surface of graphene oxide by π-stacking interaction. This results in quenching of the fluorescence of the label. Addition of Salmonella enteritidis restores fluorescence, and this effect is used for quantification of this food-borne pathogen.

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

Ghosh, S.K.; Zambrano, E.

The Trujillo Formation, overlying the Paleocene Cerro Verde and Valle Hondo formations, reveals a turbiditic origin in a lowstand shelf-edge and bathyal setting in two excellent road sections on the Valera-Carache road and many creek sections. The basal outcrop shows well developed fining upward (FU) sequences of proximal channel turbidite and overbank origin (abandonment phase) and minor coarsening upward (CU) sequences representing progradational pulse in overbank areas. The FU (and thinning-upward) sequence, overlying a shale, consists of: (a) basal stacked conglomeratic arenites (probably inner fan channels) with graded beds, imbricate casts and transported shells; (b) a sand/shale alternating unit (channelmore » margin/interchannel) with flame structure, lenticular bedding, infrequent Tb-d Sequence, rippled flats, and rare Planolites; and (c) a dark shale (overbank-interchannel lows) with scarce Chondrites and Scaladtuba traces. The CU sequence consists of thickening-upward heterolithic facies overlain by lenticular stacked pebbly arenites. The upper unit exposed near Puente Gomez is a typical progradational lobe starting with a basal shale, with intraformational diastems and slumped beds, and Tb-d and Tb-e sequences in thin intercalated sandstones; a heterolithic facies with flute/groove casts, Planolites, Thalassinoides and Neonereites occurs between the shale and a thick cross-stratified sandstone at the top. This CU lobe sequence is discordantly(?) overlain by a thin wedge of massive bedded pebbly sandstones of Middle Eocene(?) Misoa Formation. Unlike the southwesterly sourced subsurface turbidites, those in this area were probably sourced from both the south and north, though locally the southern source might have been more important.« less

Identification of Biomolecular Building Blocks by Recognition Tunneling: Stride towards Nanopore Sequencing of Biomolecules

NASA Astrophysics Data System (ADS)

Sen, Suman

DNA, RNA and Protein are three pivotal biomolecules in human and other organisms, playing decisive roles in functionality, appearance, diseases development and other physiological phenomena. Hence, sequencing of these biomolecules acquires the prime interest in the scientific community. Single molecular identification of their building blocks can be done by a technique called Recognition Tunneling (RT) based on Scanning Tunneling Microscope (STM). A single layer of specially designed recognition molecule is attached to the STM electrodes, which trap the targeted molecules (DNA nucleoside monophosphates, RNA nucleoside monophosphates or amino acids) inside the STM nanogap. Depending on their different binding interactions with the recognition molecules, the analyte molecules generate stochastic signal trains accommodating their "electronic fingerprints". Signal features are used to detect the molecules using a machine learning algorithm and different molecules can be identified with significantly high accuracy. This, in turn, paves the way for rapid, economical nanopore sequencing platform, overcoming the drawbacks of Next Generation Sequencing (NGS) techniques. To read DNA nucleotides with high accuracy in an STM tunnel junction a series of nitrogen-based heterocycles were designed and examined to check their capabilities to interact with naturally occurring DNA nucleotides by hydrogen bonding in the tunnel junction. These recognition molecules are Benzimidazole, Imidazole, Triazole and Pyrrole. Benzimidazole proved to be best among them showing DNA nucleotide classification accuracy close to 99%. Also, Imidazole reader can read an abasic monophosphate (AP), a product from depurination or depyrimidination that occurs 10,000 times per human cell per day. In another study, I have investigated a new universal reader, 1-(2-mercaptoethyl)pyrene (Pyrene reader) based on stacking interactions, which should be more specific to the canonical DNA nucleosides. In addition, Pyrene reader showed higher DNA base-calling accuracy compare to Imidazole reader, the workhorse in our previous projects. In my other projects, various amino acids and RNA nucleoside monophosphates were also classified with significantly high accuracy using RT. Twenty naturally occurring amino acids and various RNA nucleosides (four canonical and two modified) were successfully identified. Thus, we envision nanopore sequencing biomolecules using Recognition Tunneling (RT) that should provide comprehensive betterment over current technologies in terms of time, chemical and instrumental cost and capability of de novo sequencing.

Crystal structure of Cr-bearing Mg3BeAl8O16, a new polytype of magnesiotaaffeite-2N'2S.

PubMed

Malcherek, Thomas; Schlüter, Jochen

2016-07-01

The crystal structure of a new polytype of magnesiotaaffeite-2N'2S, ideally Mg3BeAl8O16 (trimagnesium beryllium octa-aluminium hexa-deca-oxide), is described in space-group symmetry P-3m1. It has been identified in a fragment of a mineral sample from Burma (Myanmar). The new polytype is composed of two Mg2Al4O8 (S)- and two BeMgAl4O8 (N')-modules in a stacking sequence N'SSN'' which differs from the N'SN'S-stacking sequence of the known magnesiotaaffeite-2N'2S polytype. The crystal structure can be derived from a close-packed arrangement of O atoms and is discussed with regard to its polytypism and its Cr(3+) chromophore content.

The effects of stacking sequence and thermal cycling on the flexural properties of laminate composites of aluminium-epoxy/basalt-glass fibres

NASA Astrophysics Data System (ADS)

Abdollahi Azghan, Mehdi; Eslami-Farsani, Reza

2018-02-01

The current study aimed at investigating the effects of different stacking sequences and thermal cycling on the flexural properties of fibre metal laminates (FMLs). FMLs were composed of two aluminium alloy 2024-T3 sheets and epoxy polymer-matrix composites that have four layers of basalt and/or glass fibres with five different stacking sequences. For FML samples the thermal cycle time was about 6 min for temperature cycles from 25 °C to 115 °C. Flexural properties of samples evaluated after 55 thermal cycles and compared to non-exposed samples. Surface modification of aluminium performed by electrochemical treatment (anodizing) method and aluminium surfaces have been examined by scanning electron microscopy (SEM). Also, the flexural failure mechanisms investigated by the optical microscope study of fractured surfaces. SEM images indicated that the porosity of the aluminium surface increased after anodizing process. The findings of the present study showed that flexural modulus were maximum for basalt fibres based FML, minimum for glass fibres based FML while basalt/glass fibres based FML lies between them. Due to change in the failure mechanism of basalt/glass fibres based FMLs that have glass fibres at outer layer of the polymer composite, the flexural strength of this FML is lower than glass and basalt fibres based FML. After thermal cycling, due to the good thermal properties of basalt fibres, flexural properties of basalt fibres based FML structures decreased less than other composites.

Phosphoric and electric utility fuel cell technology development

NASA Astrophysics Data System (ADS)

Breault, R. D.; Briggs, T. A.; Congdon, J. V.; Demarche, T. E.; Gelting, R. L.; Goller, G. J.; Luoma, W. I.; McCloskey, M. W.; Mientek, A. P.; Obrien, J. J.

1984-01-01

The advancement of electric utility cell stack technology and reduction of cell stack cost was initiated. The cell stack has a nominal 10 ft (2) active area and operates at 120 psia/405(0)F. The program comprises six parallel phases, which culminate in a full height, 10-ft(2) stack verification test: (1) provides the information and services needed to manage the effort, including definition of the prototype commercial power plant; (2) develops the technical base for long term improvements to the cell stack; (3) develops materials and processing techniques for cell stack components incorporating the best available technology; (4) provides the design of hardware and conceptual processing layouts, and updates the power plant definition of Phase 1 to reflect the results of Phases 2 and 3; Phase 5 manufactures the hardware to verify the achievements of Phases 2 and 3, and analyzes the cost of this hardware; and Phase 6 tests the cell stacks assembled from the hardware of Phase 5 to assess the state of development.

A study on the resistance switching of Ag2Se and Ta2O5 heterojunctions using structural engineering

NASA Astrophysics Data System (ADS)

Lee, Tae Sung; Lee, Nam Joo; Abbas, Haider; Hu, Quanli; Yoon, Tae-Sik; Lee, Hyun Ho; Le Shim, Ee; Kang, Chi Jung

2018-01-01

The resistive random access memory (RRAM) devices with heterostuctures have been investigated due to cycling stability, nonlinear switching, complementary resistive switching and self-compliance. The heterostructured devices can modulate the resistive switching (RS) behavior appropriately by bilayer structure with a variety of materials. In this study, the bipolar resistive switching characteristics of the bilayer structures composed of Ta2O5 and Ag2Se, which are transition-metal oxide (TMO) and silver chalcogenide, were investigated. The bilayer devices of Ta2O5 deposited on Ag2Se (Ta2O5/Ag2Se) and Ag2Se deposited on Ta2O5 (Ag2Se/Ta2O5) were fabricated for investigation of the RS characteristics by stacking sequence of Ta2O5 and Ag2Se. All operating voltages were applied to the Ag top electrode with the Pt bottom electrode grounded. The Ta2O5/Ag2Se device showed that a negative voltage sweep switched the device from high resistance state (HRS) to low resistance state (LRS) and a positive voltage sweep switched the device from LRS to HRS. On the contrary, for the Ag2Se/Ta2O5 device a positive voltage sweep switched the device from HRS to LRS, and a negative voltage sweep switched it from LRS to HRS. The polarity dependence of RS was attributed to the stacking sequence of Ta2O5 and Ag2Se. In addition, the combined heterostructured device of both bilayer stacks, Ta2O5/Ag2Se and Ag2Se/Ta2O5, exhibited the complementary switching characteristics. By using threshold switching devices, sneak path leakage can be reduced without additional selectors. The bilayer heterostructures of Ta2O5 and Ag2Se have various advantages such as self-compliance, reproducibility and forming-free stable RS. It confirms the possible applications of TMO and silver chalcogenide heterostructures in RRAM.

Unveiling Stability Criteria of DNA-Carbon Nanotubes Constructs by Scanning Tunneling Microscopy and Computational Modeling

DOE PAGES

Kilina, Svetlana; Yarotski, Dzmitry A.; Talin, A. Alec; ...

2011-01-01

We present a combined approach that relies on computational simulations and scanning tunneling microscopy (STM) measurements to reveal morphological properties and stability criteria of carbon nanotube-DNA (CNT-DNA) constructs. Application of STM allows direct observation of very stable CNT-DNA hybrid structures with the well-defined DNA wrapping angle of 63.4 ° and a coiling period of 3.3 nm. Using force field simulations, we determine how the DNA-CNT binding energy depends on the sequence and binding geometry of a single strand DNA. This dependence allows us to quantitatively characterize the stability of a hybrid structure with an optimal π-stacking between DNA nucleotides and themore » tube surface and better interpret STM data. Our simulations clearly demonstrate the existence of a very stable DNA binding geometry for (6,5) CNT as evidenced by the presence of a well-defined minimum in the binding energy as a function of an angle between DNA strand and the nanotube chiral vector. This novel approach demonstrates the feasibility of CNT-DNA geometry studies with subnanometer resolution and paves the way towards complete characterization of the structural and electronic properties of drug-delivering systems based on DNA-CNT hybrids as a function of DNA sequence and a nanotube chirality.« less

The structure of ice crystallized from supercooled water

NASA Astrophysics Data System (ADS)

Murray, Benjamin

2013-03-01

The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. Traditionally ice was thought to exist in two well-crystalline forms: stable hexagonal ice and metastable cubic ice. It has recently been shown, using X-ray diffraction data, that ice which crystallizes homogeneously and heterogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I (ice Isd) . This result is consistent with a number of computational studies of the crystallization of water. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder, which raises the question of whether cubic ice exists. New data will be presented which shows significant stacking disorder (or stacking faults on the order of 1 in every 100 layers of ice Ih) in droplets which froze heterogeneously as warm as 257 K. The identification of stacking-disordered ice from heterogeneous ice nucleation supports the hypothesis that the structure of ice that initially crystallises from supercooled water is stacking-disordered ice I, independent of nucleation mechanism, but this ice can relax to the stable hexagonal phase subject to the kinetics of recrystallization. The formation and persistence of stacking disordered ice in the Earth's atmosphere will also be discussed. Funded by the European Research Council (FP7, 240449 ICE)

Wide angle and narrow-band asymmetric absorption in visible and near-infrared regime through lossy Bragg stacks

PubMed Central

Shu, Shiwei; Zhan, Yawen; Lee, Chris; Lu, Jian; Li, Yang Yang

2016-01-01

Absorber is an important component in various optical devices. Here we report a novel type of asymmetric absorber in the visible and near-infrared spectrum which is based on lossy Bragg stacks. The lossy Bragg stacks can achieve near-perfect absorption at one side and high reflection at the other within the narrow bands (several nm) of resonance wavelengths, whereas display almost identical absorption/reflection responses for the rest of the spectrum. Meanwhile, this interesting wavelength-selective asymmetric absorption behavior persists for wide angles, does not depend on polarization, and can be ascribed to the lossy characteristics of the Bragg stacks. Moreover, interesting Fano resonance with easily tailorable peak profiles can be realized using the lossy Bragg stacks. PMID:27251768

Multi-color γ-rays from comb-like electron beams driven by incoherent stacks of laser pulses

NASA Astrophysics Data System (ADS)

Kalmykov, S. Y.; Davoine, X.; Ghebregziabher, I.; Shadwick, B. A.

2017-03-01

Trains of fs-length, GeV-scale electron bunches with controlled energy spacing and a 5-D brightness up to 1017 A/m2 may be produced in a mm-scale uniform plasma. The main element of the scheme is an incoherent stack of 10-TW-scale laser pulses of different colors, with mismatched focal spots, with the highest-frequency pulse advanced in time. While driving an electron density bubble, this stack remains almost proof against nonlinear red-shift and self-compression. As a consequence, the unwanted continuous injection of background electrons is minimized. Weak focusing of the trailing (lower-frequency) component of the stack enforces expansions and contractions of the bubble, inducing controlled periodic injection. The resulting train of electron bunches maintains exceptional quality while being accelerated beyond the energy limits predicted by accepted scalings. Inverse Thomson scattering from this comb-like beam generates a sequence of quasi-monochromatic, fs-length γ-ray beams, an asset for nuclear forensics and pump-probe experiments in dense plasmas.

Parsing recursive sentences with a connectionist model including a neural stack and synaptic gating.

PubMed

Fedor, Anna; Ittzés, Péter; Szathmáry, Eörs

2011-02-21

It is supposed that humans are genetically predisposed to be able to recognize sequences of context-free grammars with centre-embedded recursion while other primates are restricted to the recognition of finite state grammars with tail-recursion. Our aim was to construct a minimalist neural network that is able to parse artificial sentences of both grammars in an efficient way without using the biologically unrealistic backpropagation algorithm. The core of this network is a neural stack-like memory where the push and pop operations are regulated by synaptic gating on the connections between the layers of the stack. The network correctly categorizes novel sentences of both grammars after training. We suggest that the introduction of the neural stack memory will turn out to be substantial for any biological 'hierarchical processor' and the minimalist design of the model suggests a quest for similar, realistic neural architectures. Copyright © 2010 Elsevier Ltd. All rights reserved.

Raman Signatures of Polytypism in Molybdenum Disulfide.

PubMed

Lee, Jae-Ung; Kim, Kangwon; Han, Songhee; Ryu, Gyeong Hee; Lee, Zonghoon; Cheong, Hyeonsik

2016-02-23

Since the stacking order sensitively affects various physical properties of layered materials, accurate determination of the stacking order is important for studying the basic properties of these materials as well as for device applications. Because 2H-molybdenum disulfide (MoS2) is most common in nature, most studies so far have focused on 2H-MoS2. However, we found that the 2H, 3R, and mixed stacking sequences exist in few-layer MoS2 exfoliated from natural molybdenite crystals. The crystal structures are confirmed by HR-TEM measurements. The Raman signatures of different polytypes are investigated by using three different excitation energies that are nonresonant and resonant with A and C excitons, respectively. The low-frequency breathing and shear modes show distinct differences for each polytype, whereas the high-frequency intralayer modes show little difference. For resonant excitations at 1.96 and 2.81 eV, distinct features are observed that enable determination of the stacking order.

Interlayer‐State‐Coupling Dependent Ultrafast Charge Transfer in MoS2/WS2 Bilayers

PubMed Central

Zhang, Jin; Hong, Hao; Lian, Chao; Ma, Wei; Xu, Xiaozhi; Zhou, Xu; Fu, Huixia

2017-01-01

Light‐induced interlayer ultrafast charge transfer in 2D heterostructures provides a new platform for optoelectronic and photovoltaic applications. The charge separation process is generally hypothesized to be dependent on the interlayer stackings and interactions, however, the quantitative characteristic and detailed mechanism remain elusive. Here, a systematical study on the interlayer charge transfer in model MoS2/WS2 bilayer system with variable stacking configurations by time‐dependent density functional theory methods is demonstrated. The results show that the slight change of interlayer geometry can significantly modulate the charge transfer time from 100 fs to 1 ps scale. Detailed analysis further reveals that the transfer rate in MoS2/WS2 bilayers is governed by the electronic coupling between specific interlayer states, rather than the interlayer distances, and follows a universal dependence on the state‐coupling strength. The results establish the interlayer stacking as an effective freedom to control ultrafast charge transfer dynamics in 2D heterostructures and facilitate their future applications in optoelectronics and light harvesting. PMID:28932669

Design and fabrication of silver-hydrogen cells

NASA Technical Reports Server (NTRS)

Klein, M. G.

1975-01-01

The design and fabrication of silver-hydrogen secondary cells capable of delivering higher energy densities than comparable nickel-cadmium and nickel-hydrogen cells and relatively high cycle life is presented. An experimental task utilizing single electrode pairs for the optimization of the individual electrode components, the preparation of a design for lightweight 20Ahr cells, and the fabrication of four 20Ahr cells in heavy wall test housing containing electrode stacks of the lightweight design are described. The design approach is based on the use of a single cylindrical self-contained cell with a stacked disc sequence of electrodes. The electrode stack design is based on the use of NASA- Astropower Separator Material, PPF fuel cell anodes, an intercell electrolyte reservoir concept and sintered silver electrodes. Results of performance tests are given.

A double chain reversal loop and two diagonal loops define the architecture of a unimolecular DNA quadruplex containing a pair of stacked G(syn)-G(syn)-G(anti)-G(anti) tetrads flanked by a G-(T-T) Triad and a T-T-T triple.

PubMed

Kuryavyi, V; Majumdar, A; Shallop, A; Chernichenko, N; Skripkin, E; Jones, R; Patel, D J

2001-06-29

The architecture of G-G-G-G tetrad-aligned DNA quadruplexes in monovalent cation solution is dependent on the directionality of the four strands, which in turn are defined by loop connectivities and the guanine syn/anti distribution along individual strands and within individual G-G-G-G tetrads. The smallest unimolecular G-quadruplex belongs to the d(G2NnG2NnG2NnG2) family, which has the potential to form two stacked G-tetrads linked by Nn loop connectivities. Previous studies have focused on the thrombin-binding DNA aptamer d(G2T2G2TGTG2T2G2), where Nn was T2 for the first and third connecting loops and TGT for the middle connecting loop. This DNA aptamer in K(+) cation solution forms a unimolecular G-quadruplex stabilized by two stacked G(syn)-G(anti)-G(syn)-G(anti) tetrads, adjacent strands which are antiparallel to each other and edge-wise connecting T2, TGT and T2 loops. We now report on the NMR-based solution structure of the d(G2T4G2CAG2GT4G2T) sequence, which differs from the thrombin-binding DNA aptamer sequence in having longer first (T4) and third (GT4) loops and a shorter (CA) middle loop. This d(G2T4G2CAG2GT4G2T) sequence in Na(+) cation solution forms a unimolecular G-quadruplex stabilized by two stacked G(syn)-G(syn)-G(anti)-G(anti) tetrads, adjacent strands which have one parallel and one antiparallel neighbors and distinct non-edge-wise loop connectivities. Specifically, the longer first (T4) and third (GT4) loops are of the diagonal type while the shorter middle loop is of the double chain reversal type. In addition, the pair of stacked G-G-G-G tetrads are flanked on one side by a G-(T-T) triad and on the other side by a T-T-T triple. The distinct differences in strand directionalities, loop connectivities and syn/anti distribution within G-G-G-G tetrads between the thrombin-binding DNA aptamer d(G2T2G2TGTG2T2G2) quadruplex reported previously, and the d(G2T4G2CAG2GT4G2T) quadruplex reported here, reinforces the polymorphic nature of higher-order DNA architectures. Further, these two small unimolecular G-quadruplexes, which are distinct from each other and from parallel-stranded G-quadruplexes, provide novel targets for ligand recognition. Our results demonstrate that the double chain reversal loop connectivity identified previously by our laboratory within the Tetrahymena telomere d(T2G4)4 quadruplex, is a robust folding topology, since it has now also been observed within the d(G2T4G2CAG2GT4G2T) quadruplex. The identification of a G-(T-T) triad and a T-T-T triple, expands on the available recognition alignments for base triads and triples. Copyright 2001 Academic Press.

Synthesis of MAX Phases in the Hf-Al-C System.

PubMed

Lapauw, Thomas; Tunca, Bensu; Cabioc'h, Thierry; Lu, Jun; Persson, Per O Å; Lambrinou, Konstantina; Vleugels, Jozef

2016-11-07

For the first time, MAX phases in the Hf-Al-C system were experimentally synthesized using reactive hot pressing. HfC was observed as the main competing phase. The lattice parameters of Hf 2 AlC and Hf 3 AlC 2 were determined by Rietveld refinement based on the X-ray diffraction data. The atomic stacking sequence was revealed by high-resolution scanning transmission electron microscopy. Mixtures of 211 and 312 stacking were observed within the same grain, including 523 layers. This transition in atomic structure is discussed.

Landau-type expansion for the energy landscape of the designed heteropolymer

NASA Astrophysics Data System (ADS)

Grosberg, Alexander; Pande, Vijay; Tanaka, Toyoichi

1997-03-01

The concept of evolutional optimization of heteropolymer sequences is used to construct the phenomenological theory describing folding/unfoolding kinetics of the polymers with designed sequences. The relevant energy landscape is described in terms of Landau expansion over the powers of the overlap parameter of the current and the native conformations. It is shown that only linear term is sequence (mutation) dependent, the rest being determined by the underlying conformational geometry. The theory os free of the assumptions of the uncorrelated energy landscape type. We demonstrate the power of the theory by comparing data to the simulations and experiments.

Extent and relevance of stacking disorder in “ice Ic”

PubMed Central

Kuhs, Werner F.; Sippel, Christian; Falenty, Andrzej; Hansen, Thomas C.

2012-01-01

A solid water phase commonly known as “cubic ice” or “ice Ic” is frequently encountered in various transitions between the solid, liquid, and gaseous phases of the water substance. It may form, e.g., by water freezing or vapor deposition in the Earth’s atmosphere or in extraterrestrial environments, and plays a central role in various cryopreservation techniques; its formation is observed over a wide temperature range from about 120 K up to the melting point of ice. There was multiple and compelling evidence in the past that this phase is not truly cubic but composed of disordered cubic and hexagonal stacking sequences. The complexity of the stacking disorder, however, appears to have been largely overlooked in most of the literature. By analyzing neutron diffraction data with our stacking-disorder model, we show that correlations between next-nearest layers are clearly developed, leading to marked deviations from a simple random stacking in almost all investigated cases. We follow the evolution of the stacking disorder as a function of time and temperature at conditions relevant to atmospheric processes; a continuous transformation toward normal hexagonal ice is observed. We establish a quantitative link between the crystallite size established by diffraction and electron microscopic images of the material; the crystallite size evolves from several nanometers into the micrometer range with progressive annealing. The crystallites are isometric with markedly rough surfaces parallel to the stacking direction, which has implications for atmospheric sciences. PMID:23236184

Develop and test fuel cell powered on-site integrated total energy system

NASA Technical Reports Server (NTRS)

Kaufman, A.; Feigenbaum, H.; Wang, C. L.; Werth, J.; Whelan, J. A.

1983-01-01

Test results are presented for a 24 cell, two sq ft (4kW) stack. This stack is a precursor to a 25kW stack that is a key milestone. Results are discussed in terms of cell performance, electrolyte management, thermal management, and reactant gas manifolding. The results obtained in preliminary testing of a 50kW methanol processing subsystem are discussed. Subcontracting activities involving application analysis for fuel cell on site integrated energy systems are updated.

NASA Non-Flow-Through PEM Fuel Cell System for Aerospace Applications

NASA Technical Reports Server (NTRS)

Araghi, Koorosh R.

2011-01-01

NASA is researching passive NFT Proton Exchange Membrane (PEM) fuel cell technologies for primary fuel cell power plants in air-independent applications. NFT fuel cell power systems have a higher power density than flow through systems due to both reduced parasitic loads and lower system mass and volume. Reactant storage still dominates system mass/volume considerations. NFT fuel cell stack testing has demonstrated equivalent short term performance to flow through stacks. More testing is required to evaluate long-term performance.

Development and characterization of a three-dimensional radiochromic film stack dosimeter for megavoltage photon beam dosimetry

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

McCaw, Travis J., E-mail: mccaw@wisc.edu; Micka, John A.; DeWerd, Larry A.

Purpose: Three-dimensional (3D) dosimeters are particularly useful for verifying the commissioning of treatment planning and delivery systems, especially with the ever-increasing implementation of complex and conformal radiotherapy techniques such as volumetric modulated arc therapy. However, currently available 3D dosimeters require extensive experience to prepare and analyze, and are subject to large measurement uncertainties. This work aims to provide a more readily implementable 3D dosimeter with the development and characterization of a radiochromic film stack dosimeter for megavoltage photon beam dosimetry. Methods: A film stack dosimeter was developed using Gafchromic{sup ®} EBT2 films. The dosimeter consists of 22 films separated bymore » 1 mm-thick spacers. A Virtual Water™ phantom was created that maintains the radial film alignment within a maximum uncertainty of 0.3 mm. The film stack dosimeter was characterized using simulations and measurements of 6 MV fields. The absorbed-dose energy dependence and orientation dependence of the film stack dosimeter were investigated using Monte Carlo simulations. The water equivalence of the dosimeter was determined by comparing percentage-depth-dose (PDD) profiles measured with the film stack dosimeter and simulated using Monte Carlo methods. Film stack dosimeter measurements were verified with thermoluminescent dosimeter (TLD) microcube measurements. The film stack dosimeter was also used to verify the delivery of an intensity-modulated radiation therapy (IMRT) procedure. Results: The absorbed-dose energy response of EBT2 film differs less than 1.5% between the calibration and film stack dosimeter geometries for a 6 MV spectrum. Over a series of beam angles ranging from normal incidence to parallel incidence, the overall variation in the response of the film stack dosimeter is within a range of 2.5%. Relative to the response to a normally incident beam, the film stack dosimeter exhibits a 1% under-response when the beam axis is parallel to the film planes. Measured and simulated PDD profiles agree within a root-mean-square difference of 1.3%. In-field film stack dosimeter and TLD measurements agree within 5%, and measurements in the field penumbra agree within 0.5 mm. Film stack dosimeter and TLD measurements have expanded (k = 2) overall measurement uncertainties of 6.2% and 5.8%, respectively. Film stack dosimeter measurements of an IMRT dose distribution have 98% agreement with the treatment planning system dose calculation, using gamma criteria of 3% and 2 mm. Conclusions: The film stack dosimeter is capable of high-resolution, low-uncertainty 3D dose measurements, and can be readily incorporated into an existing film dosimetry program.« less

Prolonging fuel cell stack lifetime based on Pontryagin's Minimum Principle in fuel cell hybrid vehicles and its economic influence evaluation

NASA Astrophysics Data System (ADS)

Zheng, C. H.; Xu, G. Q.; Park, Y. I.; Lim, W. S.; Cha, S. W.

2014-02-01

The lifetime of fuel cell stacks is a major issue currently, especially for automotive applications. In order to take into account the lifetime of fuel cell stacks while considering the fuel consumption minimization in fuel cell hybrid vehicles (FCHVs), a Pontryagin's Minimum Principle (PMP)-based power management strategy is proposed in this research. This strategy has the effect of prolonging the lifetime of fuel cell stacks. However, there is a tradeoff between the fuel cell stack lifetime and the fuel consumption when this strategy is applied to an FCHV. Verifying the positive economic influence of this strategy is necessary in order to demonstrate its superiority. In this research, the economic influence of the proposed strategy is assessed according to an evaluating cost which is dependent on the fuel cell stack cost, the hydrogen cost, the fuel cell stack lifetime, and the lifetime prolonging impact on the fuel cell stack. Simulation results derived from the proposed power management strategy are also used to evaluate the economic influence. As a result, the positive economic influence of the proposed PMP-based power management strategy is proved for both current and future FCHVs.

Pre-stack depth Migration imaging of the Hellenic Subduction Zone

NASA Astrophysics Data System (ADS)

Hussni, S. G.; Becel, A.; Schenini, L.; Laigle, M.; Dessa, J. X.; Galve, A.; Vitard, C.

2017-12-01

In 365 AD, a major M>8-tsunamignic earthquake occurred along the southwestern segment of the Hellenic subduction zone. Although this is the largest seismic event ever reported in Europe, some fundamental questions remain regarding the deep geometry of the interplate megathrust, as well as other faults within the overriding plate potentially connected to it. The main objective here is to image those deep structures, whose depths range between 15 and 45 km, using leading edge seismic reflection equipment. To this end, a 210-km-long multichannel seismic profile was acquired with the 8 km-long streamer and the 6600 cu.in source of R/V Marcus Langseth. This was realized at the end of 2015, during the SISMED cruise. This survey was made possible through a collective effort gathering labs (Géoazur, LDEO, ISTEP, ENS-Paris, EOST, LDO, Dpt. Geosciences of Pau Univ). A preliminary processing sequence has first been applied using Geovation software of CGG, which yielded a post-stack time migration of collected data, as well as pre-stack time migration obtained with a model derived from velocity analyses. Using Paradigm software, a pre-stack depth migration was subsequently carried out. This step required some tuning in the pre-processing sequence in order to improve multiple removal, noise suppression and to better reveal the true geometry of reflectors in depth. This iteration of pre-processing included, the use of parabolic Radon transform, FK filtering and time variant band pass filtering. An initial velocity model was built using depth-converted RMS velocities obtained from SISMED data for the sedimentary layer, complemented at depth with a smooth version of the tomographic velocities derived from coincident wide-angle data acquired during the 2012-ULYSSE survey. Then, we performed a Kirchhoff Pre-stack depth migration with traveltimes calculated using the Eikonal equation. Velocity model were then tuned through residual velocity analyses to flatten reflections in common reflection point gathers. These new results improve the imaging of deep reflectors and even reveal some new features. We will present this work, a comparison with our previously obtained post-stack time migration, as well as some insights into the new geological structures revealed by the depth imaging.

Context based computational analysis and characterization of ARS consensus sequences (ACS) of Saccharomyces cerevisiae genome.

PubMed

Singh, Vinod Kumar; Krishnamachari, Annangarachari

2016-09-01

Genome-wide experimental studies in Saccharomyces cerevisiae reveal that autonomous replicating sequence (ARS) requires an essential consensus sequence (ACS) for replication activity. Computational studies identified thousands of ACS like patterns in the genome. However, only a few hundreds of these sites act as replicating sites and the rest are considered as dormant or evolving sites. In a bid to understand the sequence makeup of replication sites, a content and context-based analysis was performed on a set of replicating ACS sequences that binds to origin-recognition complex (ORC) denoted as ORC-ACS and non-replicating ACS sequences (nrACS), that are not bound by ORC. In this study, DNA properties such as base composition, correlation, sequence dependent thermodynamic and DNA structural profiles, and their positions have been considered for characterizing ORC-ACS and nrACS. Analysis reveals that ORC-ACS depict marked differences in nucleotide composition and context features in its vicinity compared to nrACS. Interestingly, an A-rich motif was also discovered in ORC-ACS sequences within its nucleosome-free region. Profound changes in the conformational features, such as DNA helical twist, inclination angle and stacking energy between ORC-ACS and nrACS were observed. Distribution of ACS motifs in the non-coding segments points to the locations of ORC-ACS which are found far away from the adjacent gene start position compared to nrACS thereby enabling an accessible environment for ORC-proteins. Our attempt is novel in considering the contextual view of ACS and its flanking region along with nucleosome positioning in the S. cerevisiae genome and may be useful for any computational prediction scheme.

The influence of lay-up and thickness on composite impact damage and compression strength

NASA Technical Reports Server (NTRS)

Guynn, E. G.; Obrien, T. K.

1985-01-01

The effects of composite stacking sequence, thickness, and percentage of zero-degree plies on the size, shape, and distribution of delamination through the laminate thickness and on residual compression strength following impact were studied. Graphite/epoxy laminates were impacted with an 0.5 inch diameter aluminum sphere at a specific low or high velocity. Impact damage was measured nondestructively by ultrasonic C-scans and X-radiography and destructively by the deply technique, and compression strength tests were performed. It was found that differences in compression failure strain due to stacking sequence were small, while laminates with very low percentages of zero-degree plies had similar failure loads but higher failure strains than laminates with higher percentages of zero-degree plies. Failure strain did not correlate with planar impact damage area, and delaminations in impact regions were associated with matrix cracking.

Hybrid composite laminates reinforced with Kevlar/carbon/glass woven fabrics for ballistic impact testing.

PubMed

Randjbaran, Elias; Zahari, Rizal; Jalil, Nawal Aswan Abdul; Majid, Dayang Laila Abang Abdul

2014-01-01

Current study reported a facile method to investigate the effects of stacking sequence layers of hybrid composite materials on ballistic energy absorption by running the ballistic test at the high velocity ballistic impact conditions. The velocity and absorbed energy were accordingly calculated as well. The specimens were fabricated from Kevlar, carbon, and glass woven fabrics and resin and were experimentally investigated under impact conditions. All the specimens possessed equal mass, shape, and density; nevertheless, the layers were ordered in different stacking sequence. After running the ballistic test at the same conditions, the final velocities of the cylindrical AISI 4340 Steel pellet showed how much energy was absorbed by the samples. The energy absorption of each sample through the ballistic impact was calculated; accordingly, the proper ballistic impact resistance materials could be found by conducting the test. This paper can be further studied in order to characterise the material properties for the different layers.

Analysis of spring-in in U-shaped composite laminates: Numerical and experimental results

NASA Astrophysics Data System (ADS)

Bellini, Costanzo; Sorrentino, Luca; Polini, Wilma; Parodo, Gianluca

2018-05-01

The phenomena that happen during the cure process of a composite material laminate are responsible for the rise of residual stresses and, consequently, for the deformation at the end of the manufacturing process. The most analyzed deformation is the spring-in, that represent the flange-to-flange angle deviance from the theoretical value. In this work, the influence of some parameters, such as the laminate thickness, the stacking sequence and the mold radius, on the spring-in angle of a U-shaped laminate was studied exploring a full factorial plan through numerical simulations. First of all, a numerical model proper for cure simulation was introduced and its suitability to simulate the deformation behavior was demonstrated. As a result, only the stacking sequence influenced the spring-in value, while the effect of the tool radius and laminate thickness was minimal.

Investigating Delamination Migration in Composite Tape Laminates

NASA Technical Reports Server (NTRS)

Ratcliffe, James G.; DeCarvalho, Nelson V.

2014-01-01

A modification to a recently developed test specimen designed to investigate migration of a delamination between neighboring ply interfaces in tape laminates is presented. The specimen is a cross-ply laminated beam consisting of 40 plies with a polytetrafluoroethylene insert spanning part way along its length. The insert is located between a lower 0-degree ply (specimen length direction) and a stack of four 90-degree plies (specimen width direction). The modification involved a stacking sequence that promotes stable delamination growth prior to migration, and included a relocation of the insert from the specimen midplane to the interface between plies 14 and 15. Specimens were clamped at both ends onto a rigid baseplate and loaded on their upper surface via a piano hinge assembly, resulting in a predominantly flexural loading condition. Tests were conducted with the load-application point positioned at various locations along a specimen's span. This position affected the sequence of damage events during a test.

2-D to 3-D global/local finite element analysis of cross-ply composite laminates

NASA Technical Reports Server (NTRS)

Thompson, D. Muheim; Griffin, O. Hayden, Jr.

1990-01-01

An example of two-dimensional to three-dimensional global/local finite element analysis of a laminated composite plate with a hole is presented. The 'zoom' technique of global/local analysis is used, where displacements of the global/local interface from the two-dimensional global model are applied to the edges of the three-dimensional local model. Three different hole diameters, one, three, and six inches, are considered in order to compare the effect of hole size on the three-dimensional stress state around the hole. In addition, three different stacking sequences are analyzed for the six inch hole case in order to study the effect of stacking sequence. The existence of a 'critical' hole size, where the interlaminar stresses are maximum, is indicated. Dispersion of plies at the same angle, as opposed to clustering, is found to reduce the magnitude of some interlaminar stress components and increase others.

SANSparallel: interactive homology search against Uniprot.

PubMed

Somervuo, Panu; Holm, Liisa

2015-07-01

Proteins evolve by mutations and natural selection. The network of sequence similarities is a rich source for mining homologous relationships that inform on protein structure and function. There are many servers available to browse the network of homology relationships but one has to wait up to a minute for results. The SANSparallel webserver provides protein sequence database searches with immediate response and professional alignment visualization by third-party software. The output is a list, pairwise alignment or stacked alignment of sequence-similar proteins from Uniprot, UniRef90/50, Swissprot or Protein Data Bank. The stacked alignments are viewed in Jalview or as sequence logos. The database search uses the suffix array neighborhood search (SANS) method, which has been re-implemented as a client-server, improved and parallelized. The method is extremely fast and as sensitive as BLAST above 50% sequence identity. Benchmarks show that the method is highly competitive compared to previously published fast database search programs: UBLAST, DIAMOND, LAST, LAMBDA, RAPSEARCH2 and BLAT. The web server can be accessed interactively or programmatically at http://ekhidna2.biocenter.helsinki.fi/cgi-bin/sans/sans.cgi. It can be used to make protein functional annotation pipelines more efficient, and it is useful in interactive exploration of the detailed evidence supporting the annotation of particular proteins of interest. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

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

Wu, Qin

Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong π-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkablymore » stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.« less

Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

DOE PAGES

Wu, Qin

2015-01-30

Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong π-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkablymore » stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.« less

Stacking dependence of carrier transport properties in multilayered black phosphorous

NASA Astrophysics Data System (ADS)

Sengupta, A.; Audiffred, M.; Heine, T.; Niehaus, T. A.

2016-02-01

We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green’s function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.

π-π stacking tackled with density functional theory

PubMed Central

Swart, Marcel; van der Wijst, Tushar; Fonseca Guerra, Célia

2007-01-01

Through comparison with ab initio reference data, we have evaluated the performance of various density functionals for describing π-π interactions as a function of the geometry between two stacked benzenes or benzene analogs, between two stacked DNA bases, and between two stacked Watson–Crick pairs. Our main purpose is to find a robust and computationally efficient density functional to be used specifically and only for describing π-π stacking interactions in DNA and other biological molecules in the framework of our recently developed QM/QM approach "QUILD". In line with previous studies, most standard density functionals recover, at best, only part of the favorable stacking interactions. An exception is the new KT1 functional, which correctly yields bound π-stacked structures. Surprisingly, a similarly good performance is achieved with the computationally very robust and efficient local density approximation (LDA). Furthermore, we show that classical electrostatic interactions determine the shape and depth of the π-π stacking potential energy surface. Figure Additivity approximation for the π-π interaction between two stacked Watson–Crick base pairs in terms of pairwise interactions between individual bases Electronic supplementary material The online version of this article (doi:10.1007/s00894-007-0239-y) contains supplementary material, which is available to authorized users. PMID:17874150

Nondimensional Parameters and Equations for Nonlinear and Bifurcation Analyses of Thin Anisotropic Quasi-Shallow Shells

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.

2010-01-01

A comprehensive development of nondimensional parameters and equations for nonlinear and bifurcations analyses of quasi-shallow shells, based on the Donnell-Mushtari-Vlasov theory for thin anisotropic shells, is presented. A complete set of field equations for geometrically imperfect shells is presented in terms general of lines-of-curvature coordinates. A systematic nondimensionalization of these equations is developed, several new nondimensional parameters are defined, and a comprehensive stress-function formulation is presented that includes variational principles for equilibrium and compatibility. Bifurcation analysis is applied to the nondimensional nonlinear field equations and a comprehensive set of bifurcation equations are presented. An extensive collection of tables and figures are presented that show the effects of lamina material properties and stacking sequence on the nondimensional parameters.

Development and verification of global/local analysis techniques for laminated composites

NASA Technical Reports Server (NTRS)

Thompson, Danniella Muheim; Griffin, O. Hayden, Jr.

1991-01-01

A two-dimensional to three-dimensional global/local finite element approach was developed, verified, and applied to a laminated composite plate of finite width and length containing a central circular hole. The resulting stress fields for axial compression loads were examined for several symmetric stacking sequences and hole sizes. Verification was based on comparison of the displacements and the stress fields with those accepted trends from previous free edge investigations and a complete three-dimensional finite element solution of the plate. The laminates in the compression study included symmetric cross-ply, angle-ply and quasi-isotropic stacking sequences. The entire plate was selected as the global model and analyzed with two-dimensional finite elements. Displacements along a region identified as the global/local interface were applied in a kinematically consistent fashion to independent three-dimensional local models. Local areas of interest in the plate included a portion of the straight free edge near the hole, and the immediate area around the hole. Interlaminar stress results obtained from the global/local analyses compares well with previously reported trends, and some new conclusions about interlaminar stress fields in plates with different laminate orientations and hole sizes are presented for compressive loading. The effectiveness of the global/local procedure in reducing the computational effort required to solve these problems is clearly demonstrated through examination of the computer time required to formulate and solve the linear, static system of equations which result for the global and local analyses to those required for a complete three-dimensional formulation for a cross-ply laminate. Specific processors used during the analyses are described in general terms. The application of this global/local technique is not limited software system, and was developed and described in as general a manner as possible.

Exhaust-stack nozzle area and shape for individual cylinder exhaust-gas jet-propulsion system

NASA Technical Reports Server (NTRS)

Pinkel, Benjamin; Turner, Richard; Voss, Fred; Humble, Leroy V

1943-01-01

This report presents the results of an investigation conducted on the effect of exhaust-stack nozzle area, shape, and length on engine power, jet thrust, and gain in net thrust (engine propeller plus jet). Single-cylinder engine data were obtained using three straight stacks 25, 44, and 108 inches in length; an S-shaped stack, a 90 degree bend, a 180 degree bend, and a short straight stack having a closed branch faired into it. Each stack was fitted with nozzles varying in exit area from 0.91 square inch to the unrestricted area of the stack of 4.20 square inches. The engine was generally operated over a range of engine speeds from 1300 to 2100 r.p.m, inlet-manifold pressures from 22 to 30 inches of mercury absolute, and a fuel-air ratio of 0.08. The loss in engine power, the jet thrust, and the gain in net thrust are correlated in terms of several simple parameters. An example is given for determining the optimum nozzle area and the overall net thrust.

Stratal stacking patterns and tectono-sedimentary evolution of hyperextended magma-poor rifted margins

NASA Astrophysics Data System (ADS)

Ribes, C.; Gillard, M.; Epin, M. E.; Ghienne, J. F.; Manatschal, G.; Karner, G. D.; Johnson, C. A.

2016-12-01

Research on the formation and evolution of deep-water rifted margins has undergone a major paradigm shift in recent years. An increasing number of studies of present-day and fossil rifted margins allow us to identify and characterize the structural architecture of the most distal parts of rifted margins, the so-called hyperextended, magma-poor rifted margins. However, at present, little is known about the depositional environments, sedimentary facies, stacking patterns, subsidence and thermal history within these domains. In this context, characterizing the stratal stacking patterns and understanding their spatial and temporal evolution is a new challenge. The major difficulty comes from the fact that the observed stratigraphic geometries and facies relationships are a result of the complex interplay between sediment supply and available accommodation, which is controlled by not only the regional generation of accommodation, but also by local tectono-magmatic processes. These parameters are poorly constrained or even sufficiently known in these tectonic settings. Indeed, the complex structural evolution of hyperextended magma-poor rifted margins, including the development of poly-phase in-sequence and out of sequence extensional detachment faults and associated mantle exhumation and magmatic activity, can generate complex accommodation patterns over a highly structured top basement. The presentation summarizes early results concerning the controlling parameters on ultra-deep water stratigraphic stacking patterns and to provide a conceptual framework. This observation-driven approach combines fieldwork from fossil Alpine Tethys margins exposed in the Alps and the analysis of seismic reflection data from present-day deep water rifted margins such as the Australian-Antarctic, East India and Iberia-Newfoundland margins.

Structural disorder of natural BimSen superlattices grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Springholz, G.; Wimmer, S.; Groiss, H.; Albu, M.; Hofer, F.; Caha, O.; Kriegner, D.; Stangl, J.; Bauer, G.; Holý, V.

2018-05-01

The structure and morphology of BimSen epitaxial layers with compositions ranging from Bi2Se3 to the Bi1Se1 grown by molecular beam epitaxy with different flux compositions are investigated by transmission electron microscopy, high-resolution x-ray diffraction, and atomic force microscopy. It is shown that the lattice structure changes significantly as a function of the beam flux composition, i.e., Se/BiSe flux ratio that determines the stoichiometry of the layers. A perfect Bi2Se3 phase is formed only with a sufficiently high additional Se flux, whereas Bi1Se1 is obtained when only a BiSe compound source without additional Se is used. For intermediate values of the excess Se flux during growth, Bi2Se3 -δ layers are obtained with the Se deficit δ varying between 0 and 1. This Se deficit is accommodated by incorporation of additional Bi-Bi double layers into the Bi2Se3 structure that otherwise exclusively consists of Se-Bi-Se-Bi-Se quintuple layers. While a periodic insertion of such Bi double layers would result in the formation of natural BimSen superlattices, we find that this Bi double-layer insertion is rather stochastic with a high degree of disorder depending on the film composition. Therefore, the structure of such epilayers is better described by a one-dimensional paracrystal model, consisting of disordered sequences of quintuple and double layers rather than by strictly periodic natural superlattices. From detailed analysis of the x-ray diffraction data, we determine the dependence of the lattice parameters a and c and distances of the individual (0001) planes dj as a function of composition, evidencing that only the in-plane lattice parameter a shows a linear dependence on composition. The simulation of the diffraction curves with the random stacking paracrystal model yields an excellent agreement with the experimental data and it brings quantitative information on the randomness of the stacking sequence, which is compared to growth modeling using Monte Carlo simulations. The analysis of transmission electron microscopy data furthermore confirms that the Bi-Bi bilayers contain a large amount of vacancies of up to 25%. Conductivity and Hall data confirm that BimSen phases containing Bi-Bi double layers exhibit a rather semimetallic behavior.

Enhancement of thermal stability and water resistance in yttrium-doped GeO{sub 2}/Ge gate stack

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

Lu, Cimang, E-mail: cimang@adam.t.u-tokyo.ac.jp; Hyun Lee, Choong; Zhang, Wenfeng

2014-03-03

We have systematically investigated the material and electrical properties of yttrium-doped GeO{sub 2} (Y-GeO{sub 2}) on Germanium (Ge). A significant improvement of both thermal stability and water resistance were demonstrated by Y-GeO{sub 2}/Ge stack, compared to that of pure GeO{sub 2}/Ge stack. The excellent electrical properties of Y-GeO{sub 2}/Ge stacks with low D{sub it} were presented as well as enhancement of dielectric constant in Y-GeO{sub 2} layer, which is beneficial for further equivalent oxide thickness scaling of Ge gate stack. The improvement of thermal stability and water resistance are discussed both in terms of the Gibbs free energy lowering andmore » network modification of Y-GeO{sub 2}.« less

AlGaAs top solar cell for mechanical attachment in a multi-junction tandem concentrator solar cell stack

NASA Technical Reports Server (NTRS)

Dinetta, L. C.; Hannon, M. H.; Mcneely, J. B.; Barnett, A. M.

1991-01-01

The AstroPower self-supporting, transparent AlGaAs top solar cell can be stacked upon any well-developed bottom solar cell for improved system performance. This is an approach to improve the performance and scale of space photovoltaic power systems. Mechanically stacked tandem solar cell concentrator systems based on the AlGaAs top concentrator solar cell can provide near term efficiencies of 36 percent (AMO, 100x). Possible tandem stack efficiencies greater than 38 percent (100x, AMO) are feasible with a careful selection of materials. In a three solar cell stack, system efficiencies exceed 41 percent (100x, AMO). These device results demonstrate a practical solution for a state-of-the-art top solar cell for attachment to an existing, well-developed solar cell.

Is There Excitation Energy Transfer between Different Layers of Stacked Photosystem-II-Containing Thylakoid Membranes?

PubMed

Farooq, Shazia; Chmeliov, Jevgenij; Trinkunas, Gediminas; Valkunas, Leonas; van Amerongen, Herbert

2016-04-07

We have compared picosecond fluorescence decay kinetics for stacked and unstacked photosystem II membranes in order to evaluate the efficiency of excitation energy transfer between the neighboring layers. The measured kinetics were analyzed in terms of a recently developed fluctuating antenna model that provides information about the dimensionality of the studied system. Independently of the stacking state, all preparations exhibited virtually the same value of the apparent dimensionality, d = 1.6. Thus, we conclude that membrane stacking does not affect the efficiency of the delivery of excitation energy toward the reaction centers but ensures a more compact organization of the thylakoid membranes within the chloroplast and separation of photosystems I and II.

Morphological spot counting from stacked images for automated analysis of gene copy numbers by fluorescence in situ hybridization.

PubMed

Grigoryan, Artyom M; Dougherty, Edward R; Kononen, Juha; Bubendorf, Lukas; Hostetter, Galen; Kallioniemi, Olli

2002-01-01

Fluorescence in situ hybridization (FISH) is a molecular diagnostic technique in which a fluorescent labeled probe hybridizes to a target nucleotide sequence of deoxyribose nucleic acid. Upon excitation, each chromosome containing the target sequence produces a fluorescent signal (spot). Because fluorescent spot counting is tedious and often subjective, automated digital algorithms to count spots are desirable. New technology provides a stack of images on multiple focal planes throughout a tissue sample. Multiple-focal-plane imaging helps overcome the biases and imprecision inherent in single-focal-plane methods. This paper proposes an algorithm for global spot counting in stacked three-dimensional slice FISH images without the necessity of nuclei segmentation. It is designed to work in complex backgrounds, when there are agglomerated nuclei, and in the presence of illumination gradients. It is based on the morphological top-hat transform, which locates intensity spikes on irregular backgrounds. After finding signals in the slice images, the algorithm groups these together to form three-dimensional spots. Filters are employed to separate legitimate spots from fluorescent noise. The algorithm is set in a comprehensive toolbox that provides visualization and analytic facilities. It includes simulation software that allows examination of algorithm performance for various image and algorithm parameter settings, including signal size, signal density, and the number of slices.

The impact of base stacking on the conformations and electrostatics of single-stranded DNA.

PubMed

Plumridge, Alex; Meisburger, Steve P; Andresen, Kurt; Pollack, Lois

2017-04-20

Single-stranded DNA (ssDNA) is notable for its interactions with ssDNA binding proteins (SSBs) during fundamentally important biological processes including DNA repair and replication. Previous work has begun to characterize the conformational and electrostatic properties of ssDNA in association with SSBs. However, the conformational distributions of free ssDNA have been difficult to determine. To capture the vast array of ssDNA conformations in solution, we pair small angle X-ray scattering with novel ensemble fitting methods, obtaining key parameters such as the size, shape and stacking character of strands with different sequences. Complementary ion counting measurements using inductively coupled plasma atomic emission spectroscopy are employed to determine the composition of the ion atmosphere at physiological ionic strength. Applying this combined approach to poly dA and poly dT, we find that the global properties of these sequences are very similar, despite having vastly different propensities for single-stranded helical stacking. These results suggest that a relatively simple mechanism for the binding of ssDNA to non-specific SSBs may be at play, which explains the disparity in binding affinities observed for these systems. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Partition/Ion-Exclusion Chromatographic Ion Stacking for the Analysis of Trace Anions in Water and Salt Samples by Ion Chromatography.

PubMed

Akter, Fouzia; Saito, Shingo; Tasaki-Handa, Yuiko; Shibukawa, Masami

2018-01-01

A new analytical methodology for a simple and efficient on-line preconcentration of trace inorganic anions in water and salt samples prior to ion chromatographic determination is proposed. The preconcentration method is based on partition/ion-exclusion chromatographic ion stacking (PIEC ion stacking) with a hydrophilic polymer gel column containing a small amount of fixed anionic charges. The developed on-line PIEC ion stacking-ion chromatography method was validated by recovery experiments for the determination of nitrate in tap water in terms of both accuracy and precision, and the results showed the reliability of the method. The method proposed was also successfully applied to the determination of trace impurity nitrite and nitrate in reagent-grade salts of sodium sulfate. A low background level can be achieved since pure water is used as the eluant for the PIEC ion stacking. It is possible to reach sensitive detection at sub-μg L -1 levels by on-line PIEC ion stacking-ion chromatography.

Devil's staircase and the absence of chaos in the dc- and ac-driven overdamped Frenkel-Kontorova model

NASA Astrophysics Data System (ADS)

Sokolović, I.; Mali, P.; Odavić, J.; Radošević, S.; Medvedeva, S. Yu.; Botha, A. E.; Shukrinov, Yu. M.; Tekić, J.

2017-08-01

The devil's staircase structure arising from the complete mode locking of an entirely nonchaotic system, the overdamped dc+ac driven Frenkel-Kontorova model with deformable substrate potential, was observed. Even though no chaos was found, a hierarchical ordering of the Shapiro steps was made possible through the use of a previously introduced continued fraction formula. The absence of chaos, deduced here from Lyapunov exponent analyses, can be attributed to the overdamped character and the Middleton no-passing rule. A comparative analysis of a one-dimensional stack of Josephson junctions confirmed the disappearance of chaos with increasing dissipation. Other common dynamic features were also identified through this comparison. A detailed analysis of the amplitude dependence of the Shapiro steps revealed that only for the case of a purely sinusoidal substrate potential did the relative sizes of the steps follow a Farey sequence. For nonsinusoidal (deformed) potentials, the symmetry of the Stern-Brocot tree, depicting all members of particular Farey sequence, was seen to be increasingly broken, with certain steps being more prominent and their relative sizes not following the Farey rule.

GRIM-Filter: Fast seed location filtering in DNA read mapping using processing-in-memory technologies.

PubMed

Kim, Jeremie S; Senol Cali, Damla; Xin, Hongyi; Lee, Donghyuk; Ghose, Saugata; Alser, Mohammed; Hassan, Hasan; Ergin, Oguz; Alkan, Can; Mutlu, Onur

2018-05-09

Seed location filtering is critical in DNA read mapping, a process where billions of DNA fragments (reads) sampled from a donor are mapped onto a reference genome to identify genomic variants of the donor. State-of-the-art read mappers 1) quickly generate possible mapping locations for seeds (i.e., smaller segments) within each read, 2) extract reference sequences at each of the mapping locations, and 3) check similarity between each read and its associated reference sequences with a computationally-expensive algorithm (i.e., sequence alignment) to determine the origin of the read. A seed location filter comes into play before alignment, discarding seed locations that alignment would deem a poor match. The ideal seed location filter would discard all poor match locations prior to alignment such that there is no wasted computation on unnecessary alignments. We propose a novel seed location filtering algorithm, GRIM-Filter, optimized to exploit 3D-stacked memory systems that integrate computation within a logic layer stacked under memory layers, to perform processing-in-memory (PIM). GRIM-Filter quickly filters seed locations by 1) introducing a new representation of coarse-grained segments of the reference genome, and 2) using massively-parallel in-memory operations to identify read presence within each coarse-grained segment. Our evaluations show that for a sequence alignment error tolerance of 0.05, GRIM-Filter 1) reduces the false negative rate of filtering by 5.59x-6.41x, and 2) provides an end-to-end read mapper speedup of 1.81x-3.65x, compared to a state-of-the-art read mapper employing the best previous seed location filtering algorithm. GRIM-Filter exploits 3D-stacked memory, which enables the efficient use of processing-in-memory, to overcome the memory bandwidth bottleneck in seed location filtering. We show that GRIM-Filter significantly improves the performance of a state-of-the-art read mapper. GRIM-Filter is a universal seed location filter that can be applied to any read mapper. We hope that our results provide inspiration for new works to design other bioinformatics algorithms that take advantage of emerging technologies and new processing paradigms, such as processing-in-memory using 3D-stacked memory devices.

Language extraction from zinc sulfide

NASA Astrophysics Data System (ADS)

Varn, Dowman Parks

2001-09-01

Recent advances in the analysis of one-dimensional temporal and spacial series allow for detailed characterization of disorder and computation in physical systems. One such system that has defied theoretical understanding since its discovery in 1912 is polytypism. Polytypes are layered compounds, exhibiting crystallinity in two dimensions, yet having complicated stacking sequences in the third direction. They can show both ordered and disordered sequences, sometimes each in the same specimen. We demonstrate a method for extracting two-layer correlation information from ZnS diffraction patterns and employ a novel technique for epsilon-machine reconstruction. We solve a long-standing problem---that of determining structural information for disordered materials from their diffraction patterns---for this special class of disorder. Our solution offers the most complete possible statistical description of the disorder. Furthermore, from our reconstructed epsilon-machines we find the effective range of the interlayer interaction in these materials, as well as the configurational energy of both ordered and disordered specimens. Finally, we can determine the 'language' (in terms of the Chomsky Hierarchy) these small rocks speak, and we find that regular languages are sufficient to describe them.

Develop and test fuel cell powered on-site integrated total energy systems. Phase 3: Full-scale power plant development

NASA Technical Reports Server (NTRS)

Kaufman, A.; Olson, B.; Pudick, S.; Wang, C. L.; Werth, J.; Whelan, J. A.

1986-01-01

The testing of two 25-cell stacks of the 13 inch x 23 inch cell size (about 4kW) was carried out for 7000 and 8400 hours, respectively. A 25kW stack containing 175 cells of the same size and based on the same technology was constructed and is on test. A third 4kW stack, which will contain 24 cells, will comprise several new technology features; these will be assesed for performance and durability in long-term testing.

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

Shoup, R.W.; Long, F.; Martin, T.H.

Sandia is developing PBFA-Z, a 20-MA driver for z-pinch experiments by replacing the water lines, insulator stack, and MITLs on PBFA II with new hardware. The design of the vacuum insulator stack was dictated by the drive voltage, the electric field stress and grading requirements, the water line and MITL interface requirements, and the machine operations and maintenance requirements. The insulator stack will consist of four separate modules, each of a different design because of different voltage drive and hardware interface requirements. The shape of the components in each module, i.e., grading rings, insulator rings, flux excluders, anode and cathodemore » conductors, and the design of the water line and MITL interfaces, were optimized by using the electrostatic analysis codes, ELECTRO and JASON. The time dependent performance of the insulator stack was evaluated using IVORY, a 2-D PIC code. This paper will describe the insulator stack design and present the results of the ELECTRO and IVORY analyses.« less

Dependences of contraction/expansion of stacking faults on temperature and current density in 4H-SiC p–i–n diodes

NASA Astrophysics Data System (ADS)

Okada, Aoi; Nishio, Johji; Iijima, Ryosuke; Ota, Chiharu; Goryu, Akihiro; Miyazato, Masaki; Ryo, Mina; Shinohe, Takashi; Miyajima, Masaaki; Kato, Tomohisa; Yonezawa, Yoshiyuki; Okumura, Hajime

2018-06-01

To investigate the mechanism of contraction/expansion behavior of Shockley stacking faults (SSFs) in 4H-SiC p–i–n diodes, the dependences of the SSF behavior on temperature and injection current density were investigated by electroluminescence image observation. We investigated the dependences of both triangle- and bar-shaped SSFs on the injection current density at four temperature levels. All SSFs in this study show similar temperature and injection current density dependences. We found that the expansion of SSFs at a high current density was converted to contraction at a certain value as the current decreased and that the value is temperature-dependent. It has been confirmed that SSF behavior, which was considered complex or peculiar, might be explained mainly by the energy change caused by SSFs.

Implications of a 20-Hz Booster cycle-rate for Slip-stacking

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

Eldred, Jeffrey; Zwaska, Robert

2014-06-10

We examine the potential impacts to slip-stacking from a change of the Booster cycle-rate from 15- to 20-Hz. We find that changing the Booster cycle-rate to 20-Hz would greatly increase the slip-stacking bucket area, while potentially requiring greater usage of the Recycler momentum aperture and additional power dissipation in the RF cavities. In particular, the losses from RF interference can be reduced by a factor of 4-10 (depending on Booster beam longitudinal parameters). We discuss the aspect ratio and beam emittance requirements for efficient slip-stacking in both cycle-rate cases. Using a different injection scheme can eliminate the need for greatermore » momentum aperture in the Recycler.« less

Hydrogen storage and integrated fuel cell assembly

DOEpatents

Gross, Karl J.

2010-08-24

Hydrogen is stored in materials that absorb and desorb hydrogen with temperature dependent rates. A housing is provided that allows for the storage of one or more types of hydrogen-storage materials in close thermal proximity to a fuel cell stack. This arrangement, which includes alternating fuel cell stack and hydrogen-storage units, allows for close thermal matching of the hydrogen storage material and the fuel cell stack. Also, the present invention allows for tailoring of the hydrogen delivery by mixing different materials in one unit. Thermal insulation alternatively allows for a highly efficient unit. Individual power modules including one fuel cell stack surrounded by a pair of hydrogen-storage units allows for distribution of power throughout a vehicle or other electric power consuming devices.

Electron transport in graphene/graphene side-contact junction by plane-wave multiple-scattering method

DOE PAGES

Li, Xiang-Guo; Chu, Iek-Heng; Zhang, X. -G.; ...

2015-05-28

Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a “side-contact” geometry which causes the current to flow perpendicular to the sheets within the device. Such geometry presents a challenge to first-principles transport methods. We solve this problem by implementing a plane-wave-based multiple-scattering theory for electron transport. In this study, this implementation improves the computational efficiency over the existing plane-wave transport code, scales better for parallelization over large number of nodes, and does not require the current direction to be along a lattice axis. As a first application, wemore » calculate the tunneling current through a side-contact graphene junction formed by two separate graphene sheets with the edges overlapping each other. We find that transport properties of this junction depend strongly on the AA or AB stacking within the overlapping region as well as the vacuum gap between two graphene sheets. Finally, such transport behaviors are explained in terms of carbon orbital orientation, hybridization, and delocalization as the geometry is varied.« less

Passive and active pulse stacking scheme for pulse shaping

DOEpatents

Harney, Robert C.; Schipper, John F.

1977-01-01

Apparatus and method for producing a sequence of radiation pulses with a pulse envelope of time variation which is controllable by an external electromagnetic signal applied to an active medium or by a sectored reflector, through which the radiation passes.

Chemical and structural arrangement of the trigonal phase in GeSbTe thin films.

PubMed

Mio, Antonio M; Privitera, Stefania M S; Bragaglia, Valeria; Arciprete, Fabrizio; Bongiorno, Corrado; Calarco, Raffaella; Rimini, Emanuele

2017-02-10

The thermal and electrical properties of phase change materials, mainly GeSbTe alloys, in the crystalline state strongly depend on their phase and on the associated degree of order. The switching of Ge atoms in superlattice structures with trigonal phase has been recently proposed to develop memories with reduced switching energy, in which two differently ordered crystalline phases are the logic states. A detailed knowledge of the stacking plane sequence, of the local composition and of the vacancy distribution is therefore crucial in order to understand the underlying mechanism of phase transformations in the crystalline state and to evaluate the retention properties. This information is provided, as reported in this paper, by scanning transmission electron microscopy analysis of polycrystalline and epitaxial Ge 2 Sb 2 Te 5 thin samples, using the Z-contrast high-angle annular dark field method. Electron diffraction clearly confirms the presence of compositional mixing with stacking blocks of 11, 9 or 7 planes corresponding to Ge 3 Sb 2 Te 6 , Ge 2 Sb 2 Te 5 , and GeSb 2 Te 4 , alloys respectively in the same trigonal phase. By increasing the degree of order (according to the annealing temperature, the growth condition, etc) the spread in the statistical distribution of the blocks reduces and the distribution of the atoms in the cation planes also changes from a homogenous Ge/Sb mixing towards a Sb-enrichment in the planes closest to the van der Waals gaps. Therefore we show that the trigonal phase of Ge 2 Sb 2 Te 5 , the most studied chalcogenide for phase-change memories, is actually obtained in different configurations depending on the distribution of the stacking blocks (7-9-11 planes) and on the atomic occupation (Ge/Sb) at the cation planes. These results give an insight in the factors determining the stability of the trigonal phase and suggest a dynamic path evolution that could have a key role in the switching mechanism of interfacial phase change memories and in their data retention.

A Nonparametric Approach For Representing Interannual Dependence In Monthly Streamflow Sequences

NASA Astrophysics Data System (ADS)

Sharma, A.; Oneill, R.

The estimation of risks associated with water management plans requires generation of synthetic streamflow sequences. The mathematical algorithms used to generate these sequences at monthly time scales are found lacking in two main respects: inability in preserving dependence attributes particularly at large (seasonal to interannual) time lags; and, a poor representation of observed distributional characteristics, in partic- ular, representation of strong assymetry or multimodality in the probability density function. Proposed here is an alternative that naturally incorporates both observed de- pendence and distributional attributes in the generated sequences. Use of a nonpara- metric framework provides an effective means for representing the observed proba- bility distribution, while the use of a Svariable kernelT ensures accurate modeling of & cedil;streamflow data sets that contain a substantial number of zero flow values. A careful selection of prior flows imparts the appropriate short-term memory, while use of an SaggregateT flow variable allows representation of interannual dependence. The non- & cedil;parametric simulation model is applied to monthly flows from the Beaver River near Beaver, Utah, USA, and the Burrendong dam inflows, New South Wales, Australia. Results indicate that while the use of traditional simulation approaches leads to an inaccurate representation of dependence at long (annual and interannual) time scales, the proposed model can simulate both short and long-term dependence. As a result, the proposed model ensures a significantly improved representation of reservoir storage statistics, particularly for systems influenced by long droughts. It is important to note that the proposed method offers a simpler and better alternative to conventional dis- aggregation models as: (a) a separate annual flow series is not required, (b) stringent assumptions relating annual and monthly flows are not needed, and (c) the method does not require the specification of a "water year", instead ensuring that the sum of any sequence of flows lasting twelve months will result in the type of dependence that is observed in the historical annual flow series.

FocusStack and StimServer: a new open source MATLAB toolchain for visual stimulation and analysis of two-photon calcium neuronal imaging data.

PubMed

Muir, Dylan R; Kampa, Björn M

2014-01-01

Two-photon calcium imaging of neuronal responses is an increasingly accessible technology for probing population responses in cortex at single cell resolution, and with reasonable and improving temporal resolution. However, analysis of two-photon data is usually performed using ad-hoc solutions. To date, no publicly available software exists for straightforward analysis of stimulus-triggered two-photon imaging experiments. In addition, the increasing data rates of two-photon acquisition systems imply increasing cost of computing hardware required for in-memory analysis. Here we present a Matlab toolbox, FocusStack, for simple and efficient analysis of two-photon calcium imaging stacks on consumer-level hardware, with minimal memory footprint. We also present a Matlab toolbox, StimServer, for generation and sequencing of visual stimuli, designed to be triggered over a network link from a two-photon acquisition system. FocusStack is compatible out of the box with several existing two-photon acquisition systems, and is simple to adapt to arbitrary binary file formats. Analysis tools such as stack alignment for movement correction, automated cell detection and peri-stimulus time histograms are already provided, and further tools can be easily incorporated. Both packages are available as publicly-accessible source-code repositories.

FocusStack and StimServer: a new open source MATLAB toolchain for visual stimulation and analysis of two-photon calcium neuronal imaging data

PubMed Central

Muir, Dylan R.; Kampa, Björn M.

2015-01-01

Two-photon calcium imaging of neuronal responses is an increasingly accessible technology for probing population responses in cortex at single cell resolution, and with reasonable and improving temporal resolution. However, analysis of two-photon data is usually performed using ad-hoc solutions. To date, no publicly available software exists for straightforward analysis of stimulus-triggered two-photon imaging experiments. In addition, the increasing data rates of two-photon acquisition systems imply increasing cost of computing hardware required for in-memory analysis. Here we present a Matlab toolbox, FocusStack, for simple and efficient analysis of two-photon calcium imaging stacks on consumer-level hardware, with minimal memory footprint. We also present a Matlab toolbox, StimServer, for generation and sequencing of visual stimuli, designed to be triggered over a network link from a two-photon acquisition system. FocusStack is compatible out of the box with several existing two-photon acquisition systems, and is simple to adapt to arbitrary binary file formats. Analysis tools such as stack alignment for movement correction, automated cell detection and peri-stimulus time histograms are already provided, and further tools can be easily incorporated. Both packages are available as publicly-accessible source-code repositories1. PMID:25653614

Study on component interface evolution of a solid oxide fuel cell stack after long term operation

NASA Astrophysics Data System (ADS)

Yang, Jiajun; Huang, Wei; Wang, Xiaochun; Li, Jun; Yan, Dong; Pu, Jian; Chi, Bo; Li, Jian

2018-05-01

A 5-cell solid oxide fuel cell (SOFC) stack with external manifold structure is assembled and underwent a durability test with an output of 250 W for nearly 4400 h when current density and operating temperature are 355 mA/cm2 and 750 °C. Cells used in the stack are anode-supported cells (ASC) with yttria-stabilized zirconia (YSZ) electrolytes, Ni/YSZ hydrogen electrodes, and YSZ based composite cathode. The dimension of the cell is 150 × 150 mm (active area: 130 × 130 mm). Ceramic-glass sealant is used in the stack to keep the gas tightness between cells, interconnects and manifolds. Pure hydrogen and dry air are used as fuel and oxidant respectively. The stack has a maximum output of 340 W at 562 mA/cm2 current density at 750 °C. The stack shows a degradation of 1.5% per 1000 h during the test with 2 thermal cycles to room temperature. After the test, the stack was dissembled and examined. The relationship between microstructure changes of interfaces and degradation in the stack are discussed. The microstructure evolution of interfaces between electrode, contact material and current collector are unveiled and their relationship with the degradation is discussed.

Evaluation of a 2.5 kWel automotive low temperature PEM fuel cell stack with extended operating temperature range up to 120 °C

NASA Astrophysics Data System (ADS)

Ruiu, Tiziana; Dreizler, Andreas M.; Mitzel, Jens; Gülzow, Erich

2016-01-01

Nowadays, the operating temperature of polymer electrolyte membrane fuel cell stacks is typically limited to 80 °C due to water management issues of membrane materials. In the present work, short-term operation at elevated temperatures up to 120 °C and long-term steady-state operation under automotive relevant conditions at 80 °C are examined using a 30-cell stack developed at DLR. The high temperature behavior is investigated by using temperature cycles between 90 and 120 °C without adjustment of the gases dew points, to simulate a short-period temperature increase, possibly caused by an extended power demand and/or limited heat removal. This galvanostatic test demonstrates a fully reversible performance decrease of 21 ± 1% during each thermal cycle. The irreversible degradation rate is about a factor of 6 higher compared to the one determined by the long-term test. The 1200-h test at 80 °C demonstrates linear stack voltage decay with acceptable degradation rate, apart from a malfunction of the air compressor, which results in increased catalyst degradation effects on individual cells. This interpretation is based on an end-of-life characterization, aimed to investigate catalyst, electrode and membrane degradation, by determining hydrogen crossover rates, high frequency resistances, electrochemically active surface areas and catalyst particle sizes.

Real-time monitoring of steady-state pulsed chemical beam epitaxy by p-polarized reflectance

NASA Astrophysics Data System (ADS)

Bachmann, K. J.; Sukidi, N.; Höpfner, C.; Harris, C.; Dietz, N.; Tran, H. T.; Beeler, S.; Ito, K.; Banks, H. T.

1998-01-01

The structure in the p-polarized reflectance (PR) intensity Rp4( t) - observed under conditions of pulsed chemical beam epitaxy (PCBE) - is modeled on the basis of the four-layer stack: ambient/surface reaction layer (SRL)/epilayer/substrate. Linearization of the PR intensity with regard to the phase factor associated with the SRL results in a good approximation that can be expressed as Rp4 = Rp3 + ΔRp. Rp3 is the reflectivity of the three-layer stack ambient-epilayer-substrate. ΔRp describes the properties of the SRL. An explicit relation is derived between ΔRp( t) and the time-dependent surface concentrations ch( t) ( h = 1, 2, …, N) of the constituents of the SRL, which holds for conditions of submonolayer coverage of the surface by source vapor molecules. Under conditions of low temperature PCBE at high flux, the SRL is expected to exhibit nonideal behavior, mandating replacement of the surface concentrations by activities. Also, in this case, the thickness of the SRL must be represented in terms of partial molar volumina Vh. Since the relation between ΔRp( t) and the activities of reactants, intermediates and products of the chemical reactions driving heteroepitaxial growth is non-linear, the extraction of kinetic parameters from the measured time dependence of the PR signal generally requires numerical modeling.

Exact wave packet dynamics of singlet fission in unsubstituted and substituted polyene chains within long-range interacting models

NASA Astrophysics Data System (ADS)

Prodhan, Suryoday; Ramasesha, S.

2017-08-01

Singlet fission (SF) is a potential pathway for significant enhancement of efficiency in organic solar cells (OSC). In this paper, we study singlet fission in a pair of polyene molecules in two different stacking arrangements employing exact many-body wave packet dynamics. In the noninteracting model, the SF yield is absent. The individual molecules are treated within Hubbard and Pariser-Parr-Pople (PPP) models and the interaction between them involves transfer terms, intersite electron repulsions, and site-charge-bond-charge repulsion terms. Initial wave packet is constructed from excited singlet state of one molecule and ground state of the other. Time development of this wave packet under the influence of intermolecular interactions is followed within the Schrödinger picture by an efficient predictor-corrector scheme. In unsubstituted Hubbard and PPP chains, 2 1A excited singlet state leads to significant SF yield while the 1 1B state gives negligible fission yield. On substitution by donor-acceptor groups of moderate strength, the lowest excited state will have sufficient 2 1A character and hence results in significant SF yield. Because of rapid internal conversion, the nature of the lowest excited singlet will determine the SF contribution to OSC efficiency. Furthermore, we find the fission yield depends considerably on the stacking arrangement of the polyene molecules.

Sequence stratigraphy of the siliciclastic East Puolanka Group, the Palaeoproterozoic Kainuu Belt, Finland

NASA Astrophysics Data System (ADS)

Strand, Kari

2005-04-01

The 2300-2600 m thick Palaeoproterozoic East Puolanka Group within the central Fennoscandian Shield records four major transgressions on the cratonic margin within the approximate time period 2.25-2.10 Ga. Stacking of siliciclastic facies in parasequences and parasequence sets provides data to evaluate oscillation of relative sea-level and subsidence on different temporal scales. The lowermost part of the passive margin prism is characterized by alluvial plain to shallow marine sediments deposited in incised valleys. The succeeding highstand period is recorded by ca. 250 m of progradational parasequence sets of predominantly rippled and horizontally laminated sandstones, representing stacked wave-dominated shoreline units in sequence 1, capped by a hiatus or, in some places, by a subaerial lava. As relative sea-level rose again, sand-rich barrier-beach complexes developed with microtidal lagoons and inlets, corresponding to a retrogradational parasequence set. This was followed by a highstand period, with aggradation and progradation of alluvial plain and coastal sediments grading up into wave-tide influenced shoreline deposits in sequence 2. In sequence 3, the succeeding mudstones represent tidal flat deposits in a back-barrier region. With continued transgression, the parasequences stacked retrogradationally, each flooding episode being recorded by increasingly deeper water deposits above low-angle cross-bedded sandstones of the swash zones. The succeeding highstand progradation is represented by alluvial plain deposits. The next transgressive systems tract, overlying an inferred erosional ravinement surface, is recorded by a retrogradational parasequence set dominated by low-angle cross-stratified swash zone deposits in sequence 4. The large-scale trough cross-bed sets in these parasequences represent sand shoals and sheets of the inner shelf system. The overall major transgression recorded in the lowermost part of the Palaeoproterozoic cratonic margin succession was related to first- to second-order sea-level changes, probably due to increasing regional thermal subsidence of the lithosphere following partial continental breakup. The stratigraphic evolution can be related to changes of relative sea-level with a frequency of ca. 25 million years, probably propagated by episodic thermal subsidence. The parasequences identified here are related to high-frequency cycles of relative sea-level change due to low-magnitude eustatic oscillations.

Neogene sequence stratigraphy, Nam Con Son Basin, offshore Vietnam

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

McMillen, K.J.; Do Van Luu; Lee, E.K.

1996-12-31

An integrated well log, biostratigraphic, and seismic stratigraphic study of Miocene to Recent deltaic sediments deposited in the Nam Con Son Basin offshore from southern Vietnam shows the influence of eustacy and tectonics on sequence development. Sediments consist of Oligocene non-marine rift-basin fill (Cau Formation), early to middle Miocene tide-dominated delta plain to delta front sediments (TB 1.5 to TB 2.5, Due and Thong Formations), and late Miocene to Recent marine shelf sediments (TB. 2.6 to TB 3.1 0, Mang Cau, Nam Con Son, and Bien Dong Formations). Eustacy controlled the timing of key surfaces and sand distribution in themore » tectonically-quiet early Miocene. Tectonic effects on middle to late Miocene sequence development consist of thick transgressive systems tracts due to basin-wide subsidence and transgression, sand distribution in the basin center, and carbonate sedimentation on isolated fault blocks within the basin. Third-order sequence boundaries (SB) are identified by spore peaks, sand stacking patterns, and channel incision. In the basin center, widespread shale beds with coal occur above sequence boundaries followed by transgressive sandstone units. These TST sandstones merge toward the basin margin where they lie on older HST sandstones. Maximum flooding surfaces (MFS) have abundant marine microfossils and mangrove pollen, a change in sand stacking pattern, and often a strong seismic reflection with downlap. Fourth-order genetic-type sequences are also interpreted. The MFS is the easiest marker to identify and correlate on well logs. Fourth-order SB occur within these genetic units but are harder to identify and correlate.« less

Neogene sequence stratigraphy, Nam Con Son Basin, offshore Vietnam

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

McMillen, K.J.; Do Van Luu; Lee, E.K.

1996-01-01

An integrated well log, biostratigraphic, and seismic stratigraphic study of Miocene to Recent deltaic sediments deposited in the Nam Con Son Basin offshore from southern Vietnam shows the influence of eustacy and tectonics on sequence development. Sediments consist of Oligocene non-marine rift-basin fill (Cau Formation), early to middle Miocene tide-dominated delta plain to delta front sediments (TB 1.5 to TB 2.5, Due and Thong Formations), and late Miocene to Recent marine shelf sediments (TB. 2.6 to TB 3.1 0, Mang Cau, Nam Con Son, and Bien Dong Formations). Eustacy controlled the timing of key surfaces and sand distribution in themore » tectonically-quiet early Miocene. Tectonic effects on middle to late Miocene sequence development consist of thick transgressive systems tracts due to basin-wide subsidence and transgression, sand distribution in the basin center, and carbonate sedimentation on isolated fault blocks within the basin. Third-order sequence boundaries (SB) are identified by spore peaks, sand stacking patterns, and channel incision. In the basin center, widespread shale beds with coal occur above sequence boundaries followed by transgressive sandstone units. These TST sandstones merge toward the basin margin where they lie on older HST sandstones. Maximum flooding surfaces (MFS) have abundant marine microfossils and mangrove pollen, a change in sand stacking pattern, and often a strong seismic reflection with downlap. Fourth-order genetic-type sequences are also interpreted. The MFS is the easiest marker to identify and correlate on well logs. Fourth-order SB occur within these genetic units but are harder to identify and correlate.« less

Lower Cretaceous paleo-Vertisols and sedimentary interrelationships in stacked alluvial sequences, Utah, USA

NASA Astrophysics Data System (ADS)

Joeckel, R. M.; Ludvigson, G. A.; Kirkland, J. I.

2017-11-01

The Yellow Cat Member of the Cedar Mountain Formation in Poison Strip, Utah, USA, consists of stacked, erosionally bounded alluvial sequences dominated by massive mudstones (lithofacies Fm) with paleo-Vertisols. Sediment bodies within these sequences grade vertically and laterally into each other at pedogenic boundaries, across which color, texture, and structures (sedimentary vs. pedogenic) change. Slickensides, unfilled (sealed) cracks, carbonate-filled cracks, and deeper cracks filled with sandstone; the latter features suggest thorough desiccation during aridification. Thin sandstones (Sms) in some sequences, typically as well as laminated to massive mudstones (Flm) with which they are interbedded in some cases, are interpreted as avulsion deposits. The termini of many beds of these lithofacies curve upward, parallel to nearby pedogenic slickensides, as the features we call ;turnups.; Turnups are overlain or surrounded by paleosols, but strata sheltered underneath beds with turnups retain primary sedimentary fabrics. Turnups were produced by movement along slickensides during pedogenesis, by differential compaction alongside pre-existing gilgai microhighs, or by a combination of both. Palustrine carbonates (lithofacies C) appear only in the highest or next-highest alluvial sequences, along with a deep paleo-Vertisol that exhibits partially preserved microrelief at the base of the overlying Poison Strip Member. The attributes of the Yellow Cat Member suggest comparatively low accommodation, slow accumulation, long hiatuses in clastic sedimentation, and substantial time intervals of subaerial exposure and pedogenesis; it appears to be distinct among the members of the Cedar Mountain Formation in these respects.

Wavefront attributes in anisotropic media

NASA Astrophysics Data System (ADS)

Vanelle, C.; Abakumov, I.; Gajewski, D.

2018-07-01

Surface-measured wavefront attributes are the key ingredient to multiparameter methods, which are nowadays standard tools in seismic data processing. However, most operators are restricted to application to isotropic media. Whereas application of an isotropic operator will still lead to satisfactory stack results, further processing steps that interpret isotropic stacking parameters in terms of wavefront attributes will lead to erroneous results if anisotropy is present but not accounted for. In this paper, we derive relationships between the stacking parameters and anisotropic wavefront attributes that allow us to apply the common reflection surface type operator to 3-D media with arbitrary anisotropy for the zero-offset and finite-offset configurations including converted waves. The operator itself is expressed in terms of wavefront attributes that are measured in the acquisition surface, that is, no model assumptions are made. Numerical results confirm that the accuracy of the new anisotropic operator is of the same magnitude as that of its isotropic counterpart.

Compiling with Types

DTIC Science & Technology

1995-12-01

ogy and Theoretical Computer Science 1993, Bombay, New York, 1993. Springer-Verlag. Extended abstract. [17] E. Biagioni . Sequence types for functional...FOX-95-06. [18] E. Biagioni , R. Harper, P. Lee, and B. Milnes. Signatures for a network protocol stack: A systems application of Standard ML. In ACM

Bending and stretching finite element analysis of anisotropic viscoelastic composite plates

NASA Technical Reports Server (NTRS)

Hilton, Harry H.; Yi, Sung

1990-01-01

Finite element algorithms have been developed to analyze linear anisotropic viscoelastic plates, with or without holes, subjected to mechanical (bending, tension), temperature, and hygrothermal loadings. The analysis is based on Laplace transforms rather than direct time integrations in order to improve the accuracy of the results and save on extensive computational time and storage. The time dependent displacement fields in the transverse direction for the cross ply and angle ply laminates are calculated and the stacking sequence effects of the laminates are discussed in detail. Creep responses for the plates with or without a circular hole are also studied. The numerical results compare favorably with analytical solutions, i.e. within 1.8 percent for bending and 10(exp -3) 3 percent for tension. The tension results of the present method are compared with those using the direct time integration scheme.

Competition of Dzyaloshinskii-Moriya and Higher-Order Exchange Interactions in Rh /Fe Atomic Bilayers on Ir(111)

NASA Astrophysics Data System (ADS)

Romming, Niklas; Pralow, Henning; Kubetzka, André; Hoffmann, Markus; von Malottki, Stephan; Meyer, Sebastian; Dupé, Bertrand; Wiesendanger, Roland; von Bergmann, Kirsten; Heinze, Stefan

2018-05-01

Using spin-polarized scanning tunneling microscopy and density functional theory we demonstrate the occurrence of a novel type of noncollinear spin structure in Rh /Fe atomic bilayers on Ir(111). We find that higher-order exchange interactions depend sensitively on the stacking sequence. For fcc-Rh /Fe /Ir (111 ) , frustrated exchange interactions are dominant and lead to the formation of a spin spiral ground state with a period of about 1.5 nm. For hcp-Rh /Fe /Ir (111 ) , higher-order exchange interactions favor an up-up-down-down (↑↑↓↓) state. However, the Dzyaloshinskii-Moriya interaction at the Fe /Ir interface leads to a small angle of about 4° between adjacent magnetic moments resulting in a canted ↑↑↓↓ ground state.

Observation of the initiation and progression of damage in compressively loaded composite plates containing a cutout

NASA Technical Reports Server (NTRS)

Waas, A.; Babcock, C., Jr.

1986-01-01

A series of experiments was carried out to determine the mechanism of failure in compressively loaded laminated plates with a circular cutout. Real time holographic interferometry and photomicrography are used to observe the progression of failure. These observations together with post experiment plate sectioning and deplying for interior damage observation provide useful information for modelling the failure process. It is revealed that the failure is initiated as a localised instability in the zero layers, at the hole surface. With increasing load extensive delamination cracking is observed. The progression of failure is by growth of these delaminations induced by delamination buckling. Upon reaching a critical state, catastrophic failure of the plate is observed. The levels of applied load and the rate at which these events occur depend on the plate stacking sequence.

Development of a highly reliable composite board for printed circuitry for use in space environment

NASA Technical Reports Server (NTRS)

Bradbury, E. J.; Markle, R. A.; Dunnavant, W. R.; Stickney, P. B.

1971-01-01

Materials, processes and fabrication techniques have been investigated for the development of a high-temperature circuit-board laminate. High quality, void-free copper-clad laminates have been made using 7628/HS-1 style fiberglas reinforcements with filled polyimide matrices. The fabricating characteristics of P13N resin appear suitable for use as a filled matrix in this circuit board development. High-fired, ball-milled alumina appears to be necessary to obtain the desired effects in the circuit board system. Nickel-clad copper foil bonding surfaces appear to be another requirement for retention of good bond strengths after art work and plating sequences. The fabrication cycle for this circuit board system is very dependent on the heating profile. Very rapid heating with quick loading is recommended. A stack approach to lamination was successfully used.

Microstructural characterization of high-manganese austenitic steels with different stacking fault energies

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

Sato, Shigeo, E-mail: s.sato@imr.tohoku.ac.jp; Kwon, Eui-Pyo; Imafuku, Muneyuki

Microstructures of tensile-deformed high-manganese austenitic steels exhibiting twinning-induced plasticity were analyzed by electron backscatter diffraction pattern observation and X-ray diffraction measurement to examine the influence of differences in their stacking fault energies on twinning activity during deformation. The steel specimen with the low stacking fault energy of 15 mJ/m{sup 2} had a microstructure with a high population of mechanical twins than the steel specimen with the high stacking fault energy (25 mJ/m{sup 2}). The <111> and <100> fibers developed along the tensile axis, and mechanical twinning occurred preferentially in the <111> fiber. The Schmid factors for slip and twinning deformationsmore » can explain the origin of higher twinning activity in the <111> fiber. However, the high stacking fault energy suppresses the twinning activity even in the <111> fiber. A line profile analysis based on the X-ray diffraction data revealed the relationship between the characteristics of the deformed microstructures and the stacking fault energies of the steel specimens. Although the variation in dislocation density with the tensile deformation is not affected by the stacking fault energies, the effect of the stacking fault energies on the crystallite size refinement becomes significant with a decrease in the stacking fault energies. Moreover, the stacking fault probability, which was estimated from a peak-shift analysis of the 111 and 200 diffractions, was high for the specimen with low stacking fault energy. Regardless of the difference in the stacking fault energies of the steel specimens, the refined crystallite size has a certain correlation with the stacking fault probability, indicating that whether the deformation-induced crystallite-size refinement occurs depends directly on the stacking fault probability rather than on the stacking fault energies in the present steel specimens. - Highlights: {yields} We studied effects of stacking fault energies on deformed microstructures of steels. {yields} Correlations between texture and occurrence of mechanical twinning are discussed. {yields} Evolutions of dislocations and crystallite are analyzed by line profile analysis.« less

First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular π Stacking

NASA Astrophysics Data System (ADS)

Tamura, Hiroyuki; Huix-Rotllant, Miquel; Burghardt, Irene; Olivier, Yoann; Beljonne, David

2015-09-01

Singlet excitons in π -stacked molecular crystals can split into two triplet excitons in a process called singlet fission that opens a route to carrier multiplication in photovoltaics. To resolve controversies about the mechanism of singlet fission, we have developed a first principles nonadiabatic quantum dynamical model that reveals the critical role of molecular stacking symmetry and provides a unified picture of coherent versus thermally activated singlet fission mechanisms in different acenes. The slip-stacked equilibrium packing structure of pentacene derivatives is found to enhance ultrafast singlet fission mediated by a coherent superexchange mechanism via higher-lying charge transfer states. By contrast, the electronic couplings for singlet fission strictly vanish at the C2 h symmetric equilibrium π stacking of rubrene. In this case, singlet fission is driven by excitations of symmetry-breaking intermolecular vibrations, rationalizing the experimentally observed temperature dependence. Design rules for optimal singlet fission materials therefore need to account for the interplay of molecular π -stacking symmetry and phonon-induced coherent or thermally activated mechanisms.

Analysis of Percent On-Cell Reformation of Methane in SOFC Stacks: Thermal, Electrical and Stress Analysis

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

Recknagle, Kurtis P.; Yokuda, Satoru T.; Jarboe, Daniel T.

2006-04-07

This report summarizes a parametric analysis performed to determine the effect of varying the percent on-cell reformation (OCR) of methane on the thermal and electrical performance for a generic, planar solid oxide fuel cell (SOFC) stack design. OCR of methane can be beneficial to an SOFC stack because the reaction (steam-methane reformation) is endothermic and can remove excess heat generated by the electrochemical reactions directly from the cell. The heat removed is proportional to the amount of methane reformed on the cell. Methane can be partially pre-reformed externally, then supplied to the stack, where rapid reaction kinetics on the anodemore » ensures complete conversion. Thus, the thermal load varies with methane concentration entering the stack, as does the coupled scalar distributions, including the temperature and electrical current density. The endotherm due to the reformation reaction can cause a temperature depression on the anode near the fuel inlet, resulting in large thermal gradients. This effect depends on factors that include methane concentration, local temperature, and stack geometry.« less

Polarization-insensitive optical gain characteristics of highly stacked InAs/GaAs quantum dots

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

Kita, Takashi; Suwa, Masaya; Kaizu, Toshiyuki

2014-06-21

The polarized optical gain characteristics of highly stacked InAs/GaAs quantum dots (QDs) with a thin spacer layer fabricated on an n{sup +}-GaAs (001) substrate were studied in the sub-threshold gain region. Using a 4.0-nm-thick spacer layer, we realized an electronically coupled QD superlattice structure along the stacking direction, which enabled the enhancement of the optical gain of the [001] transverse-magnetic (TM) polarization component. We systematically studied the polarized electroluminescence properties of laser devices containing 30 and 40 stacked InAs/GaAs QDs. The net modal gain was analyzed using the Hakki-Paoli method. Owing to the in-plane shape anisotropy of QDs, the polarizationmore » sensitivity of the gain depends on the waveguide direction. The gain showing polarization isotropy between the TM and transverse-electric polarization components is high for the [110] waveguide structure, which occurs for higher amounts of stacked QDs. Conversely, the isotropy of the [−110] waveguide is easily achieved even if the stacking is relatively low, although the gain is small.« less

Electronic properties of bilayer graphenes strongly coupled to interlayer stacking and an external field

DOE PAGES

Park, Changwon; Ryou, Junga; Hong, Suklyun; ...

2015-07-02

Bilayer graphene (BLG) with a tunable band gap appears interesting as an alternative to graphene for practical applications; thus, its transport properties are being actively pursued. Using density functional theory and perturbation analysis, we investigated, under an external electric field, the electronic properties of BLG in various stackings relevant to recently observed complex structures. We established the first phase diagram summarizing the stacking-dependent gap openings of BLG for a given field. Lastly, we further identified high-density midgap states, localized on grain boundaries, even under a strong field, which can considerably reduce the overall transport gap.

Thermoacoustic enhancements for nuclear fuel rods and other high temperature applications

DOEpatents

Garrett, Steven L.; Smith, James A.; Kotter, Dale K.

2017-05-09

A nuclear thermoacoustic device includes a housing defining an interior chamber and a portion of nuclear fuel disposed in the interior chamber. A stack is disposed in the interior chamber and has a hot end and a cold end. The stack is spaced from the portion of nuclear fuel with the hot end directed toward the portion of nuclear fuel. The stack and portion of nuclear fuel are positioned such that an acoustic standing wave is produced in the interior chamber. A frequency of the acoustic standing wave depends on a temperature in the interior chamber.

Temporal Characteristics of Radiologists' and Novices' Lesion Detection in Viewing Medical Images Presented Rapidly and Sequentially.

PubMed

Nakashima, Ryoichi; Komori, Yuya; Maeda, Eriko; Yoshikawa, Takeharu; Yokosawa, Kazuhiko

2016-01-01

Although viewing multiple stacks of medical images presented on a display is a relatively new but useful medical task, little is known about this task. Particularly, it is unclear how radiologists search for lesions in this type of image reading. When viewing cluttered and dynamic displays, continuous motion itself does not capture attention. Thus, it is effective for the target detection that observers' attention is captured by the onset signal of a suddenly appearing target among the continuously moving distractors (i.e., a passive viewing strategy). This can be applied to stack viewing tasks, because lesions often show up as transient signals in medical images which are sequentially presented simulating a dynamic and smoothly transforming image progression of organs. However, it is unclear whether observers can detect a target when the target appears at the beginning of a sequential presentation where the global apparent motion onset signal (i.e., signal of the initiation of the apparent motion by sequential presentation) occurs. We investigated the ability of radiologists to detect lesions during such tasks by comparing the performances of radiologists and novices. Results show that overall performance of radiologists is better than novices. Furthermore, the temporal locations of lesions in CT image sequences, i.e., when a lesion appears in an image sequence, does not affect the performance of radiologists, whereas it does affect the performance of novices. Results indicate that novices have greater difficulty in detecting a lesion appearing early than late in the image sequence. We suggest that radiologists have other mechanisms to detect lesions in medical images with little attention which novices do not have. This ability is critically important when viewing rapid sequential presentations of multiple CT images, such as stack viewing tasks.

Temporal Characteristics of Radiologists' and Novices' Lesion Detection in Viewing Medical Images Presented Rapidly and Sequentially

PubMed Central

Nakashima, Ryoichi; Komori, Yuya; Maeda, Eriko; Yoshikawa, Takeharu; Yokosawa, Kazuhiko

2016-01-01

Although viewing multiple stacks of medical images presented on a display is a relatively new but useful medical task, little is known about this task. Particularly, it is unclear how radiologists search for lesions in this type of image reading. When viewing cluttered and dynamic displays, continuous motion itself does not capture attention. Thus, it is effective for the target detection that observers' attention is captured by the onset signal of a suddenly appearing target among the continuously moving distractors (i.e., a passive viewing strategy). This can be applied to stack viewing tasks, because lesions often show up as transient signals in medical images which are sequentially presented simulating a dynamic and smoothly transforming image progression of organs. However, it is unclear whether observers can detect a target when the target appears at the beginning of a sequential presentation where the global apparent motion onset signal (i.e., signal of the initiation of the apparent motion by sequential presentation) occurs. We investigated the ability of radiologists to detect lesions during such tasks by comparing the performances of radiologists and novices. Results show that overall performance of radiologists is better than novices. Furthermore, the temporal locations of lesions in CT image sequences, i.e., when a lesion appears in an image sequence, does not affect the performance of radiologists, whereas it does affect the performance of novices. Results indicate that novices have greater difficulty in detecting a lesion appearing early than late in the image sequence. We suggest that radiologists have other mechanisms to detect lesions in medical images with little attention which novices do not have. This ability is critically important when viewing rapid sequential presentations of multiple CT images, such as stack viewing tasks. PMID:27774080

In-Situ Measurement of High-Temperature Proton Exchange Membrane Fuel Cell Stack Using Flexible Five-in-One Micro-Sensor

PubMed Central

Lee, Chi-Yuan; Weng, Fang-Bor; Kuo, Yzu-Wei; Tsai, Chao-Hsuan; Cheng, Yen-Ting; Cheng, Chih-Kai; Lin, Jyun-Ting

2016-01-01

In the chemical reaction that proceeds in a high-temperature proton exchange membrane fuel cell stack (HT-PEMFC stack), the internal local temperature, voltage, pressure, flow and current nonuniformity may cause poor membrane material durability and nonuniform fuel distribution, thus influencing the performance and lifetime of the fuel cell stack. In this paper micro-electro-mechanical systems (MEMS) are utilized to develop a high-temperature electrochemical environment-resistant five-in-one micro-sensor embedded in the cathode channel plate of an HT-PEMFC stack, and materials and process parameters are appropriately selected to protect the micro-sensor against failure or destruction during long-term operation. In-situ measurement of the local temperature, voltage, pressure, flow and current distributions in the HT-PEMFC stack is carried out. This integrated micro-sensor has five functions, and is favorably characterized by small size, good acid resistance and temperature resistance, quick response, real-time measurement, and the goal is being able to be put in any place for measurement without affecting the performance of the battery. PMID:27763559

In-Situ Measurement of High-Temperature Proton Exchange Membrane Fuel Cell Stack Using Flexible Five-in-One Micro-Sensor.

PubMed

Lee, Chi-Yuan; Weng, Fang-Bor; Kuo, Yzu-Wei; Tsai, Chao-Hsuan; Cheng, Yen-Ting; Cheng, Chih-Kai; Lin, Jyun-Ting

2016-10-18

In the chemical reaction that proceeds in a high-temperature proton exchange membrane fuel cell stack (HT-PEMFC stack), the internal local temperature, voltage, pressure, flow and current nonuniformity may cause poor membrane material durability and nonuniform fuel distribution, thus influencing the performance and lifetime of the fuel cell stack. In this paper micro-electro-mechanical systems (MEMS) are utilized to develop a high-temperature electrochemical environment-resistant five-in-one micro-sensor embedded in the cathode channel plate of an HT-PEMFC stack, and materials and process parameters are appropriately selected to protect the micro-sensor against failure or destruction during long-term operation. In-situ measurement of the local temperature, voltage, pressure, flow and current distributions in the HT-PEMFC stack is carried out. This integrated micro-sensor has five functions, and is favorably characterized by small size, good acid resistance and temperature resistance, quick response, real-time measurement, and the goal is being able to be put in any place for measurement without affecting the performance of the battery.

Communication: Ion mobility of the radical cation dimers: (Naphthalene)2+• and naphthalene+•-benzene: Evidence for stacked sandwich and T-shape structures

NASA Astrophysics Data System (ADS)

Platt, Sean P.; Attah, Isaac K.; Aziz, Saadullah; El-Shall, M. Samy

2015-05-01

Dimer radical cations of aromatic and polycyclic aromatic molecules are good model systems for a fundamental understanding of photoconductivity and ferromagnetism in organic materials which depend on the degree of charge delocalization. The structures of the dimer radical cations are difficult to determine theoretically since the potential energy surface is often very flat with multiple shallow minima representing two major classes of isomers adopting the stacked parallel or the T-shape structure. We present experimental results, based on mass-selected ion mobility measurements, on the gas phase structures of the naphthalene+ṡ ṡ naphthalene homodimer and the naphthalene+ṡ ṡ benzene heterodimer radical cations at different temperatures. Ion mobility studies reveal a persistence of the stacked parallel structure of the naphthalene+ṡ ṡ naphthalene homodimer in the temperature range 230-300 K. On the other hand, the results reveal that the naphthalene+ṡ ṡ benzene heterodimer is able to exhibit both the stacked parallel and T-shape structural isomers depending on the experimental conditions. Exploitation of the unique structural motifs among charged homo- and heteroaromatic-aromatic interactions may lead to new opportunities for molecular design and recognition involving charged aromatic systems.

Electronic Asymmetry by Compositionally Braking Inversion Symmetry

NASA Astrophysics Data System (ADS)

Warusawithana, Maitri

2005-03-01

By stacking molecular layers of 3 different perovskite titanate phases, BaTiO3, SrTiO3 and CaTiO3 with atomic layer control, we construct nanostructures where global inversion symmetry is broken. With the structures clamped to the substrate, the stacking order gives rise to asymmetric strain fields. The dielectric response show asymmetric field tuning consistent with the symmetry of the stacking order. By analyzing the temperature and frequency dependence of the complex dielectric constant, we show that the response comes from activated switching of dipoles between two asymmetric states separated by an energy barrier. We find the size of average dipole units from the temperature dependence of the linewidth of field tuning curves to be around 10 unit cells in all the different nanostructures we investigate. At low temperatures we observe a deviation from the kinetic response suggesting a further growth in correlations. Pyrocurrent measurements confirm this observation indicating a phase transition to a ferro-like state. We explain the high temperature dipoles as single unit cell cross sectional columns correlated via the strain fields in the stacking direction, with the height somewhat short of the film thickness possibly due to some form of weak disorder.

Stacking Orientation Mediation of Pentacene and Derivatives for High Open-Circuit Voltage Organic Solar Cells.

PubMed

Chou, Chi-Ta; Lin, Chien-Hung; Tai, Yian; Liu, Chin-Hsin J; Chen, Li-Chyong; Chen, Kuei-Hsien

2012-05-03

In this Letter, we investigated the effect of the molecular stacking orientation on the open circuit voltage (VOC) of pentacene-based organic solar cells. Two functionalized pentacenes, namely, 6,13-diphenyl-pentacene (DP-penta) and 6,13-dibiphenyl-4-yl-pentacene (DB-penta), were utilized. Different molecular stacking orientations of the pentacene derivatives from the pristine pentacene were identified by angle-dependent near-edge X-ray absorption fine structure measurements. It is concluded that pentacene molecules stand up on the substrate surface, while both functionalized pentacenes lie down. A significant increase of the VOC from 0.28 to 0.83 V can be achieved upon the utilization of functionalized pentacene, owing to the modulation of molecular stacking orientation, which induced a vacuum-level shift.

Neural Encoding and Integration of Learned Probabilistic Sequences in Avian Sensory-Motor Circuitry

PubMed Central

Brainard, Michael S.

2013-01-01

Many complex behaviors, such as human speech and birdsong, reflect a set of categorical actions that can be flexibly organized into variable sequences. However, little is known about how the brain encodes the probabilities of such sequences. Behavioral sequences are typically characterized by the probability of transitioning from a given action to any subsequent action (which we term “divergence probability”). In contrast, we hypothesized that neural circuits might encode the probability of transitioning to a given action from any preceding action (which we term “convergence probability”). The convergence probability of repeatedly experienced sequences could naturally become encoded by Hebbian plasticity operating on the patterns of neural activity associated with those sequences. To determine whether convergence probability is encoded in the nervous system, we investigated how auditory-motor neurons in vocal premotor nucleus HVC of songbirds encode different probabilistic characterizations of produced syllable sequences. We recorded responses to auditory playback of pseudorandomly sequenced syllables from the bird's repertoire, and found that variations in responses to a given syllable could be explained by a positive linear dependence on the convergence probability of preceding sequences. Furthermore, convergence probability accounted for more response variation than other probabilistic characterizations, including divergence probability. Finally, we found that responses integrated over >7–10 syllables (∼700–1000 ms) with the sign, gain, and temporal extent of integration depending on convergence probability. Our results demonstrate that convergence probability is encoded in sensory-motor circuitry of the song-system, and suggest that encoding of convergence probability is a general feature of sensory-motor circuits. PMID:24198363

A revised classification and terminology for stacked and amalgamated turbidites in environments dominated by (hemi)pelagic sedimentation

NASA Astrophysics Data System (ADS)

Van Daele, Maarten; Meyer, Inka; Moernaut, Jasper; De Decker, Steven; Verschuren, Dirk; De Batist, Marc

2017-07-01

Stacked or amalgamated turbidites provide an opportunity to infer the synchronous triggering of multiple slope failures, which is a criterion often used to attribute these slope failures to earthquake shaking; and such turbidites are thus a proxy for reconstructing long-term earthquake recurrence. However, other processes, such as erosion, reflecting turbidity currents and seiching, may produce similar amalgamated/stacked deposits. Here we study two turbidites from Lake Challa, a crater lake on the lower slopes of Kilimanjaro (Kenya/Tanzania). The occurrence in Lake Challa of both single slope failures and basin-wide landslide events, all accompanied by distal turbidites, provides an excellent opportunity to assess the characteristics and significance of amalgamated/stacked turbidites in an enclosed lake basin with diatomaceous sediments, reflecting hemipelagic sedimentation in offshore areas. We also compare the characteristics of amalgamated/stacked turbidites in basins other than Lake Challa to discuss potential causes of different amalgamation patterns (stacked or multi-pulsed character). The low density and elongated shape of diatom frustules increases grain-to-grain interaction and thereby damps turbulence, resulting in faster bed aggradation and a stacked character of the amalgamated turbidites. Finally, as currently both synchronously and non-synchronously triggered turbidites are in literature referred to as ;stacked turbidite;, we propose a revised terminology that differentiates an ;amalgamated turbidite; from a ;turbidite stack;. In sedimentary environments that are dominated by (hemi)pelagic sedimentation, and where turbidity currents are anomalous events, an ;amalgamated turbidite; can often be shown to be the result of synchronous triggering, while a ;turbidite stack; must always result from a succession of discrete events.

High Temperature Electrolysis 4 kW Experiment Design, Operation, and Results

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

J.E. O'Brien; X. Zhang; K. DeWall

2012-09-01

This report provides results of long-term stack testing completed in the new high-temperature steam electrolysis multi-kW test facility recently developed at INL. The report includes detailed descriptions of the piping layout, steam generation and delivery system, test fixture, heat recuperation system, hot zone, instrumentation, and operating conditions. This facility has provided a demonstration of high-temperature steam electrolysis operation at the 4 kW scale with advanced cell and stack technology. This successful large-scale demonstration of high-temperature steam electrolysis will help to advance the technology toward near-term commercialization.

Impact of molecular flexibility on binding strength and self-sorting of chiral π-surfaces.

PubMed

Safont-Sempere, Marina M; Osswald, Peter; Stolte, Matthias; Grüne, Matthias; Renz, Manuel; Kaupp, Martin; Radacki, Krzysztof; Braunschweig, Holger; Würthner, Frank

2011-06-22

In this work, we have explored for the first time the influence of conformational flexibility of π-core on chiral self-sorting properties of perylene bisimides (PBIs) that are currently one of the most prominent classes of functional dyes. For this purpose, two series of chiral macrocyclic PBIs 3a-c and 4a-c comprising oligoethylene glycol bridges of different lengths at the 1,7 bay positions were synthesized and their atropo-enantiomers (P and M enantiomers) were resolved. Single crystal analysis of atropo-enantiomerically pure (P)-3a not only confirmed the structural integrity of the ethylene glycol bridged macrocycle but also illustrated the formation of π-stacked dimers with left-handed supramolecular helicity. Our detailed studies with the series of highly soluble chiral PBIs 4a-c by 1- and 2-D (1)H NMR techniques, and temperature- and concentration-dependent UV/vis absorption and circular dichroism (CD) spectroscopy revealed that in π-π-stacking dimerization of these PBIs chiral self-recognition (i.e., PP and MM homodimer formation) prevails over self-discrimination (i.e., PM heterodimer formation). Our studies clearly showed that with increasing conformational flexibility of PBI cores imparted by longer bridging units, the binding strength for the dimerization process increases, however, the efficiency for chiral self-recognition decreases. These results are rationalized in terms of an induced-fit mechanism facilitating more planarized π-scaffolds of PBIs containing longer bridging units upon π-π-stacking.

Application of differential scanning calorimetry to measure the differential binding of ions, water and protons in the unfolding of DNA molecules.

PubMed

Olsen, Chris M; Shikiya, Ronald; Ganugula, Rajkumar; Reiling-Steffensmeier, Calliste; Khutsishvili, Irine; Johnson, Sarah E; Marky, Luis A

2016-05-01

The overall stability of DNA molecules globally depends on base-pair stacking, base-pairing, polyelectrolyte effect and hydration contributions. In order to understand how they carry out their biological roles, it is essential to have a complete physical description of how the folding of nucleic acids takes place, including their ion and water binding. To investigate the role of ions, water and protons in the stability and melting behavior of DNA structures, we report here an experimental approach i.e., mainly differential scanning calorimetry (DSC), to determine linking numbers: the differential binding of ions (Δnion), water (ΔnW) and protons (ΔnH(+)) in the helix-coil transition of DNA molecules. We use DSC and temperature-dependent UV spectroscopic techniques to measure the differential binding of ions, water, and protons for the unfolding of a variety of DNA molecules: salmon testes DNA (ST-DNA), one dodecamer, one undecamer and one decamer duplexes, nine hairpin loops, and two triplexes. These methods can be applied to any conformational transition of a biomolecule. We determined complete thermodynamic profiles, including all three linking numbers, for the unfolding of each molecule. The favorable folding of a DNA helix results from a favorable enthalpy-unfavorable entropy compensation. DSC thermograms and UV melts as a function of salt, osmolyte and proton concentrations yielded releases of ions and water. Therefore, the favorable folding of each DNA molecule results from the formation of base-pair stacks and uptake of both counterions and water molecules. In addition, the triplex with C(+)GC base triplets yielded an uptake of protons. Furthermore, the folding of a DNA duplex is accompanied by a lower uptake of ions and a similar uptake of four water molecules as the DNA helix gets shorter. In addition, the oligomer duplexes and hairpin thermodynamic data suggest ion and water binding depends on the DNA sequence rather than DNA composition. Copyright © 2015. Published by Elsevier B.V.

A computational analysis of the ballistic performance of light-weight hybrid composite armors

NASA Astrophysics Data System (ADS)

Grujicic, M.; Pandurangan, B.; Koudela, K. L.; Cheeseman, B. A.

2006-11-01

The ability of hybrid light-weight fiber-reinforced polymer-matrix composite laminate armor to withstand the impact of a fragment simulating projectile (FSP) is investigated using a non-linear dynamics transient computational analysis. The hybrid armor is constructed using various combinations and stacking sequences of a high-strength/high-stiffness carbon fiber-reinforced epoxy (CFRE) and a high-ductility/high-toughness Kevlar fiber-reinforced epoxy (KFRE) composite laminates of different thicknesses. The results obtained indicate that at a fixed thickness of the armor both the stacking sequence and the number of CFRE/KFRE laminates substantially affect the ballistic performance of the armor. Specifically, it is found that the armor consisting of one layer of KFRE and one layer of CFRE, with KFRE laminate constituting the outer surface of the armor, possesses the maximum resistance towards the projectile-induced damage and failure. The results obtained are rationalized using an analysis of the elastic wave reflection and transmission behavior at the inter-laminate and laminate/air interfaces.

Hybrid Composite Laminates Reinforced with Kevlar/Carbon/Glass Woven Fabrics for Ballistic Impact Testing

PubMed Central

Randjbaran, Elias; Zahari, Rizal; Abdul Jalil, Nawal Aswan; Abang Abdul Majid, Dayang Laila

2014-01-01

Current study reported a facile method to investigate the effects of stacking sequence layers of hybrid composite materials on ballistic energy absorption by running the ballistic test at the high velocity ballistic impact conditions. The velocity and absorbed energy were accordingly calculated as well. The specimens were fabricated from Kevlar, carbon, and glass woven fabrics and resin and were experimentally investigated under impact conditions. All the specimens possessed equal mass, shape, and density; nevertheless, the layers were ordered in different stacking sequence. After running the ballistic test at the same conditions, the final velocities of the cylindrical AISI 4340 Steel pellet showed how much energy was absorbed by the samples. The energy absorption of each sample through the ballistic impact was calculated; accordingly, the proper ballistic impact resistance materials could be found by conducting the test. This paper can be further studied in order to characterise the material properties for the different layers. PMID:24955400

Scale effects in the response and failure of fiber reinforced composite laminates loaded in tension and in flexure

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Kellas, Sotiris; Morton, John

1992-01-01

The feasibility of using scale model testing for predicting the full-scale behavior of flat composite coupons loaded in tension and beam-columns loaded in flexure is examined. Classical laws of similitude are applied to fabricate and test replica model specimens to identify scaling effects in the load response, strength, and mode of failure. Experiments were performed on graphite-epoxy composite specimens having different laminate stacking sequences and a range of scaled sizes. From the experiments it was deduced that the elastic response of scaled composite specimens was independent of size. However, a significant scale effect in strength was observed. In addition, a transition in failure mode was observed among scaled specimens of certain laminate stacking sequences. A Weibull statistical model and a fracture mechanics based model were applied to predict the strength scale effect since standard failure criteria cannot account for the influence of absolute specimen size on strength.

RACER a Coarse-Grained RNA Model for Capturing Folding Free Energy in Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Cheng, Sara; Bell, David; Ren, Pengyu

RACER is a coarse-grained RNA model that can be used in molecular dynamics simulations to predict native structures and sequence-specific variation of free energy of various RNA structures. RACER is capable of accurate prediction of native structures of duplexes and hairpins (average RMSD of 4.15 angstroms), and RACER can capture sequence-specific variation of free energy in excellent agreement with experimentally measured stabilities (r-squared =0.98). The RACER model implements a new effective non-bonded potential and re-parameterization of hydrogen bond and Debye-Huckel potentials. Insights from the RACER model include the importance of treating pairing and stacking interactions separately in order to distinguish folded an unfolded states and identification of hydrogen-bonding, base stacking, and electrostatic interactions as essential driving forces for RNA folding. Future applications of the RACER model include predicting free energy landscapes of more complex RNA structures and use of RACER for multiscale simulations.

The changing architecture of sea-level lowstand deposits across the Mid-Pleistocene Transition: South Evoikos Gulf, Greece

NASA Astrophysics Data System (ADS)

Anastasakis, George; Piper, David J. W.

2013-08-01

On subsiding continental shelves, the style of stacked coastal and deltaic progradational packages is directly dependent on relative sea-level changes. In the past ˜0.6 Ma, sea-level change has been dominated by asymmetric 100 ka eustatic sea-level cycles, whereas the record of sea-level changes in earlier Pleistocene progradational sequences is less clear. In a steadily subsiding basin in which accommodation balances sediment flux, the depth of a eustatic lowstand determines the paleo-depth of the deepest clinoform inflection point and the seaward limit of the erosional transgressive surface, whereas the duration of a lowstand controls the amount of progradation that takes place. We report high-resolution seismic profiles of an exceptionally preserved coastal progradational sequence from a coastal embayment in the Aegean Sea that is subsiding at ˜100 m/Ma. The seismic profiles show clinoforms of smaller amplitude and volume that were deposited before the 100 ka cyclic progradational units. This contrasts with literature reports of complexity in progradational sequences at that time. We assume that published stacked benthic foram O-isotope records are a good proxy for the duration and a reasonable proxy for the amplitude of Pleistocene eustatic sea-level cycles. The MIS 6-5 eustatic sea-level rise is recognised based on sedimentation rates from cores. The underlying major progradational units are correlated with the long-duration, extreme lowstand 100 ka cycles of MIS 6, 12 and 16. Changes in the elevation of lowstand inflection points in clinoforms are used to tentatively extend the record back to MIS 38, by comparison with the benthic foram proxy. The deposits of the higher and longer highstands of MIS 25, 31 and 37 are also recognised. This record provides a testable template for future studies of short early Pleistocene sections on land and raises questions of detail about parts of the published δ18O records. It independently supports the recent evidence that the Mid-Pleistocene transition was an abrupt event, with an extreme lowstand in MIS 22.

Identification of an evolutionarily conserved regulatory element of the zebrafish col2a1a gene.

PubMed

Dale, Rodney M; Topczewski, Jacek

2011-09-15

Zebrafish (Danio rerio) is an excellent model organism for the study of vertebrate development including skeletogenesis. Studies of mammalian cartilage formation were greatly advanced through the use of a cartilage specific regulatory element of the Collagen type II alpha 1 (Col2a1) gene. In an effort to isolate such an element in zebrafish, we compared the expression of two col2a1 homologues and found that expression of col2a1b, a previously uncharacterized zebrafish homologue, only partially overlaps with col2a1a. We focused our analysis on col2a1a, as it is expressed in both the stacked chondrocytes and the perichondrium. By comparing the genomic sequence surrounding the predicted transcriptional start site of col2a1a among several species of teleosts we identified a small highly conserved sequence (R2) located 1.7 kb upstream of the presumptive transcriptional initiation site. Interestingly, neither the sequence nor location of this element is conserved between teleost and mammalian Col2a1. We generated transient and stable transgenic lines with just the R2 element or the entire 1.7 kb fragment 5' of the transcriptional initiation site. The identified regulatory elements enable the tracking of cellular development in various tissues by driving robust reporter expression in craniofacial cartilage, ear, notochord, floor plate, hypochord and fins in a pattern similar to the expression of endogenous col2a1a. Using a reporter gene driven by the R2 regulatory element, we analyzed the morphogenesis of the notochord sheath cells as they withdraw from the stack of initially uniform cells and encase the inflating vacuolated notochord cells. Finally, we show that like endogenous col2a1a, craniofacial expression of these reporter constructs depends on Sox9a transcription factor activity. At the same time, notochord expression is maintained after Sox9a knockdown, suggesting that other factors can activate expression through the identified regulatory element in this tissue. Copyright © 2011 Elsevier Inc. All rights reserved.

Identification of an evolutionarily conserved regulatory element of the zebrafish col2a1a gene

PubMed Central

Dale, Rodney M.; Topczewski, Jacek

2011-01-01

Zebrafish (Danio rerio) is an excellent model organism for the study of vertebrate development including skeletogenesis. Studies of mammalian cartilage formation were greatly advanced through the use of a cartilage specific regulatory element of the Collagen type II alpha 1 (Col2a1) gene. In an effort to isolate such an element in zebrafish, we compared the expression of two col2a1 homologues and found that expression of col2a1b, a previously uncharacterized zebrafish homologue, only partially overlaps with col2a1a. We focused our analysis on col2a1a, as it is expressed in both the stacked chondrocytes and the perichondrium. By comparing the genomic sequence surrounding the predicted transcriptional start site of col2a1a among several species of teleosts we identified a small highly conserved sequence (R2) located 1.7 kb upstream of the presumptive transcriptional initiation site. Interestingly, neither the sequence nor location of this element is conserved between teleost and mammalian Col2a1. We generated transient and stable transgenic lines with just the R2 element or the entire 1.7 kb fragment 5’ of the transcriptional initiation site. The identified regulatory elements enable the tracking of cellular development in various tissues by driving robust reporter expression in craniofacial cartilage, ear, notochord, floor plate, hypochord and fins in a pattern similar to the expression of endogenous col2a1a. Using a reporter gene driven by the R2 regulatory element, we analyzed the morphogenesis of the notochord sheath cells as they withdraw from the stack of initially uniform cells and encase the inflating vacuolated notochord cells. Finally, we show that like endogenous col2a1a, craniofacial expression of these reporter constructs depends on Sox9a transcription factor activity. At the same time, notochord expression is maintained after Sox9a knockdown, suggesting that other factors can activate expression through the identified regulatory element in this tissue. PMID:21723274

Quantitative 3-D Corneal Imaging In Vivo Using a Modified HRT- RCM Confocal Microscope

PubMed Central

Petroll, W. Matthew.; Weaver, Matthew; Vaidya, Saurabh; McCulley, James P.; Cavanagh, H. Dwight

2012-01-01

Purpose The purpose of this study was to develop and test hardware and software modifications to allow quantitative full-thickness corneal imaging using the HRT Rostock Corneal Module. Methods A PC-controlled motor drive with positional feedback was integrated into the system to allow automated focusing through the entire cornea. The left eyes of ten New Zealand White rabbits were scanned from endothelium to epithelium. Image sequences were read into a custom-developed program for depth calculation and measurement of sub-layer thicknesses. 3-D visualizations were also generated using Imaris. In six rabbits, stack images were registered, and depth-dependent counts of keratocyte nuclei were made using Metamorph. Results The mean epithelial and corneal thicknesses measured in the rabbit were 47 ± 5 μm and 373 ± 25 μm, respectively (N = 10 corneas); coefficients of variation for repeated scans were 8.2% and 2.1%. Corneal thickness measured using ultrasonic pachymetry was 374 ± 17 μm. The mean overall keratocyte density measured in the rabbit was 43,246 ± 5,603 cells/mm3 in vivo (N = 6 corneas). There was a gradual decrease in keratocyte density from the anterior to posterior cornea (R = 0.99), consistent with previous data generated in vitro. Conclusions This modified system allows high resolution 3-D image stacks to be collected from the full thickness rabbit cornea in vivo. These datasets can be used for interactive visualization of corneal cell layers, measurement of sub-layer thickness, and depth-dependent keratocyte density measurements. Overall, the modifications significantly expand the potential quantitative research applications of the HRT-RCM microscope. PMID:23051907

The effects of DNA supercoiling on G-quadruplex formation.

PubMed

Sekibo, Doreen A T; Fox, Keith R

2017-12-01

Guanine-rich DNAs can fold into four-stranded structures that contain stacks of G-quartets. Bioinformatics studies have revealed that G-rich sequences with the potential to adopt these structures are unevenly distributed throughout genomes, and are especially found in gene promoter regions. With the exception of the single-stranded telomeric DNA, all genomic G-rich sequences will always be present along with their C-rich complements, and quadruplex formation will be in competition with the corresponding Watson-Crick duplex. Quadruplex formation must therefore first require local dissociation (melting) of the duplex strands. Since negative supercoiling is known to facilitate the formation of alternative DNA structures, we have investigated G-quadruplex formation within negatively supercoiled DNA plasmids. Plasmids containing multiple copies of (G3T)n and (G3T4)n repeats, were probed with dimethylsulphate, potassium permanganate and S1 nuclease. While dimethylsulphate footprinting revealed some evidence for G-quadruplex formation in (G3T)n sequences, this was not affected by supercoiling, and permanganate failed to detect exposed thymines in the loop regions. (G3T4)n sequences were not protected from DMS and showed no reaction with permanganate. Similarly, both S1 nuclease and 2D gel electrophoresis of DNA topoisomers did not detect any supercoil-dependent structural transitions. These results suggest that negative supercoiling alone is not sufficient to drive G-quadruplex formation. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

KSC-00pp0858

NASA Image and Video Library

2000-06-29

Inside the Vehicle Assembly Building, the forward section of a solid rocket booster (SRB) sits on top of the rest of the stack for mating. The forward section of each booster, from nose cap to forward skirt contains avionics, a sequencer, forward separation motors, a nose cone separation system, drogue and main parachutes, a recovery beacon, a recovery light, a parachute camera on selected flights and a range safety system. Each SRB weighs approximately 1.3 million pounds at launch. The SRB is part of the stack for Space Shuttle Discovery and the STS-92 mission, scheduled for launch Oct. 5, from Launch Pad 39A, on the fifth flight to the International Space Station

KSC00pp0858

NASA Image and Video Library

2000-06-29

Inside the Vehicle Assembly Building, the forward section of a solid rocket booster (SRB) sits on top of the rest of the stack for mating. The forward section of each booster, from nose cap to forward skirt contains avionics, a sequencer, forward separation motors, a nose cone separation system, drogue and main parachutes, a recovery beacon, a recovery light, a parachute camera on selected flights and a range safety system. Each SRB weighs approximately 1.3 million pounds at launch. The SRB is part of the stack for Space Shuttle Discovery and the STS-92 mission, scheduled for launch Oct. 5, from Launch Pad 39A, on the fifth flight to the International Space Station

Whole-brain background-suppressed pCASL MRI with 1D-accelerated 3D RARE Stack-Of-Spirals readout

PubMed Central

Vidorreta, Marta; Wang, Ze; Chang, Yulin V.; Wolk, David A.; Fernández-Seara, María A.; Detre, John A.

2017-01-01

Arterial Spin Labeled (ASL) perfusion MRI enables non-invasive, quantitative measurements of tissue perfusion, and has a broad range of applications including brain functional imaging. However, ASL suffers from low signal-to-noise ratio (SNR), limiting image resolution. Acquisitions using 3D readouts are optimal for background-suppression of static signals, but can be SAR intensive and typically suffer from through-plane blurring. In this study, we investigated the use of accelerated 3D readouts to obtain whole-brain, high-SNR ASL perfusion maps and reduce SAR deposition. Parallel imaging was implemented along the partition-encoding direction in a pseudo-continuous ASL sequence with background-suppression and 3D RARE Stack-Of-Spirals readout, and its performance was evaluated in three small cohorts. First, both non-accelerated and two-fold accelerated single-shot versions of the sequence were evaluated in healthy volunteers during a motor-photic task, and the performance was compared in terms of temporal SNR, GM-WM contrast, and statistical significance of the detected activation. Secondly, single-shot 1D-accelerated imaging was compared to a two-shot accelerated version to assess benefits of SNR and spatial resolution for applications in which temporal resolution is not paramount. Third, the efficacy of this approach in clinical populations was assessed by applying the single-shot 1D-accelerated version to a larger cohort of elderly volunteers. Accelerated data demonstrated the ability to detect functional activation at the subject level, including cerebellar activity, without loss in the perfusion signal temporal stability and the statistical power of the activations. The use of acceleration also resulted in increased GM-WM contrast, likely due to reduced through-plane partial volume effects, that were further attenuated with the use of two-shot readouts. In a clinical cohort, image quality remained excellent, and expected effects of age and sex on cerebral blood flow could be detected. The sequence is freely available upon request for academic use and could benefit a broad range of cognitive and clinical neuroscience research. PMID:28837640

Surface dislocation nucleation controlled deformation of Au nanowires

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

Roos, B.; Kapelle, B.; Volkert, C. A., E-mail: volkert@ump.gwdg.de

2014-11-17

We investigate deformation in high quality Au nanowires under both tension and bending using in-situ transmission electron microscopy. Defect evolution is investigated during: (1) tensile deformation of 〈110〉 oriented, initially defect-free, single crystal nanowires with cross-sectional widths between 30 and 300 nm, (2) bending deformation of the same wires, and (3) tensile deformation of wires containing coherent twin boundaries along their lengths. We observe the formation of twins and stacking faults in the single crystal wires under tension, and storage of full dislocations after bending of single crystal wires and after tension of twinned wires. The stress state dependence of themore » deformation morphology and the formation of stacking faults and twins are not features of bulk Au, where deformation is controlled by dislocation interactions. Instead, we attribute the deformation morphologies to the surface nucleation of either leading or trailing partial dislocations, depending on the Schmid factors, which move through and exit the wires producing stacking faults or full dislocation slip. The presence of obstacles such as neutral planes or twin boundaries hinder the egress of the freshly nucleated dislocations and allow trailing and leading partial dislocations to combine and to be stored as full dislocations in the wires. We infer that the twins and stacking faults often observed in nanoscale Au specimens are not a direct size effect but the result of a size and obstacle dependent transition from dislocation interaction controlled to dislocation nucleation controlled deformation.« less

Development and Applications of a Stage Stacking Procedure

NASA Technical Reports Server (NTRS)

Kulkarni, Sameer; Celestina, Mark L.; Adamczyk, John J.

2012-01-01

The preliminary design of multistage axial compressors in gas turbine engines is typically accomplished with mean-line methods. These methods, which rely on empirical correlations, estimate compressor performance well near the design point, but may become less reliable off-design. For land-based applications of gas turbine engines, off-design performance estimates are becoming increasingly important, as turbine plant operators desire peaking or load-following capabilities and hot-day operability. The current work develops a one-dimensional stage stacking procedure, including a newly defined blockage term, which is used to estimate the off-design performance and operability range of a 13-stage axial compressor used in a power generating gas turbine engine. The new blockage term is defined to give mathematical closure on static pressure, and values of blockage are shown to collapse to curves as a function of stage inlet flow coefficient and corrected shaft speed. In addition to these blockage curves, the stage stacking procedure utilizes stage characteristics of ideal work coefficient and adiabatic efficiency. These curves are constructed using flow information extracted from computational fluid dynamics (CFD) simulations of groups of stages within the compressor. Performance estimates resulting from the stage stacking procedure are shown to match the results of CFD simulations of the entire compressor to within 1.6% in overall total pressure ratio and within 0.3 points in overall adiabatic efficiency. Utility of the stage stacking procedure is demonstrated by estimation of the minimum corrected speed which allows stable operation of the compressor. Further utility of the stage stacking procedure is demonstrated with a bleed sensitivity study, which estimates a bleed schedule to expand the compressors operating range.

Design trade-offs among shunt current, pumping loss and compactness in the piping system of a multi-stack vanadium flow battery

NASA Astrophysics Data System (ADS)

Ye, Qiang; Hu, Jing; Cheng, Ping; Ma, Zhiqi

2015-11-01

Trade-off between shunt current loss and pumping loss is a major challenge in the design of the electrolyte piping network in a flow battery system. It is generally recognized that longer and thinner ducts are beneficial to reduce shunt current but detrimental to minimize pumping power. Base on the developed analog circuit model and the flow network model, we make case studies of multi-stack vanadium flow battery piping systems and demonstrate that both shunt current and electrolyte flow resistance can be simultaneously minimized by using longer and thicker ducts in the piping network. However, extremely long and/or thick ducts lead to a bulky system and may be prohibited by the stack structure. Accordingly, the intrinsic design trade-off is between system efficiency and compactness. Since multi-stack configurations bring both flexibility and complexity to the design process, we perform systematic comparisons among representative piping system designs to illustrate the complicated trade-offs among numerous parameters including stack number, intra-stack channel resistance and inter-stack pipe resistance. As the final design depends on various technical and economical requirements, this paper aims to provide guidelines rather than solutions for designers to locate the optimal trade-off points according to their specific cases.

Twisted MoSe 2 bilayers with variable local stacking and interlayer coupling revealed by low-frequency Raman spectroscopy

DOE PAGES

Puretzky, Alexander A.; Liang, Liangbo; Li, Xufan; ...

2016-01-14

Unique twisted bilayers of MoSe 2 with multiple stacking orientations and interlayer couplings in the narrow range of twist angles, 60 ± 3°, are revealed by low-frequency Raman spectroscopy and theoretical analysis. The slight deviation from 60 allows the concomitant presence of patches featuring all three high-symmetry stacking configurations (2H or AA', AB', A'B) in one unique bilayer system. In this case, the periodic arrangement of the patches and their size strongly depend on the twist angle. Ab initio modeling predicts significant changes in frequencies and intensities of low-frequency modes versus stacking and twist angle. Experimentally, the variable stacking andmore » coupling across the interface is revealed by the appearance of two breathing modes corresponding to the mixture of the high-symmetry stacking configurations and unaligned regions of monolayers. Only one breathing mode is observed outside the narrow range of twist angles. This indicates a stacking transition to unaligned monolayers with mismatched atom registry without the in-plane restoring force required to generate a shear mode. As a result, the variable interlayer coupling and spacing in transition metal dichalcogenide bilayers revealed in this study may provide a new platform for optoelectronic applications of these materials.« less

Twisted MoSe 2 bilayers with variable local stacking and interlayer coupling revealed by low-frequency Raman spectroscopy

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

Puretzky, Alexander A.; Liang, Liangbo; Li, Xufan

Unique twisted bilayers of MoSe 2 with multiple stacking orientations and interlayer couplings in the narrow range of twist angles, 60 ± 3°, are revealed by low-frequency Raman spectroscopy and theoretical analysis. The slight deviation from 60 allows the concomitant presence of patches featuring all three high-symmetry stacking configurations (2H or AA', AB', A'B) in one unique bilayer system. In this case, the periodic arrangement of the patches and their size strongly depend on the twist angle. Ab initio modeling predicts significant changes in frequencies and intensities of low-frequency modes versus stacking and twist angle. Experimentally, the variable stacking andmore » coupling across the interface is revealed by the appearance of two breathing modes corresponding to the mixture of the high-symmetry stacking configurations and unaligned regions of monolayers. Only one breathing mode is observed outside the narrow range of twist angles. This indicates a stacking transition to unaligned monolayers with mismatched atom registry without the in-plane restoring force required to generate a shear mode. As a result, the variable interlayer coupling and spacing in transition metal dichalcogenide bilayers revealed in this study may provide a new platform for optoelectronic applications of these materials.« less

Variable Temperature Performance of a Si(Li) Detector Stack

NASA Technical Reports Server (NTRS)

Hubbard, G. Scott; McMurray, Robert E., Jr.; Keller, R. G.; Wercinski, P. F.; Walton, J. T.; Wong, Y. K.

1994-01-01

New experimental data is presented which displays 137Cs resolution of both single Si(Li) devices and a detector stack 2 cm in height as a function of temperature (85 K greater than or equal to T greater than or equal to 245 K). We also discuss variations in photopeak shape which indicate that detector charge collection may be temperature dependent over the range of interest.

Coupling time constants of striated and copper-plated coated conductors and the potential of striation to reduce shielding-current-induced fields in pancake coils

NASA Astrophysics Data System (ADS)

Amemiya, Naoyuki; Tominaga, Naoki; Toyomoto, Ryuki; Nishimoto, Takuma; Sogabe, Yusuke; Yamano, Satoshi; Sakamoto, Hisaki

2018-07-01

The shielding-current-induced field is a serious concern for the applications of coated conductors to magnets. The striation of the coated conductor is one of the countermeasures, but it is effective only after the decay of the coupling current, which is characterised with the coupling time constant. In a non-twisted striated coated conductor, the coupling time constant is determined primarily by its length and the transverse resistance between superconductor filaments, because the coupling current could flow along its entire length. We measured and numerically calculated the frequency dependences of magnetisation losses in striated and copper-plated coated conductors with various lengths and their stacks at 77 K and determined their coupling time constants. Stacked conductors simulate the turns of a conductor wound into a pancake coil. Coupling time constants are proportional to the square of the conductor length. Stacking striated coated conductors increases the coupling time constants because the coupling currents in stacked conductors are coupled to one another magnetically to increase the mutual inductances for the coupling current paths. We carried out the numerical electromagnetic field analysis of conductors wound into pancake coils and determined their coupling time constants. They can be explained by the length dependence and mutual coupling effect observed in stacked straight conductors. Even in pancake coils with practical numbers of turns, i.e. conductor lengths, the striation is effective to reduce the shielding-current-induced fields for some dc applications.

Characterization of a cis-Golgi matrix protein, GM130

PubMed Central

1995-01-01

Antisera raised to a detergent- and salt-resistant matrix fraction from rat liver Golgi stacks were used to screen an expression library from rat liver cDNA. A full-length clone was obtained encoding a protein of 130 kD (termed GM130), the COOH-terminal domain of which was highly homologous to a Golgi human auto-antigen, golgin-95 (Fritzler et al., 1993). Biochemical data showed that GM130 is a peripheral cytoplasmic protein that is tightly bound to Golgi membranes and part of a larger oligomeric complex. Predictions from the protein sequence suggest that GM130 is an extended rod-like protein with coiled-coil domains. Immunofluorescence microscopy showed partial overlap with medial- and trans-Golgi markers but almost complete overlap with the cis-Golgi network (CGN) marker, syntaxin5. Immunoelectron microscopy confirmed this location showing that most of the GM130 was located in the CGN and in one or two cisternae on the cis-side of the Golgi stack. GM130 was not re-distributed to the ER in the presence of brefeldin A but maintained its overlap with syntaxin5 and a partial overlap with the ER- Golgi intermediate compartment marker, p53. Together these results suggest that GM130 is part of a cis-Golgi matrix and has a role in maintaining cis-Golgi structure. PMID:8557739

Dissecting the structural determinants for the difference in mechanical stability of silk and amyloid beta-sheet stacks.

PubMed

Xiao, Senbo; Xiao, Shijun; Gräter, Frauke

2013-06-14

Stacking of β-sheets results in a protein super secondary structure with remarkable mechanical properties. β-Stacks are the determinants of a silk fiber's resilience and are also the building blocks of amyloid fibrils. While both silk and amyloid-type crystals are known to feature a high resistance against rupture, their structural and mechanical similarities and particularities are yet to be fully understood. Here, we systematically compare the rupture force and stiffness of amyloid and spider silk poly-alanine β-stacks of comparable sizes using Molecular Dynamics simulations. We identify the direction of force application as the primary determinant of the rupture strength; β-sheets in silk are orientated along the fiber axis, i.e. the pulling direction, and consequently require high forces in the several nanoNewton range for shearing β-strands apart, while β-sheets in amyloid are oriented vertically to the fiber, allowing a zipper-like rupture at sub-nanoNewton forces. A secondary factor rendering amyloid β-stacks softer and weaker than their spider silk counterparts is the sub-optimal side-chain packing between β-sheets due to the sequence variations of amyloid-forming proteins as opposed to the perfectly packed poly-alanine β-sheets of silk. Taken together, amyloid fibers can reach the stiffness of silk fibers in spite of their softer and weaker β-sheet arrangement as they are missing a softening amorphous matrix.

Temperature dependent nonlinear metal matrix laminae behavior

NASA Technical Reports Server (NTRS)

Barrett, D. J.; Buesking, K. W.

1986-01-01

An analytical method is described for computing the nonlinear thermal and mechanical response of laminated plates. The material model focuses upon the behavior of metal matrix materials by relating the nonlinear composite response to plasticity effects in the matrix. The foundation of the analysis is the unidirectional material model which is used to compute the instantaneous properties of the lamina based upon the properties of the fibers and matrix. The unidirectional model assumes that the fibers properties are constant with temperature and assumes that the matrix can be modelled as a temperature dependent, bilinear, kinematically hardening material. An incremental approach is used to compute average stresses in the fibers and matrix caused by arbitrary mechanical and thermal loads. The layer model is incorporated in an incremental laminated plate theory to compute the nonlinear response of laminated metal matrix composites of general orientation and stacking sequence. The report includes comparisons of the method with other analytical approaches and compares theoretical calculations with measured experimental material behavior. A section is included which describes the limitations of the material model.

Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex.

PubMed Central

Spink, N; Brown, D G; Skelly, J V; Neidle, S

1994-01-01

The bis-benzimidazole drug Hoechst 33258 has been co-crystallized with the dodecanucleotide sequence d(CGCAAATTTGCG)2. The structure has been solved by molecular replacement and refined to an R factor of 18.5% for 2125 reflections collected on a Xentronics area detector. The drug is bound in the minor groove, at the five base-pair site 5'-ATTTG and is in a unique orientation. This is displaced by one base pair in the 5' direction compared to previously-determined structures of this drug with the sequence d(CGCGAATTCGCG)2. Reasons for this difference in behaviour are discussed in terms of several sequence-dependent structural features of the DNA, with particular reference to differences in propeller twist and minor-groove width. Images PMID:7515488

Anionic microemulsion to solvent stacking for on-line sample concentration of cationic analytes in capillary electrophoresis.

PubMed

Kukusamude, Chunyapuk; Srijaranai, Supalax; Quirino, Joselito P

2014-05-01

The common SDS microemulsion (i.e. 3.3% SDS, 0.8% octane, and 6.6% butanol) and organic solvents were investigated for the stacking of cationic drugs in capillary zone electrophoresis using a low pH separation electrolyte. The sample was prepared in the acidic microemulsion and a high percentage of organic solvent was included in the electrolyte at anodic end of capillary. The stacking mechanism was similar to micelle to solvent stacking where the micelles were replaced by the microemulsion for the transport of analytes to the organic solvent rich boundary. This boundary is found between the microemulsion and anodic electrolyte. The effective electrophoretic mobility of the cations reversed from the direction of the anode in the microemulsion to the cathode in the boundary. Microemulsion to solvent stacking was successfully achieved with 40% ACN in the anodic electrolyte and hydrodynamic sample injection of 21 s at 1000 mbar (equivalent to 30% of the effective length). The sensitivity enhancement factors in terms of peak height and corrected peak area were 15 to 35 and 21 to 47, respectively. The linearity R(2) in terms of corrected peak area were >0.999. Interday precisions (%RSD, n = 6) were 3.3-4.0% for corrected peak area and 2.0-3.0% for migration time. Application to spiked real sample is also presented. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photosensitization of DNA damage by a new cationic pyropheophorbide derivative: sequence-specific formation of a frank scission.

PubMed

Kanony, Claire; Fabiano-Tixier, Anne-Sylvie; Ravanat, Jean-Luc; Vicendo, Patricia; Paillous, Nicole

2003-06-01

Pyropheophorbides are red-absorbing porphyrin-like photosensitizers that may interact with DNA either by intercalation or by external binding with self-stacking according to the value of the nucleotide to chromophore molar ratio (N/C). This article reports on the nature and sequence selectivity of the DNA damage photoinduced by a water-soluble chlorhydrate of aminopyropheophorbide. First, this pyropheophorbide is shown to induce on irradiation the cleavage of phiX174 DNA by both Type-I and -II mechanisms, suggested by scavengers and D2O effects. These conclusions are then improved by sequencing experiments performed on a 20-mer oligodeoxynucleotide (ODN) irradiated at wavelengths >345 nm in the presence of the dye, N/C varying from 2.5 to 0.5. Oxidation of all guanine residues to the same extent is observed after piperidine treatment on both single- and double-stranded ODN. Moreover, unexpectedly, a remarkable sequence-selective cleavage occurring at a 5'-CG-3' site is detected before alkali treatment. This frank break is clearly predominant for a low nucleotide to chromophore molar ratio, corresponding to a self-stacking of the dye along the DNA helix. The electrophoretic properties of the band suggest that this lesion results from a sugar oxidation, which leads via a base release to a ribonolactone residue. The proposal is supported by high-performance liquid chromatography-matrix-assisted laser desorption-ionization mass spectrometry experiments that also reveal other sequence-selective frank scissions of lower intensity at 5'-GC-3' or other 5'-CG-3' sites. This sequence selectivity is discussed with regard to the binding selectivity of cationic porphyrins.

Distinct Element Method modelling of fold-related fractures in a multilayer sequence

NASA Astrophysics Data System (ADS)

Kaserer, Klemens; Schöpfer, Martin P. J.; Grasemann, Bernhard

2017-04-01

Natural fractures have a significant impact on the performance of hydrocarbon systems/reservoirs. In a multilayer sequence, both the fracture density within the individual layers and the type of fracture intersection with bedding contacts are key parameters controlling fluid pathways. In the present study the influence of layer stacking and interlayer friction on fracture density and connectivity within a folded sequence is systematically investigated using 2D Distinct Element Method modelling. Our numerical approach permits forward modelling of both fracture nucleation/propagation/arrest and (contemporaneous) frictional slip along bedding planes in a robust and mechanically sound manner. Folding of the multilayer sequence is achieved by enforcing constant curvature folding by means of a velocity boundary condition at the model base, while a constant overburden pressure is maintained at the model top. The modelling reveals that with high bedding plane friction the multilayer stack behaves mechanically as a single layer so that the neutral surface develops in centre of the sequence and fracture spacing is controlled by the total thickness of the folded sequence. In contrast, low bedding plane friction leads to decoupling of the individual layers (flexural slip folding) so that a neutral surface develops in the centre of each layer and fracture spacing is controlled by the thickness of the individual layers. The low interfacial friction models illustrate that stepping of fractures across bedding planes is a common process, which can however have two contrasting origins: The mechanical properties of the interface cause fracture stepping during fracture propagation. Originally through-going fractures are later offset by interfacial slip during folding. A combination of these two different origins may lead to (apparently) inconsistent fracture offsets across bedding planes within a flexural slip fold.

The coherent interlayer resistance of a single, rotated interface between two stacks of AB graphite

NASA Astrophysics Data System (ADS)

Habib, K. M. Masum; Sylvia, Somaia S.; Ge, Supeng; Neupane, Mahesh; Lake, Roger K.

2013-12-01

The coherent, interlayer resistance of a misoriented, rotated interface between two stacks of AB graphite is determined for a variety of misorientation angles. The quantum-resistance of the ideal AB stack is on the order of 1 to 10 mΩ μm2. For small rotation angles, the coherent interlayer resistance exponentially approaches the ideal quantum resistance at energies away from the charge neutrality point. Over a range of intermediate angles, the resistance increases exponentially with cell size for minimum size unit cells. Larger cell sizes, of similar angles, may not follow this trend. The energy dependence of the interlayer transmission is described.

Lateral excitonic switching in vertically stacked quantum dots

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

Jarzynka, Jarosław R.; McDonald, Peter G.; Galbraith, Ian

2016-06-14

We show that the application of a vertical electric field to the Coulomb interacting system in stacked quantum dots leads to a 90° in-plane switching of charge probability distribution in contrast to a single dot, where no such switching exists. Results are obtained using path integral quantum Monte Carlo with realistic dot geometry, alloy composition, and piezo-electric potential profiles. The origin of the switching lies in the strain interactions between the stacked dots hence the need for more than one layer of dots. The lateral polarization and electric field dependence of the radiative lifetimes of the excitonic switch are alsomore » discussed.« less

Detailed Analysis of Alternatives Report. Version 2.0. Technology Descriptions. Volume 7.

DTIC Science & Technology

1993-07-01

capacity is 25 to 50 tons/hour. Off-gas treatment consists of a partial quench, baghouse, and venturi scrubber . The quench blowdown stream is treated...particulate removal, and a caustic quench step to remove acid gases with a venturi scrubber for additional particulate removal (Figure 7.1-1). The sequence can...quench step to remove acid gases with a venturi scrubber for additional particulate removal. The sequence can be modified to include off gas to stack gas

Graphical classification of DNA sequences of HLA alleles by deep learning.

PubMed

Miyake, Jun; Kaneshita, Yuhei; Asatani, Satoshi; Tagawa, Seiichi; Niioka, Hirohiko; Hirano, Takashi

2018-04-01

Alleles of human leukocyte antigen (HLA)-A DNAs are classified and expressed graphically by using artificial intelligence "Deep Learning (Stacked autoencoder)". Nucleotide sequence data corresponding to the length of 822 bp, collected from the Immuno Polymorphism Database, were compressed to 2-dimensional representation and were plotted. Profiles of the two-dimensional plots indicate that the alleles can be classified as clusters are formed. The two-dimensional plot of HLA-A DNAs gives a clear outlook for characterizing the various alleles.

Develop and test fuel cell powered on-site integrated total energy systems

NASA Technical Reports Server (NTRS)

Kaufman, A.; Pudick, S.; Wang, C. L.; Werth, J.; Whelan, J. A.

1984-01-01

On-going testing of an 11 cell, 10.7 in. x 14 in. stack (about 1 kW) reached 2600 hours on steady load. Nonmetallic cooling plates and an automated electrolyte replenishment system continued to perform well. A 10 cell, 10.7 in. x 14 in. stack was constructed with a modified electrolyte matrix configuration for the purpose of reducing cell IR loss. The desired effect was achieved, but the general cell performance level was irregular. Evaluation is continuing. Preparations for a long term 25 cell, 13 in. x 23 in. test stack (about 4 kW) approached completion. Start up in early May 1984 is expected.

Effect of pore architecture and stacking direction on mechanical properties of solid freeform fabrication-based scaffold for bone tissue engineering.

PubMed

Lee, Jung-Seob; Cha, Hwang Do; Shim, Jin-Hyung; Jung, Jin Woo; Kim, Jong Young; Cho, Dong-Woo

2012-07-01

Fabrication of a three-dimensional (3D) scaffold with increased mechanical strength may be an essential requirement for more advanced bone tissue engineering scaffolds. Various material- and chemical-based approaches have been explored to enhance the mechanical properties of engineered bone tissue scaffolds. In this study, the effects of pore architecture and stacking direction on the mechanical and cell proliferation properties of a scaffold were investigated. The 3D scaffold was prepared using solid freeform fabrication technology with a multihead deposition system. Various types of scaffolds with different pore architectures (lattice, stagger, and triangle types) and stacking directions (horizontal and vertical directions) were fabricated with a blend of polycaprolactone and poly lactic-co-glycolic acid. In compression tests, the triangle-type scaffold was the strongest among the experimental groups. Stacking direction affected the mechanical properties of scaffolds. An in vitro cell counting kit-8 assay showed no significant differences in optical density depending on the different pore architectures and stacking directions. In conclusion, mechanical properties of scaffolds can be enhanced by controlling pore architecture and stacking direction. Copyright © 2012 Wiley Periodicals, Inc.

Injected carrier concentration dependence of the expansion of single Shockley-type stacking faults in 4H-SiC PiN diodes

NASA Astrophysics Data System (ADS)

Tawara, T.; Matsunaga, S.; Fujimoto, T.; Ryo, M.; Miyazato, M.; Miyazawa, T.; Takenaka, K.; Miyajima, M.; Otsuki, A.; Yonezawa, Y.; Kato, T.; Okumura, H.; Kimoto, T.; Tsuchida, H.

2018-01-01

We investigated the relationship between the dislocation velocity and the injected carrier concentration on the expansion of single Shockley-type stacking faults by monitoring the electroluminescence from 4H-SiC PiN diodes with various anode Al concentrations. The injected carrier concentration was calculated using a device simulation that took into account the measured accumulated charge in the drift layer during diode turn-off. The dislocation velocity was strongly dependent on the injected hole concentration, which represents the excess carrier concentration. The activation energy of the dislocation velocity was quite small (below 0.001 eV between 310 and 386 K) over a fixed range of hole concentrations. The average threshold hole concentration required for the expansion of bar-shaped single Shockley-type stacking faults at the interface between the buffer layer and the substrate was determined to be 1.6-2.5 × 1016 cm-3 for diodes with a p-type epitaxial anode with various Al concentrations.

Interface band alignment in high-k gate stacks

NASA Astrophysics Data System (ADS)

Eric, Bersch; Hartlieb, P.

2005-03-01

In order to successfully implement alternate high-K dielectric materials into MOS structures, the interface properties of MOS gate stacks must be better understood. Dipoles that may form at the metal/dielectric and dielectric/semiconductor interfaces make the band offsets difficult to predict. We have measured the conduction and valence band densities of states for a variety MOS stacks using in situ using inverse photoemission (IPE) and photoemission spectroscopy (PES), respectively. Results obtained from clean and metallized (with Ru or Al) HfO2/Si, SiO2/Si and mixed silicate films will be presented. IPE indicates a shift of the conduction band minimum (CBM) to higher energy (i.e. away from EF) with increasing SiO2. The effect of metallization on the location of band edges depends upon the metal species. The addition of N to the dielectrics shifts the CBM in a way that is thickness dependent. Possible mechanisms for these observed effects will be discussed.

Moiré-pattern interlayer potentials in van der Waals materials in the random-phase approximation

NASA Astrophysics Data System (ADS)

Leconte, Nicolas; Jung, Jeil; Lebègue, Sébastien; Gould, Tim

2017-11-01

Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two-dimensional material assemblies where long-range moiré patterns arise due to small lattice constant mismatch or twist angles. Here we study the stacking-dependent interlayer coupling energies between graphene (G) and hexagonal boron nitride (BN) homo- and heterostructures using high-level random-phase approximation (RPA) ab initio calculations. Our results show that although total binding energies within LDA and RPA differ substantially by a factor of 200%-400%, the energy differences as a function of stacking configuration yield nearly constant values with variations smaller than 20%, meaning that LDA estimates are quite reliable. We produce phenomenological fits to these energy differences, which allows us to calculate various properties of interest including interlayer spacing, sliding energetics, pressure gradients, and elastic coefficients to high accuracy. The importance of long-range interactions (captured by RPA but not LDA) on various properties is also discussed. Parametrizations for all fits are provided.

49 CFR 173.465 - Type A packaging tests.

Code of Federal Regulations, 2010 CFR

2010-10-01

..., with contents, must be capable of withstanding the water spray, free drop, stacking and penetration... paragraph (b) of this section are met. (b) Water spray test. The water spray test must precede each test or test sequence prescribed in this section. The water spray test must simulate exposure to rainfall of...

Graphene/MoS(2) heterostructures for ultrasensitive detection of DNA hybridisation.

PubMed

Loan, Phan Thi Kim; Zhang, Wenjing; Lin, Cheng-Te; Wei, Kung-Hwa; Li, Lain-Jong; Chen, Chang-Hsiao

2014-07-23

The photoluminescence signals of a graphene/MoS2 heterostructural stacking film are sensitive to environmental charges, which allows the single-base sequence-selective detection of DNA hybridization with sensitivity to the level of aM. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Topological Quantum Phase Transitions in Two-Dimensional Hexagonal Lattice Bilayers

NASA Astrophysics Data System (ADS)

Zhai, Xuechao; Jin, Guojun

2013-09-01

Since the successful fabrication of graphene, two-dimensional hexagonal lattice structures have become a research hotspot in condensed matter physics. In this short review, we theoretically focus on discussing the possible realization of a topological insulator (TI) phase in systems of graphene bilayer (GBL) and boron nitride bilayer (BNBL), whose band structures can be experimentally modulated by an interlayer bias voltage. Under the bias, a band gap can be opened in AB-stacked GBL but is still closed in AA-stacked GBL and significantly reduced in AA- or AB-stacked BNBL. In the presence of spin-orbit couplings (SOCs), further demonstrations indicate whether the topological quantum phase transition can be realized strongly depends on the stacking orders and symmetries of structures. It is observed that a bulk band gap can be first closed and then reopened when the Rashba SOC increases for gated AB-stacked GBL or when the intrinsic SOC increases for gated AA-stacked BNBL. This gives a distinct signal for a topological quantum phase transition, which is further characterized by a jump of the ℤ2 topological invariant. At fixed SOCs, the TI phase can be well switched by the interlayer bias and the phase boundaries are precisely determined. For AA-stacked GBL and AB-stacked BNBL, no strong TI phase exists, regardless of the strength of the intrinsic or Rashba SOCs. At last, a brief overview is given on other two-dimensional hexagonal materials including silicene and molybdenum disulfide bilayers.

Low-temperature creep of austenitic stainless steels

NASA Astrophysics Data System (ADS)

Reed, R. P.; Walsh, R. P.

2017-09-01

Plastic deformation under constant load (creep) in austenitic stainless steels has been measured at temperatures ranging from 4 K to room temperature. Low-temperature creep data taken from past and unreported austenitic stainless steel studies are analyzed and reviewed. Creep at cryogenic temperatures of common austenitic steels, such as AISI 304, 310 316, and nitrogen-strengthened steels, such as 304HN and 3116LN, are included. Analyses suggests that logarithmic creep (creep strain dependent on the log of test time) best describe austenitic stainless steel behavior in the secondary creep stage and that the slope of creep strain versus log time is dependent on the applied stress/yield strength ratio. The role of cold work, strain-induced martensitic transformations, and stacking fault energy on low-temperature creep behavior is discussed. The engineering significance of creep on cryogenic structures is discussed in terms of the total creep strain under constant load over their operational lifetime at allowable stress levels.

The Thiamine-Pyrophosphate-Motif

NASA Technical Reports Server (NTRS)

Ciszak, Ewa; Dominiak, Paulina

2004-01-01

Thiamin pyrophosphate (TPP), a derivative of vitamin B1, is a cofactor for enzymes performing catalysis in pathways of energy production including the well known decarboxylation of a-keto acid dehydrogenases followed by transketolation. TPP-dependent enzymes constitute a structurally and functionally diverse group exhibiting multimeric subunit organization, multiple domains and two chemically equivalent catalytic centers. Annotation of functional TPP-dependcnt enzymes, therefore, has not been trivial due to low sequence similarity related to this complex organization. Our approach to analysis of structures of known TPP-dependent enzymes reveals for the first time features common to this group, which we have termed the TPP-motif. The TPP-motif consists of specific spatial arrangements of structural elements and their specific contacts to provide for a flip-flop, or alternate site, enzymatic mechanism of action. Analysis of structural elements entrained in the flip-flop action displayed by TPP-dependent enzymes reveals a novel definition of the common amino acid sequences. These sequences allow for annotation of TPP-dependent enzymes, thus advancing functional proteomics. Further details of three-dimensional structures of TPP-dependent enzymes will be discussed.

Combined mechanical loading of composite tubes

NASA Technical Reports Server (NTRS)

Derstine, Mark S.; Pindera, Marek-Jerzy; Bowles, David E.

1988-01-01

An analytical/experimental investigation was performed to study the effect of material nonlinearities on the response of composite tubes subjected to combined axial and torsional loading. The effect of residual stresses on subsequent mechanical response was included in the investigation. Experiments were performed on P75/934 graphite-epoxy tubes with a stacking sequence of (15/0/ + or - 10/0/ -15), using pure torsion and combined axial/torsional loading. In the presence of residual stresses, the analytical model predicted a reduction in the initial shear modulus. Experimentally, coupling between axial loading and shear strain was observed in laminated tubes under combined loading. The phenomenon was predicted by the nonlinear analytical model. The experimentally observed linear limit of the global shear response was found to correspond to the analytically predicted first ply failure. Further, the failure of the tubes was found to be path dependent above a critical load level.

Evidence for radical anion formation during liquid secondary ion mass spectrometry analysis of oligonucleotides and synthetic oligomeric analogues: a deconvolution algorithm for molecular ion region clusters.

PubMed

Laramée, J A; Arbogast, B; Deinzer, M L

1989-10-01

It is shown that one-electron reduction is a common process that occurs in negative ion liquid secondary ion mass spectrometry (LSIMS) of oligonucleotides and synthetic oligonucleosides and that this process is in competition with proton loss. Deconvolution of the molecular anion cluster reveals contributions from (M-2H).-, (M-H)-, M.-, and (M + H)-. A model based on these ionic species gives excellent agreement with the experimental data. A correlation between the concentration of species arising via one-electron reduction [M.- and (M + H)-] and the electron affinity of the matrix has been demonstrated. The relative intensity of M.- is mass-dependent; this is rationalized on the basis of base-stacking. Base sequence ion formation is theorized to arise from M.- radical anion among other possible pathways.

Epitaxial growth of Ti{sub 3}SiC{sub 2} thin films with basal planes parallel or orthogonal to the surface on {alpha}-SiC

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

Drevin-Bazin, A.; Barbot, J. F.; Alkazaz, M.

2012-07-09

The growth of Ti{sub 3}SiC{sub 2} thin films were studied onto {alpha}-SiC substrates differently oriented by thermal annealing of TiAl layers deposited by magnetron sputtering. For any substrate's orientation, transmission electron microscopy coupled with x-ray diffraction showed the coherent epitaxial growth of Ti{sub 3}SiC{sub 2} films along basal planes of SiC. Specifically for the (1120) 4H-SiC, Ti{sub 3}SiC{sub 2} basal planes are found to be orthogonal to the surface. The continuous or textured nature of Ti{sub 3}SiC{sub 2} films does not depend of the SiC stacking sequence and is explained by a step-flow mechanism of growth mode. The ohmic charactermore » of the contact was confirmed by current-voltage measurements.« less

The natural armors of fish: A comparison of the lamination pattern and structure of scales

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

Murcia, Sandra; Lavoie, Ellen; Linley, Tim

Fish scales exhibit a unique balance of flexibility, strength and toughness, which is essential to provide protection without encumbering locomotion. Although the mechanical behavior and structure of this natural armor are of recent interest, a comparison of these qualities from scales of different fish species has not been reported. In this investigation the armor of fish with different locomotion, size and protection needs were analyzed. Scales from the Arapaima gigas, the tarpon (Megalops atlanticus) and the carp (Cyprinus carpio) were compared in terms of the stacking sequence of individual plies and their microstructure. The scales were also compared with respectmore » to anatomical position to distinguish site-specific functional differences. Results show that the lamination sequence of plies for the carp and tarpon exhibit a Bouligand structure with relative rotation of 75° between consecutive plies. The arapaima scales exhibit a cross-ply structure, with 90° rotation between adjacent plies. In addition, results indicate that the volume fraction of reinforcement, the number of plies and the variations in thickness with anatomical position are unique amongst the three fish. These characteristics should be considered in evaluations focused on the mechanical behavior.« less

Preliminary results of radiation measurements on EURECA

NASA Technical Reports Server (NTRS)

Benton, E. V.; Frank, A. L.

1995-01-01

The eleven-month duration of the EURECA mission allows long-term radiation effects to be studied similarly to those of the Long Duration Exposure Facility (LDEF). Basic data can be generated for projections to crew doses and electronic and computer reliability on spacecraft missions. A radiation experiment has been designed for EURECA which uses passive integrating detectors to measure average radiation levels. The components include a Trackoscope, which employs fourteen plastic nuclear track detector (PNTD) stacks to measure the angular dependence of high LET (greater than or equal to 6 keV/micro m) radiation. Also included are TLD's for total absorbed doses, thermal/resonance neutron detectors (TRND's) for low energy neutron fluences and a thick PNTD stack for depth dependence measurements. LET spectra are derived from the PNTD measurements. Preliminary TLD results from seven levels within the detector array show that integrated does inside the flight canister varied from 18.8 +/- 0.6 cGy to 38.9 +/- 1.2 cGy. The TLD's oriented toward the least shielded direction averaged 53% higher in dose than those oriented away from the least shielded direction (minimum shielding toward the least shielded direction varied from 1.13 to 7.9 g/cm(exp 2), Al equivalent). The maximum dose rate on EURECA (1.16 mGy/day) was 37% of the maximum measured on LDEF and dose rates at all depths were less than measured on LDEF. The shielding external to the flight canister covered a greater solid angle about the canister than the LDEF experiments.

Tunable recognition of the steroid α-face by adjacent π-electron density

PubMed Central

Friščić, T.; Lancaster, R. W.; Fábián, L.; Karamertzanis, P. G.

2010-01-01

We report a previously unknown recognition motif between the α-face of the steroid hydrocarbon backbone and π-electron-rich aromatic substrates. Our study is based on a systematic and comparative analysis of the solid-state complexation of four steroids with 24 aromatic molecules. By using the solid state as a medium for complexation, we circumvent solubility and solvent competition problems that are inherent to the liquid phase. Characterization is performed using powder and single crystal X-ray diffraction, infrared solid-state spectroscopy and is complemented by a comprehensive cocrystal structure prediction methodology that surpasses earlier computational approaches in terms of realism and complexity. Our combined experimental and theoretical approach reveals that the α⋯π stacking is of electrostatic origin and is highly dependent on the steroid backbone’s unsaturated and conjugated character. We demonstrate that the α⋯π stacking interaction can drive the assembly of molecules, in particular progesterone, into solid-state complexes without the need for additional strong interactions. It results in a marked difference in the solid-state complexation propensities of different steroids with aromatic molecules, suggesting a strong dependence of the steroid-binding affinity and even physicochemical properties on the steroid’s A-ring structure. Hence, the hydrocarbon part of the steroid is a potentially important variable in structure-activity relationships for establishing the binding and signaling properties of steroids, and in the manufacture of pharmaceutical cocrystals. PMID:20624985

Long-term memory-based control of attention in multi-step tasks requires working memory: evidence from domain-specific interference

PubMed Central

Foerster, Rebecca M.; Carbone, Elena; Schneider, Werner X.

2014-01-01

Evidence for long-term memory (LTM)-based control of attention has been found during the execution of highly practiced multi-step tasks. However, does LTM directly control for attention or are working memory (WM) processes involved? In the present study, this question was investigated with a dual-task paradigm. Participants executed either a highly practiced visuospatial sensorimotor task (speed stacking) or a verbal task (high-speed poem reciting), while maintaining visuospatial or verbal information in WM. Results revealed unidirectional and domain-specific interference. Neither speed stacking nor high-speed poem reciting was influenced by WM retention. Stacking disrupted the retention of visuospatial locations, but did not modify memory performance of verbal material (letters). Reciting reduced the retention of verbal material substantially whereas it affected the memory performance of visuospatial locations to a smaller degree. We suggest that the selection of task-relevant information from LTM for the execution of overlearned multi-step tasks recruits domain-specific WM. PMID:24847304

The binding modes of carbazole derivatives with telomere G-quadruplex

NASA Astrophysics Data System (ADS)

Zhang, Xiu-feng; Zhang, Hui-juan; Xiang, Jun-feng; Li, Qian; Yang, Qian-fan; Shang, Qian; Zhang, Yan-xia; Tang, Ya-lin

2010-10-01

It is reported that carbazole derivatives can stabilize G-quadruplex DNA structure formed by human telomeric sequence, and therefore, they have the potential to serve as anti-cancer agents. In this present study, in order to further explore the binding mode between carbazole derivatives and G-quadruplex formed by human telomeric sequence, two carbazole iodides (BMVEC, MVEC) molecules were synthesized and used to investigate the interaction with the human telomeric parallel and antiparallel G-quadruplex structures by NMR, CD and molecular modeling study. Interestingly, it is the pivotal the cationic charge pendant groups of pyridinium rings of carbazole that plays an essential role in the stabilizing and binding mode of the human telomeric sequences G-quadruplex structure. It was found that BMVEC with two cationic charge pendant groups of pyridinium rings of 9-ethylcarbazole cannot only stabilize parallel G-quadruple of Hum6 by groove binding and G-tetrad stacking modes and antiparallel G-quadruplex of Hum22 by groove binding, but also induce the formation of mixed G-quadruplex of Hum22. While MVEC with one cationic charge pendant groups of pyridinium ring only can bind with the parallel G-quadruplex of Hum6 by the stacking onto the G4 G-tetrad and could not interact with the G-quadruplex of Hum22.

Root-hair endophyte stacking in finger millet creates a physicochemical barrier to trap the fungal pathogen Fusarium graminearum.

PubMed

Mousa, Walaa K; Shearer, Charles; Limay-Rios, Victor; Ettinger, Cassie L; Eisen, Jonathan A; Raizada, Manish N

2016-09-26

The ancient African crop, finger millet, has broad resistance to pathogens including the toxigenic fungus Fusarium graminearum. Here, we report the discovery of a novel plant defence mechanism resulting from an unusual symbiosis between finger millet and a root-inhabiting bacterial endophyte, M6 (Enterobacter sp.). Seed-coated M6 swarms towards root-invading Fusarium and is associated with the growth of root hairs, which then bend parallel to the root axis, subsequently forming biofilm-mediated microcolonies, resulting in a remarkable, multilayer root-hair endophyte stack (RHESt). The RHESt results in a physical barrier that prevents entry and/or traps F. graminearum, which is then killed. M6 thus creates its own specialized killing microhabitat. Tn5-mutagenesis shows that M6 killing requires c-di-GMP-dependent signalling, diverse fungicides and resistance to a Fusarium-derived antibiotic. Further molecular evidence suggests long-term host-endophyte-pathogen co-evolution. The end result of this remarkable symbiosis is reduced deoxynivalenol mycotoxin, potentially benefiting millions of subsistence farmers and livestock. Further results suggest that the anti-Fusarium activity of M6 may be transferable to maize and wheat. RHESt demonstrates the value of exploring ancient, orphan crop microbiomes.

Electrical power from sea and river water by reverse electrodialysis: a first step from the laboratory to a real power plant.

PubMed

Veerman, Joost; Saakes, Michel; Metz, Sybrand J; Harmsen, G Jan

2010-12-01

Electricity can be produced directly with reverse electrodialysis (RED) from the reversible mixing of two solutions of different salinity, for example, sea and river water. The literature published so far on RED was based on experiments with relatively small stacks with cell dimensions less than 10 × 10 cm(2). For the implementation of the RED technique, it is necessary to know the challenges associated with a larger system. In the present study we show the performance of a scaled-up RED stack, equipped with 50 cells, each measuring 25 × 75 cm(2). A single cell consists of an AEM (anion exchange membrane) and a CEM (cation exchange membrane) and therefore, the total active membrane area in the stack is 18.75 m(2). This is the largest dimension of a reverse electrodialysis stack published so far. By comparing the performance of this stack with a small stack (10 × 10 cm(2), 50 cells) it was found that the key performance parameter to maximal power density is the hydrodynamic design of the stack. The power densities of the different stacks depend on the residence time of the fluids in the stack. For the large stack this was negatively affected by the increased hydrodynamic losses due to the longer flow path. It was also found that the large stack generated more power when the sea and river water were flowing in co-current operation. Co-current flow has other advantages, the local pressure differences between sea and river water compartments are low, hence preventing leakage around the internal manifolds and through pinholes in the membranes. Low pressure differences also enable the use of very thin membranes (with low electrical resistance) as well as very open spacers (with low hydrodynamic losses) in the future. Moreover, we showed that the use of segmented electrodes increase the power output by 11%.

Stacking Defects in Synthetic and Meteoritic Hibonites: Implications for High-Temperature Processes in the Solar Nebula

NASA Technical Reports Server (NTRS)

Han, J.; Keller, L. P.; Brearley, A. J.; Danielson, L. R.

2016-01-01

Hibonite (CaAl12O19) is a primary, highly refractory phase occurring in many Ca-Al-rich inclusions (CAIs) from different chondrite groups, except CI chondrites. Hibonite is predicted to be one of the earliest minerals to condense during cooling of the solar nebula at higher temperatures than any other major CAI mineral. Therefore, hibonite has great potential to reveal the processes and conditions of the very early, high-temperature stages of the solar nebular evolution. Previous microstructural studies of hibonite in CAIs and their Wark-Lovering (WL) rims showed the presence of numerous stacking defects in hibonite. These defects are interpreted as the modification of the stacking sequences of spinel and Ca-containing blocks within the ideal hexagonal hibonite structure, as shown by experimental studies of reaction-sintered ceramic CaO-Al2O3 compounds. We performed preliminary experiments in the CaO-Al2O3-MgO system to understand the formation processes and conditions of defect-structured hibonite found in meteorites.

Breakdown of Shape Memory Effect in Bent Cu-Al-Ni Nanopillars: When Twin Boundaries Become Stacking Faults.

PubMed

Liu, Lifeng; Ding, Xiangdong; Sun, Jun; Li, Suzhi; Salje, Ekhard K H

2016-01-13

Bent Cu-Al-Ni nanopillars (diameters 90-750 nm) show a shape memory effect, SME, for diameters D > 300 nm. The SME and the associated twinning are located in a small deformed section of the nanopillar. Thick nanopillars (D > 300 nm) transform to austenite under heating, including the deformed region. Thin nanopillars (D < 130 nm) do not twin but generate highly disordered sequences of stacking faults in the deformed region. No SME occurs and heating converts only the undeformed regions into austenite. The defect-rich, deformed region remains in the martensite phase even after prolonged heating in the stability field of austenite. A complex mixture of twins and stacking faults was found for diameters 130 nm < D < 300 nm. The size effect of the SME in Cu-Al-Ni nanopillars consists of an approximately linear reduction of the SME between 300 and 130 nm when the SME completely vanishes for smaller diameters.

Duplex and triplex formation of mixed pyrimidine oligonucleotides with stacking of phenyl-triazole moieties in the major groove.

PubMed

Andersen, Nicolai Krog; Døssing, Holger; Jensen, Frank; Vester, Birte; Nielsen, Poul

2011-08-05

5-(1-Phenyl-1,2,3-triazol-4-yl)-2'-deoxycytidine was synthesized from a modified CuAAC protocol and incorporated into mixed pyrimidine oligonucleotide sequences together with the corresponding 5-(1-phenyl-1,2,3-triazol-4-yl)-2'-deoxyuridine. With consecutive incorporations of the two modified nucleosides, improved duplex formation with a complementary RNA and improved triplex formation with a complementary DNA duplex were observed. The improvement is due to π-π stacking of the phenyl-triazole moieties in the major groove. The strongest stacking and most pronounced positive influence on thermal stability was found in between the uridine analogues or with the cytidine analogue placed in the 3' direction to the uridine analogue. Modeling indicated a different orientation of the phenyl-triazole moieties in the major groove to account for the difference between the two nucleotides. The modified oligonucleotides were all found to be significantly stabilized toward nucleolytic degration.

Selected Growth of Cubic and Hexagonal GaN Epitaxial Films on Polar MgO(111)

NASA Astrophysics Data System (ADS)

Lazarov, V. K.; Zimmerman, J.; Cheung, S. H.; Li, L.; Weinert, M.; Gajdardziska-Josifovska, M.

2005-06-01

Selected molecular beam epitaxy of zinc blende (111) or wurtzite (0001) GaN films on polar MgO(111) is achieved depending on whether N or Ga is deposited first. The cubic stacking is enabled by nitrogen-induced polar surface stabilization, which yields a metallic MgO(111)-(1×1)-ON surface. High-resolution transmission electron microscopy and density functional theory studies indicate that the atomically abrupt semiconducting GaN(111)/MgO(111) interface has a Mg-O-N-Ga stacking, where the N atom is bonded to O at a top site. This specific atomic arrangement at the interface allows the cubic stacking to more effectively screen the substrate and film electric dipole moment than the hexagonal stacking, thus stabilizing the zinc blende phase even though the wurtzite phase is the ground state in the bulk.

Spectral gain profile of a multi-stack terahertz quantum cascade laser

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

Bachmann, D., E-mail: dominic.bachmann@tuwien.ac.at; Deutsch, C.; Krall, M.

2014-11-03

The spectral gain of a multi-stack terahertz quantum cascade laser, composed of three active regions with emission frequencies centered at 2.3, 2.7, and 3.0 THz, is studied as a function of driving current and temperature using terahertz time-domain spectroscopy. The optical gain associated with the particular quantum cascade stacks clamps at different driving currents and saturates to different values. We attribute these observations to varying pumping efficiencies of the respective upper laser states and to frequency dependent optical losses. The multi-stack active region exhibits a spectral gain full width at half-maximum of 1.1 THz. Bandwidth and spectral position of themore » measured gain match with the broadband laser emission. As the laser action ceases with increasing operating temperature, the gain at the dominant lasing frequency of 2.65 THz degrades sharply.« less

Vortex states in a submicron Bi2212 crystal probed by intrinsic Josephson junctions

NASA Astrophysics Data System (ADS)

Ooi, S.; Tachiki, M.; Mochiku, T.; Wang, H. B.; Komori, K.; Hirata, K.; Arisawa, S.

2018-03-01

To study the pancake-vortex states confined in a submicron Bi2Sr2CaCu2O8+y (Bi2212) crystal, we have measured the c-axis resistance and I-V characteristics of a stack of intrinsic Josephson junctions with a lateral dimension less than 1 µm. Although the stack was accidentally shunted by a parallel resistance of 7.5 kΩ, the I-V characteristics show homogeneous multiple branches after the subtraction of the component. The penetrations of single vortices into the submicron stack were clearly observed in the resistance measurements. A vortex phase diagram was constructed by mapping the c-axis resistance on an H-T plane. Temperature dependence of the first-vortex penetration field is consistent with the theoretical estimation on the formation of a pancake-vortex stack in the center of a superconducting strip.

Charge separation and charge delocalization identified in long-living states of photoexcited DNA

PubMed Central

Bucher, Dominik B.; Pilles, Bert M.; Carell, Thomas; Zinth, Wolfgang

2014-01-01

Base stacking in DNA is related to long-living excited states whose molecular nature is still under debate. To elucidate the molecular background we study well-defined oligonucleotides with natural bases, which allow selective UV excitation of one single base in the strand. IR probing in the picosecond regime enables us to dissect the contribution of different single bases to the excited state. All investigated oligonucleotides show long-living states on the 100-ps time scale, which are not observable in a mixture of single bases. The fraction of these states is well correlated with the stacking probabilities and reaches values up to 0.4. The long-living states show characteristic absorbance bands that can be assigned to charge-transfer states by comparing them to marker bands of radical cation and anion spectra. The charge separation is directed by the redox potential of the involved bases and thus controlled by the sequence. The spatial dimension of this charge separation was investigated in longer oligonucleotides, where bridging sequences separate the excited base from a sensor base with a characteristic marker band. After excitation we observe a bleach of all involved bases. The contribution of the sensor base is observable even if the bridge is composed of several bases. This result can be explained by a charge delocalization along a well-stacked domain in the strand. The presence of charged radicals in DNA strands after light absorption may cause reactions—oxidative or reductive damage—currently not considered in DNA photochemistry. PMID:24616517

Adhesion enhancement methods for a roll-to-sheet fabrication process of DE stack-transducers and their influences on the electric properties

NASA Astrophysics Data System (ADS)

Bochmann, Helge; von Heckel, Benedikt; Maas, Jürgen

2017-04-01

Transducers made of dielectric elastomers (DE) offer versatile opportunities for many different applications. To gain large strains and forces a multilayer topology is commonly used. DE stack-transducers represent one multilayer topology and can be operated as a sensor, a generator or an actuator simultaneously. They are made of many layers of DE films, like silicone (PDMS) and polyurethane (PUR), stacked on top of each other. The single layers are several micrometers thin and coated with a compliant electrode on both sides. Depending on the application a DE transducer has to withstand tensile forces, which may lead to a delamination of the layers and a ripping of the stack-transducer. This can be prevented by enhancing the adhesion among the layers. Within this contribution a surface plasma jet treatment with an atmospheric plasma beam as well as an adhesive utilized as electrode material was investigated to obtain an adhesion enhancement. The effects of these methods to enhance the adhesion are introduced briefly. Furthermore, various investigations were made to determine the benefits of the enhancement methods with respect to the electromechanical properties of the electrode. Therefore, certain tests regarding the surface resistance of the electrode and the dielectric breakdown strength (DBS) of the DE film were conducted. The tests indicate that the influences are strongly dependent on the composition of the electrode and the used DE material. Finally, improvements for a dry deposition roll-to-sheet manufacturing process for DE stack-transducers are derived from the obtained results.

Motion Imagery and Robotics Application (MIRA)

NASA Technical Reports Server (NTRS)

Martinez, Lindolfo; Rich, Thomas

2011-01-01

Objectives include: I. Prototype a camera service leveraging the CCSDS Integrated protocol stack (MIRA/SM&C/AMS/DTN): a) CCSDS MIRA Service (New). b) Spacecraft Monitor and Control (SM&C). c) Asynchronous Messaging Service (AMS). d) Delay/Disruption Tolerant Networking (DTN). II. Additional MIRA Objectives: a) Demo of Camera Control through ISS using CCSDS protocol stack (Berlin, May 2011). b) Verify that the CCSDS standards stack can provide end-to-end space camera services across ground and space environments. c) Test interoperability of various CCSDS protocol standards. d) Identify overlaps in the design and implementations of the CCSDS protocol standards. e) Identify software incompatibilities in the CCSDS stack interfaces. f) Provide redlines to the SM&C, AMS, and DTN working groups. d) Enable the CCSDS MIRA service for potential use in ISS Kibo camera commanding. e) Assist in long-term evolution of this entire group of CCSDS standards to TRL 6 or greater.

Effect of stacking faults on the magnetocrystalline anisotropy of hcp Co: a first-principles study.

PubMed

Aas, C J; Szunyogh, L; Evans, R F L; Chantrell, R W

2013-07-24

In terms of the fully relativistic screened Korringa-Kohn-Rostoker method we investigate the effect of stacking faults on the magnetic properties of hexagonal close-packed (hcp) cobalt. In particular, we consider the formation energy and the effect on the magnetocrystalline anisotropy energy (MAE) of four different stacking faults in hcp cobalt-an intrinsic growth fault, an intrinsic deformation fault, an extrinsic fault and a twin-like fault. We find that the intrinsic growth fault has the lowest formation energy, in good agreement with previous first-principles calculations. With the exception of the intrinsic deformation fault which has a positive impact on the MAE, we find that the presence of a stacking fault generally reduces the MAE of bulk Co. Finally, we consider a pair of intrinsic growth faults and find that their effect on the MAE is not additive, but synergic.

Stacking fault energies and slip in nanocrystalline metals.

PubMed

Van Swygenhoven, H; Derlet, P M; Frøseth, A G

2004-06-01

The search for deformation mechanisms in nanocrystalline metals has profited from the use of molecular dynamics calculations. These simulations have revealed two possible mechanisms; grain boundary accommodation, and intragranular slip involving dislocation emission and absorption at grain boundaries. But the precise nature of the slip mechanism is the subject of considerable debate, and the limitations of the simulation technique need to be taken into consideration. Here we show, using molecular dynamics simulations, that the nature of slip in nanocrystalline metals cannot be described in terms of the absolute value of the stacking fault energy-a correct interpretation requires the generalized stacking fault energy curve, involving both stable and unstable stacking fault energies. The molecular dynamics technique does not at present allow for the determination of rate-limiting processes, so the use of our calculations in the interpretation of experiments has to be undertaken with care.

Structural and thermodynamic consideration of metal oxide doped GeO{sub 2} for gate stack formation on germanium

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

Lu, Cimang, E-mail: cimang@adam.t.u-tokyo.ac.jp; Lee, Choong Hyun; Zhang, Wenfeng

2014-11-07

A systematic investigation was carried out on the material and electrical properties of metal oxide doped germanium dioxide (M-GeO{sub 2}) on Ge. We propose two criteria on the selection of desirable M-GeO{sub 2} for gate stack formation on Ge. First, metal oxides with larger cation radii show stronger ability in modifying GeO{sub 2} network, benefiting the thermal stability and water resistance in M-GeO{sub 2}/Ge stacks. Second, metal oxides with a positive Gibbs free energy for germanidation are required for good interface properties of M-GeO{sub 2}/Ge stacks in terms of preventing the Ge-M metallic bond formation. Aggressive equivalent oxide thickness scalingmore » to 0.5 nm is also demonstrated based on these understandings.« less

On the interplay between chirality and exciton coupling: a DFT calculation of the circular dichroism in π-stacked ethylene.

PubMed

Norman, Patrick; Linares, Mathieu

2014-09-01

The chirality of stacked weakly interacting π-systems was interpreted in terms of Frenkel exciton states and the formation of excitonic circular dichroism (CD) bands was monitored for ethylene stacks of varying sizes. Convergence of CD bands with respect to the system size was observed for stacks involving around 10 molecules. By means of rotation around the C-C double bond in ethylene, chirality was induced in the monomeric system and which was shown to dominate the spectral responses, even for polymer aggregates. In helical assemblies of chiral entities, there will always be a mix of excitonic and monomeric contributions to the CD signal and it is demonstrated that the complex polarization propagator approach in combination with Density Functional Theory is a suitable method to address this situation. © 2014 Wiley Periodicals, Inc.

X-ray versus infrared selection of distant galaxy clusters: a case study using the XMM-LSS and SpARCS cluster samples

NASA Astrophysics Data System (ADS)

Willis, J. P.; Ramos-Ceja, M. E.; Muzzin, A.; Pacaud, F.; Yee, H. K. C.; Wilson, G.

2018-07-01

We present a comparison of two samples of z> 0.8 galaxy clusters selected using different wavelength-dependent techniques and examine the physical differences between them. We consider 18 clusters from the X-ray-selected XMM Large Scale Structure (LSS) distant cluster survey and 92 clusters from the optical-mid-infrared (MIR)-selected Spitzer Adaptation of the Red Sequence Cluster survey (SpARCS) cluster survey. Both samples are selected from the same approximately 9 sq deg sky area and we examine them using common XMM-Newton, Spitizer Wide-Area Infrared Extra-galactic (SWIRE) survey, and Canada-France-Hawaii Telescope Legacy Survey data. Clusters from each sample are compared employing aperture measures of X-ray and MIR emission. We divide the SpARCS distant cluster sample into three sub-samples: (i) X-ray bright, (ii) X-ray faint, MIR bright, and (iii) X-ray faint, MIR faint clusters. We determine that X-ray- and MIR-selected clusters display very similar surface brightness distributions of galaxy MIR light. In addition, the average location and amplitude of the galaxy red sequence as measured from stacked colour histograms is very similar in the X-ray- and MIR-selected samples. The sub-sample of X-ray faint, MIR bright clusters displays a distribution of brightest cluster galaxy-barycentre position offsets which extends to higher values than all other samples. This observation indicates that such clusters may exist in a more disturbed state compared to the majority of the distant cluster population sampled by XMM-LSS and SpARCS. This conclusion is supported by stacked X-ray images for the X-ray faint, MIR bright cluster sub-sample that display weak, centrally concentrated X-ray emission, consistent with a population of growing clusters accreting from an extended envelope of material.

Electric-field-induced plasmon in AA-stacked bilayer graphene

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

Chuang, Y.C., E-mail: yingchih.chuang@gmail.com; Wu, J.Y., E-mail: yarst5@gmail.com; Lin, M.F., E-mail: mflin@mail.ncku.edu.tw

2013-12-15

The collective excitations in AA-stacked bilayer graphene for a perpendicular electric field are investigated analytically within the tight-binding model and the random-phase approximation. Such a field destroys the uniform probability distribution of the four sublattices. This drives a symmetry breaking between the intralayer and interlayer polarization intensities from the intrapair band excitations. A field-induced acoustic plasmon thus emerges in addition to the strongly field-tunable intrinsic acoustic and optical plasmons. At long wavelengths, the three modes show different dispersions and field dependence. The definite physical mechanism of the electrically inducible and tunable mode can be expected to also be present inmore » other AA-stacked few-layer graphenes. -- Highlights: •The analytical derivations are performed by the tight-binding model. •An electric field drives the non-uniformity of the charge distribution. •A symmetry breaking between the intralayer and interlayer polarizations is illustrated. •An extra plasmon emerges besides two intrinsic modes in AA-stacked bilayer graphene. •The mechanism of a field-induced mode is present in AA-stacked few-layer graphenes.« less

Interfacial Cation-Defect Charge Dipoles in Stacked TiO2/Al2O3 Gate Dielectrics.

PubMed

Zhang, Liangliang; Janotti, Anderson; Meng, Andrew C; Tang, Kechao; Van de Walle, Chris G; McIntyre, Paul C

2018-02-14

Layered atomic-layer-deposited and forming-gas-annealed TiO 2 /Al 2 O 3 dielectric stacks, with the Al 2 O 3 layer interposed between the TiO 2 and a p-type germanium substrate, are found to exhibit a significant interface charge dipole that causes a ∼-0.2 V shift of the flat-band voltage and suppresses the leakage current density for gate injection of electrons. These effects can be eliminated by the formation of a trilayer dielectric stack, consistent with the cancellation of one TiO 2 /Al 2 O 3 interface dipole by the addition of another dipole of opposite sign. Density functional theory calculations indicate that the observed interface-dependent properties of TiO 2 /Al 2 O 3 dielectric stacks are consistent in sign and magnitude with the predicted behavior of Al Ti and Ti Al point-defect dipoles produced by local intermixing of the Al 2 O 3 /TiO 2 layers across the interface. Evidence for such intermixing is found in both electrical and physical characterization of the gate stacks.

A Mid-Holocene Relative Sea-Level Stack, New Jersey, USA

NASA Astrophysics Data System (ADS)

Horton, B.; Walker, J. S.; Kemp, A.; Shaw, T. J.; Kopp, R. E.

2017-12-01

Most high resolution (decimeter- and decadal-scale) relative sea-level (RSL) records using salt-marsh microfossils as a proxy only extend through the Common Era, limiting our understanding of driving mechanisms of RSL change and how sea-level is influenced by changing climate. Records beyond the Common Era are limited by the depth of continuous sequences of salt-marsh peat suitable for high resolution reconstructions, as well as contamination by local processes such as sediment compaction. In contrast, sequences of basal peats have produced compaction-free RSL records through the Holocene, but at a low resolution (meter- and centennial-scale). We devise a new Multi-Proxy Presence/Absence Method (MP2AM) to develop a mid-Holocene RSL stack. We stack a series of 1 m basal peat cores that overlap along a uniform elevational gradient above an incompressible basal sand. We analyzed three sea-level indicators from 14 cores: foraminifera, testate amoebae, and stable carbon isotope geochemistry. To reconstruct RSL, this multi-proxy approach uses the timesaving presence/absence of forams and testates to determine the elevation of the highest occurrence of forams and the lowest occurrence of testates in each basal core. We use stable carbon isotope geochemistry to determine the C3/C4 vegetation boundary in each core. We develop age-depth models for each core using a series of radiocarbon dates. The RSL records from each 1 m basal core are combined to create a stack or, in effect, one long core of salt-marsh material. This method removes the issue of compaction to create a continuous RSL record to address temporal changes and periods of climate and sea-level variability. We reconstruct a southern NJ mid-Holocene RSL record from Edwin B. Forsythe National Wildlife Refuge, where Kemp et al. (2013) completed a 2500 yr RSL record using a foraminifera-based transfer function approach. Preliminary radiocarbon dates suggest the basal sequence is at least 4246-4408 cal yrs BP. Presence/absence of forams and testates and the transition of C3/C4 vegetation is identified in each core and constrained with radiocarbon dating. A short core with full counts of forams and testates is used to test the new method and compare with the traditional foraminifera-based transfer function approach and the local tide gauge record.

Correlation of plume opacity with particles and sulfates from boilers

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

Lou, J.C.; Lee, M.; Chen, K.S.

1997-07-01

The effects of emission concentrations of particulate matters and sulfates on plume opacity are investigated by in situ measurements. The studies are conducted for three processes of two coal-fired plants and one oil-fired that are all equipped with electrostatic precipitators. Flue-gas sampling and analysis include the concentrations of particles and total water soluble sulfates, particle size distribution, and flue-gas composition; while in-stack and out-of-stack opacities are determined by a transmissometer and certified smoke inspectors, respectively. Experimental results show that plume opacity outside the stack linearly correlates well with the in-stack opacity. The mixing of hot flue gas with cold ambientmore » air would result in the condensation of hygroscopic sulfuric acid aerosols and an increase about 1.6% out of typical 15--25% measured opacity. An empirical equation similar to the Beer-Lambert-Bouger form is derived for predicting the plume opacity in terms of the stack diameter and the concentrations of particles and total water soluble sulfates. Good comparisons are achieved between predictions by the empirical equation and other available field data.« less

Synthesis and properties of ApU analogues containing 2'-halo-2'-deoxyadenosines. Effects of 2' substituents on oligonucleotide conformation.

PubMed

Uesugi, S; Kaneyasu, T; Ikehara, M

1982-11-09

Five A-U analogues containing deoxyadenosine or 2'-halo-2'-deoxyadenosines, which are known to have widely different C3'-endo conformer populations according to their electronegativities of the halogen substituents, dAfl-U, dAcl-U, dAbr-U, dAio-U, and dA-U, were synthesized chemically. Characterization of these dimers has been performed by UV absorption, circular dichroism, and proton nuclear magnetic resonance spectroscopy. The results show that the dimers containing 2'-halo-2'-deoxyadenosines have stacked conformations with a geometry similar to that of A-U and the degree of stacking decreases in the order dAfl-U greater than dAcl-U greater than dAbr-U greater than dAio-U. dAcl-U is assumed to have the same degree of stacking as A-U. dA-U takes a more stacked conformation than does dAio-U, but the mode of stacking is different from those of the other dimers. The effects of the 2' substituents on dimer conformation are discussed in terms of electronegativity, molecular size, and hydrophobicity.

Prognostics of Proton Exchange Membrane Fuel Cells stack using an ensemble of constraints based connectionist networks

NASA Astrophysics Data System (ADS)

Javed, Kamran; Gouriveau, Rafael; Zerhouni, Noureddine; Hissel, Daniel

2016-08-01

Proton Exchange Membrane Fuel Cell (PEMFC) is considered the most versatile among available fuel cell technologies, which qualify for diverse applications. However, the large-scale industrial deployment of PEMFCs is limited due to their short life span and high exploitation costs. Therefore, ensuring fuel cell service for a long duration is of vital importance, which has led to Prognostics and Health Management of fuel cells. More precisely, prognostics of PEMFC is major area of focus nowadays, which aims at identifying degradation of PEMFC stack at early stages and estimating its Remaining Useful Life (RUL) for life cycle management. This paper presents a data-driven approach for prognostics of PEMFC stack using an ensemble of constraint based Summation Wavelet- Extreme Learning Machine (SW-ELM) models. This development aim at improving the robustness and applicability of prognostics of PEMFC for an online application, with limited learning data. The proposed approach is applied to real data from two different PEMFC stacks and compared with ensembles of well known connectionist algorithms. The results comparison on long-term prognostics of both PEMFC stacks validates our proposition.

Integrated Cabin and Fuel Cell System Thermal Management with a Metal Hydride Heat Pump

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

Hovland, V.

2004-12-01

Integrated approaches for the heating and cooling requirements of both the fuel cell (FC) stack and cabin environment are critical to fuel cell vehicle performance in terms of stack efficiency, fuel economy, and cost. An integrated FC system and cabin thermal management system would address the cabin cooling and heating requirements, control the temperature of the stack by mitigating the waste heat, and ideally capture the waste heat and use it for useful purposes. Current work at the National Renewable Energy Laboratory (NREL) details a conceptual design of a metal hydride heat pump (MHHP) for the fuel cell system andmore » cabin thermal management.« less

Sharing programming resources between Bio* projects through remote procedure call and native call stack strategies.

PubMed

Prins, Pjotr; Goto, Naohisa; Yates, Andrew; Gautier, Laurent; Willis, Scooter; Fields, Christopher; Katayama, Toshiaki

2012-01-01

Open-source software (OSS) encourages computer programmers to reuse software components written by others. In evolutionary bioinformatics, OSS comes in a broad range of programming languages, including C/C++, Perl, Python, Ruby, Java, and R. To avoid writing the same functionality multiple times for different languages, it is possible to share components by bridging computer languages and Bio* projects, such as BioPerl, Biopython, BioRuby, BioJava, and R/Bioconductor. In this chapter, we compare the two principal approaches for sharing software between different programming languages: either by remote procedure call (RPC) or by sharing a local call stack. RPC provides a language-independent protocol over a network interface; examples are RSOAP and Rserve. The local call stack provides a between-language mapping not over the network interface, but directly in computer memory; examples are R bindings, RPy, and languages sharing the Java Virtual Machine stack. This functionality provides strategies for sharing of software between Bio* projects, which can be exploited more often. Here, we present cross-language examples for sequence translation, and measure throughput of the different options. We compare calling into R through native R, RSOAP, Rserve, and RPy interfaces, with the performance of native BioPerl, Biopython, BioJava, and BioRuby implementations, and with call stack bindings to BioJava and the European Molecular Biology Open Software Suite. In general, call stack approaches outperform native Bio* implementations and these, in turn, outperform RPC-based approaches. To test and compare strategies, we provide a downloadable BioNode image with all examples, tools, and libraries included. The BioNode image can be run on VirtualBox-supported operating systems, including Windows, OSX, and Linux.

Discrete breathers dynamic in a model for DNA chain with a finite stacking enthalpy

NASA Astrophysics Data System (ADS)

Gninzanlong, Carlos Lawrence; Ndjomatchoua, Frank Thomas; Tchawoua, Clément

2018-04-01

The nonlinear dynamics of a homogeneous DNA chain based on site-dependent finite stacking and pairing enthalpies is studied. A new variant of extended discrete nonlinear Schrödinger equation describing the dynamics of modulated wave is derived. The regions of discrete modulational instability of plane carrier waves are studied, and it appears that these zones depend strongly on the phonon frequency of Fourier's mode. The staggered/unstaggered discrete breather (SDB/USDB) is obtained straightforwardly without the staggering transformation, and it is demonstrated that SDBs are less unstable than USDB. The instability of discrete multi-humped SDB/USDB solution does not depend on the number of peaks of the discrete breather (DB). By using the concept of Peierls-Nabarro energy barrier, it appears that the low-frequency DBs are more mobile.

Sequential Syndrome Decoding of Convolutional Codes

NASA Technical Reports Server (NTRS)

Reed, I. S.; Truong, T. K.

1984-01-01

The algebraic structure of convolutional codes are reviewed and sequential syndrome decoding is applied to those codes. These concepts are then used to realize by example actual sequential decoding, using the stack algorithm. The Fano metric for use in sequential decoding is modified so that it can be utilized to sequentially find the minimum weight error sequence.

Scaling of energy absorbing composite plates

NASA Technical Reports Server (NTRS)

Jackson, Karen; Morton, John; Traffanstedt, Catherine; Boitnott, Richard

1992-01-01

The energy absorption response and crushing characteristics of geometrically scaled graphite-Kevlar epoxy composite plates were investigated. Three different trigger mechanisms including chamfer, notch, and steeple geometries were incorporated into the plate specimens to initiate crushing. Sustained crushing was achieved with a simple test fixture which provided lateral support to prevent global buckling. Values of specific sustained crushing stress (SSCS) were obtained which were comparable to values reported for tube specimens from previously published data. Two sizes of hybrid plates were fabricated; a baseline or model plate, and a full-scale plate with in-plane dimensions scaled by a factor of two. The thickness dimension of the full-scale plates was increased using two different techniques; the ply-level method in which each ply orientation in the baseline laminate stacking sequence is doubled, and the sublaminate technique in which the baseline laminate stacking sequence is repeated as a group. Results indicated that the SSCS is independent of trigger mechanism geometry. However, a reduction in the SSCS of 10-25 percent was observed for the full-scale plates as compared with the baseline specimens, indicating a scaling effect in the crushing response.

Scaling of energy absorbing composite plates

NASA Astrophysics Data System (ADS)

Jackson, Karen; Morton, John; Traffanstedt, Catherine; Boitnott, Richard

The energy absorption response and crushing characteristics of geometrically scaled graphite-Kevlar epoxy composite plates were investigated. Three different trigger mechanisms including chamfer, notch, and steeple geometries were incorporated into the plate specimens to initiate crushing. Sustained crushing was achieved with a simple test fixture which provided lateral support to prevent global buckling. Values of specific sustained crushing stress (SSCS) were obtained which were comparable to values reported for tube specimens from previously published data. Two sizes of hybrid plates were fabricated; a baseline or model plate, and a full-scale plate with in-plane dimensions scaled by a factor of two. The thickness dimension of the full-scale plates was increased using two different techniques; the ply-level method in which each ply orientation in the baseline laminate stacking sequence is doubled, and the sublaminate technique in which the baseline laminate stacking sequence is repeated as a group. Results indicated that the SSCS is independent of trigger mechanism geometry. However, a reduction in the SSCS of 10-25 percent was observed for the full-scale plates as compared with the baseline specimens, indicating a scaling effect in the crushing response.

Thermomechanical Performance of C and SiC Multilayer, Fiber-Reinforced, CVI SiC Matrix Composites

NASA Technical Reports Server (NTRS)

Morscher, Gregory N.; Singh, Mrityunjay

2004-01-01

Hybrid fiber approaches have been attempted in the past to alloy desirable properties of different fiber-types for mechanical properties, thermal stress management, and oxidation resistance. Such an approach has potential for the CrSiC and SiCrSiC composite systems. SiC matrix composites with different stacking sequences of woven C fiber (T300) layers and woven Sic fiber (Hi-NicalonTM) layers were fabricated using the standard CVI process. Delamination occurred to some extent due to thermal mismatch for all of the composites. However, for the composites with a more uniform stacking sequence, minimal delamination occurred, enabling tensile properties to be determined at room temperature and elevated temperatures (stress-rupture in air). Composites were seal-coated with a CVI SiC layer as well as a proprietary C-B-Si (CBS) layer. Definite improvement in rupture behavior was observed in air for composites with increasing SiC fiber content and a CBS layer. The results will be compared to standard C fiber reinforced CVI SiC matrix and Hi-Nicalon reinforced CVI SiC matrix composites.

Phobos Viewed from Mars

NASA Image and Video Library

2005-09-11

Taking advantage of extra solar energy collected during the day, NASA's Mars Exploration Rover Spirit settled in for an evening of stargazing, photographing the two moons of Mars as they crossed the night sky. The first two images in this sequence show gradual enhancements in the surface detail of Mars' largest moon, Phobos, made possible through a combination technique known as "stacking." In "stacking," scientists use a mathematical process known as Laplacian sharpening to reinforce features that appear consistently in repetitive images and minimize features that show up only intermittently. In this view of Phobos, the large crater named Stickney is just out of sight on the moon's upper right limb. Spirit acquired the first two images with the panoramic camera on the night of sol 585 (Aug. 26,2005). The far right image of Phobos, for comparison, was taken by the High Resolution Stereo Camera on Mars Express, a European Space Agency orbiter. The third image in this sequence was derived from the far right image by making it blurrier for comparison with the panoramic camera images to the left http://photojournal.jpl.nasa.gov/catalog/PIA06335

High power multiple wavelength diode laser stack for DPSSL application without temperature control

NASA Astrophysics Data System (ADS)

Hou, Dong; Yin, Xia; Wang, Jingwei; Chen, Shi; Zhan, Yun; Li, Xiaoning; Fan, Yingmin; Liu, Xingsheng

2018-02-01

High power diode laser stack is widely used in pumping solid-state laser for years. Normally an integrated temperature control module is required for stabilizing the output power of solid-state laser, as the output power of the solid-state laser highly depends on the emission wavelength and the wavelength shift of diode lasers according to the temperature changes. However the temperature control module is inconvenient for this application, due to its large dimension, high electric power consumption and extra adding a complicated controlling system. Furthermore, it takes dozens of seconds to stabilize the output power when the laser system is turned on. In this work, a compact hard soldered high power conduction cooled diode laser stack with multiple wavelengths is developed for stabilizing the output power of solid-state laser in a certain temperature range. The stack consists of 5 laser bars with the pitch of 0.43mm. The peak output power of each bar in the diode laser stack reaches as much as 557W and the combined lasing wavelength spectrum profile spans 15nm. The solidstate laser, structured with multiple wavelength diode laser stacks, allows the ambient temperature change of 65°C without suddenly degrading the optical performance.

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces

DOE PAGES

Gruber, J.; Zhou, X. W.; Jones, R. E.; ...

2017-05-15

Here, we investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and (11more » $$\\bar{2}$$0) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T* m(x) ≤ 0.90], where T* m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar (11$$\\bar{2}$$0) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. Finally, while the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.« less

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces

NASA Astrophysics Data System (ADS)

Gruber, J.; Zhou, X. W.; Jones, R. E.; Lee, S. R.; Tucker, G. J.

2017-05-01

We investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and ( 11 2 ¯ 0 ) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T*m(x) ≤ 0.90], where T*m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar ( 11 2 ¯ 0 ) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. While the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces.

PubMed

Gruber, J; Zhou, X W; Jones, R E; Lee, S R; Tucker, G J

2017-05-21

We investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and ([Formula: see text]) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of In x Ga 1-x N-alloy compositions (0 ≤  x  ≤ 0.4) and homologous growth temperatures [0.50 ≤  T/T * m ( x ) ≤ 0.90], where T * m ( x ) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar ([Formula: see text]) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. While the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.

Quantum-mechanical analysis of the energetic contributions to π stacking in nucleic acids versus rise, twist, and slide.

PubMed

Parker, Trent M; Hohenstein, Edward G; Parrish, Robert M; Hud, Nicholas V; Sherrill, C David

2013-01-30

Symmetry-adapted perturbation theory (SAPT) is applied to pairs of hydrogen-bonded nucleobases to obtain the energetic components of base stacking (electrostatic, exchange-repulsion, induction/polarization, and London dispersion interactions) and how they vary as a function of the helical parameters Rise, Twist, and Slide. Computed average values of Rise and Twist agree well with experimental data for B-form DNA from the Nucleic Acids Database, even though the model computations omitted the backbone atoms (suggesting that the backbone in B-form DNA is compatible with having the bases adopt their ideal stacking geometries). London dispersion forces are the most important attractive component in base stacking, followed by electrostatic interactions. At values of Rise typical of those in DNA (3.36 Å), the electrostatic contribution is nearly always attractive, providing further evidence for the importance of charge-penetration effects in π-π interactions (a term neglected in classical force fields). Comparison of the computed stacking energies with those from model complexes made of the "parent" nucleobases purine and 2-pyrimidone indicates that chemical substituents in DNA and RNA account for 20-40% of the base-stacking energy. A lack of correspondence between the SAPT results and experiment for Slide in RNA base-pair steps suggests that the backbone plays a larger role in determining stacking geometries in RNA than in B-form DNA. In comparisons of base-pair steps with thymine versus uracil, the thymine methyl group tends to enhance the strength of the stacking interaction through a combination of dispersion and electrosatic interactions.

Dry matter losses and quality changes during short rotation coppice willow storage in chip or rod form.

PubMed

Whittaker, Carly; Yates, Nicola E; Powers, Stephen J; Misselbrook, Tom; Shield, Ian

2018-05-01

This study compares dry matter losses and quality changes during the storage of SRC willow as chips and as rods. A wood chip stack consisting of approximately 74 tonnes of fresh biomass, or 31 tonnes dry matter (DM) was built after harvesting in the spring. Three weeks later, four smaller stacks of rods with an average weight of 0.8 tonnes, or 0.4 tonnes DM were built. During the course of the experiment temperature recorders placed in the stacks found that the wood chip pile reached 60 °C within 10 days of construction, but the piles of rods remained mostly at ambient temperatures. Dry matter losses were calculated by using pre-weighed independent samples within the stacks and by weighing the whole stack before and after storage. After 6 months the wood chip stack showed a DM loss of between 19.8 and 22.6%, and mean losses of 23.1% were measured from the 17 independent samples. In comparison, the rod stacks showed an average stack DM loss of between 0 and 9%, and between 1.4% and 10.6% loss from the independent samples. Analysis of the stored material suggests that storing willow in small piles of rods produces a higher quality fuel in terms of lower moisture and ash content; however, it has a higher fine content compared to storage in chip form. Therefore, according to the two storage methods tested here, there may be a compromise between maximising the net dry matter yield from SRC willow and the final fine content of the fuel.

Managing multiple image stacks from confocal laser scanning microscopy

NASA Astrophysics Data System (ADS)

Zerbe, Joerg; Goetze, Christian H.; Zuschratter, Werner

1999-05-01

A major goal in neuroanatomy is to obtain precise information about the functional organization of neuronal assemblies and their interconnections. Therefore, the analysis of histological sections frequently requires high resolution images in combination with an overview about the structure. To overcome this conflict we have previously introduced a software for the automatic acquisition of multiple image stacks (3D-MISA) in confocal laser scanning microscopy. Here, we describe a Windows NT based software for fast and easy navigation through the multiple images stacks (MIS-browser), the visualization of individual channels and layers and the selection of user defined subregions. In addition, the MIS browser provides useful tools for the visualization and evaluation of the datavolume, as for instance brightness and contrast corrections of individual layers and channels. Moreover, it includes a maximum intensity projection, panning and zoom in/out functions within selected channels or focal planes (x/y) and tracking along the z-axis. The import module accepts any tiff-format and reconstructs the original image arrangement after the user has defined the sequence of images in x/y and z and the number of channels. The implemented export module allows storage of user defined subregions (new single image stacks) for further 3D-reconstruction and evaluation.

Effect of dislocation pile-up on size-dependent yield strength in finite single-crystal micro-samples

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

Pan, Bo; Shibutani, Yoji, E-mail: sibutani@mech.eng.osaka-u.ac.jp; Zhang, Xu

2015-07-07

Recent research has explained that the steeply increasing yield strength in metals depends on decreasing sample size. In this work, we derive a statistical physical model of the yield strength of finite single-crystal micro-pillars that depends on single-ended dislocation pile-up inside the micro-pillars. We show that this size effect can be explained almost completely by considering the stochastic lengths of the dislocation source and the dislocation pile-up length in the single-crystal micro-pillars. The Hall–Petch-type relation holds even in a microscale single-crystal, which is characterized by its dislocation source lengths. Our quantitative conclusions suggest that the number of dislocation sources andmore » pile-ups are significant factors for the size effect. They also indicate that starvation of dislocation sources is another reason for the size effect. Moreover, we investigated the explicit relationship between the stacking fault energy and the dislocation “pile-up” effect inside the sample: materials with low stacking fault energy exhibit an obvious dislocation pile-up effect. Our proposed physical model predicts a sample strength that agrees well with experimental data, and our model can give a more precise prediction than the current single arm source model, especially for materials with low stacking fault energy.« less

Spectral-spatial classification of hyperspectral data with mutual information based segmented stacked autoencoder approach

NASA Astrophysics Data System (ADS)

Paul, Subir; Nagesh Kumar, D.

2018-04-01

Hyperspectral (HS) data comprises of continuous spectral responses of hundreds of narrow spectral bands with very fine spectral resolution or bandwidth, which offer feature identification and classification with high accuracy. In the present study, Mutual Information (MI) based Segmented Stacked Autoencoder (S-SAE) approach for spectral-spatial classification of the HS data is proposed to reduce the complexity and computational time compared to Stacked Autoencoder (SAE) based feature extraction. A non-parametric dependency measure (MI) based spectral segmentation is proposed instead of linear and parametric dependency measure to take care of both linear and nonlinear inter-band dependency for spectral segmentation of the HS bands. Then morphological profiles are created corresponding to segmented spectral features to assimilate the spatial information in the spectral-spatial classification approach. Two non-parametric classifiers, Support Vector Machine (SVM) with Gaussian kernel and Random Forest (RF) are used for classification of the three most popularly used HS datasets. Results of the numerical experiments carried out in this study have shown that SVM with a Gaussian kernel is providing better results for the Pavia University and Botswana datasets whereas RF is performing better for Indian Pines dataset. The experiments performed with the proposed methodology provide encouraging results compared to numerous existing approaches.

The anatomy of a major late-stage thrust and implications for models of late-stage collisional orogenesis in the Caledonian crust of northern Scandinavia

NASA Astrophysics Data System (ADS)

Anderson, Mark; Hames, Willis; Stokes, Alison

2010-05-01

Within the stack of Caledonian crystalline thrust sheets of northern Scandinavia, a single amphibolite facies lithotectonic unit, the Småtinden nappe, is identified as a major, basement-coupled ("stretching") shear zone. This dominantly pelitic unit achieved peak metamorphic conditions of 535-550°C and 8-9kbars, and the stretching geometry suggests that this most likely occurred in response to overthrusting of a hot, pre-assembled Caledonian thrust stack. Along-strike variations in microstructural geometries and patterns of mineral zoning in widely developed porphyroblast phases suggest, however, subsequent strain partitioning within the zone during late-stage decoupling of the thrust stack from the basement along major out-of-sequence thrusts. Large parts of the nappe are characterised by relatively late, static growth preserving concordant Si-Se relationships, and typically symmetrical external fabrics consistent with formation under dominantly pure shear conditions. In the Salangen area, however, the nappe is characterised by early garnet growth, with discordant Si-Se relationships and asymmetric external fabric geometries consistent with formation during ESE-directed simple shear. Remarkably consistent thermometric estimates from chlorites in both regimes (post- and syn-shearing) suggest that out-of-sequence ramping occurred at temperatures in the range 370-400 ̊C, within the typical range of blocking temperatures for argon retention in muscovite. 40Ar-39Ar dating of muscovites from S-C fabrics in the out-of-sequence shear zone suggest that late-stage thrusting occurred during the middle-late Devonian (ca. 395-375 Ma). Hanging-wall and footwall geometries coupled with these radiometric dates indicate that the development of these late thrusts closely relates to reactivation of pre-Caledonian Baltic basement during the Devonian (400-370 Ma). East-west contraction during the upper end of this time frame is peculiar considering that this was the period of large magnitude and rapid extension in western Norway.

Kinetics and thermodynamics of exonuclease-deficient DNA polymerases

NASA Astrophysics Data System (ADS)

Gaspard, Pierre

2016-04-01

A kinetic theory is developed for exonuclease-deficient DNA polymerases, based on the experimental observation that the rates depend not only on the newly incorporated nucleotide, but also on the previous one, leading to the growth of Markovian DNA sequences from a Bernoullian template. The dependencies on nucleotide concentrations and template sequence are explicitly taken into account. In this framework, the kinetic and thermodynamic properties of DNA replication, in particular, the mean growth velocity, the error probability, and the entropy production are calculated analytically in terms of the rate constants and the concentrations. Theory is compared with numerical simulations for the DNA polymerases of T7 viruses and human mitochondria.

The barium iron ruthenium oxide system

NASA Technical Reports Server (NTRS)

Kemmler-Sack, S.; Ehmann, A.

1986-01-01

In the system BaFe(1-x)Ru(x)O(3-y), three phases, separated by immiscibility gaps, are present: an Fe-rich phase (x = 0 to 0.75) with hexagonal BaTiO3 structure (6H; sequence (hcc)2), a Ru-rich phase (x = 0.9) of hexagonal 4H-type (sequence (hc)2), and the pure Ru compounds BaRuO3 with rhombohedral 9R structure (sequence (hhc)3). By vibrational spectroscopic investigations in the 6H phase a transition from n-type semiconduction (Fe-rich compounds with complete O lattice) can be detected. The 4H and 9R stacking polytypes are good, metal-like conductors. The lattice parameters are given.

Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation.

PubMed

Yamakov, V; Wolf, D; Phillpot, S R; Mukherjee, A K; Gleiter, H

2004-01-01

Molecular-dynamics simulations have recently been used to elucidate the transition with decreasing grain size from a dislocation-based to a grain-boundary-based deformation mechanism in nanocrystalline f.c.c. metals. This transition in the deformation mechanism results in a maximum yield strength at a grain size (the 'strongest size') that depends strongly on the stacking-fault energy, the elastic properties of the metal, and the magnitude of the applied stress. Here, by exploring the role of the stacking-fault energy in this crossover, we elucidate how the size of the extended dislocations nucleated from the grain boundaries affects the mechanical behaviour. Building on the fundamental physics of deformation as exposed by these simulations, we propose a two-dimensional stress-grain size deformation-mechanism map for the mechanical behaviour of nanocrystalline f.c.c. metals at low temperature. The map captures this transition in both the deformation mechanism and the related mechanical behaviour with decreasing grain size, as well as its dependence on the stacking-fault energy, the elastic properties of the material, and the applied stress level.

Buckling-dependent switching behaviours in shifted bilayer germanene nanoribbons: A computational study

NASA Astrophysics Data System (ADS)

Arjmand, T.; Tagani, M. Bagheri; Soleimani, H. Rahimpour

2018-01-01

Bilayer germanene nanoribbons are investigated in different stacks like buckled and flat armchair and buckled zigzag germanene nanoribbons by performing theoretical calculations using the nonequilibrium Greens function method combined with density functional theory. In these bilayer types, the current oscillates with change of interlayer distances or intra-layer overlaps and is dependent on the type of the bilayer. Band gap of AA-stacked of shifted flat bilayer armchair germanene nanoribbon oscillates by change of interlayer distance which is in contrast to buckled bilayer armchair germanene nanoribbon. So, results show the buckling makes system tend to be a semiconductor with wide band gap. Therefore, AA-stacked of shifted flat bilayer armchair germanene nanoribbon has properties between zigzag and armchair edges, the higher current under bias voltages similar to zigzag edge and also oscillations in current like buckled armchair edges. Also, it is found that HOMO-LUMO band gap strongly affects oscillation in currents and their I-V characteristic. This kind of junction improves the switching properties at low voltages around the band gap.

Disorder-controlled superconductivity at YBa2Cu3O7/SrTiO3 interfaces

NASA Astrophysics Data System (ADS)

Garcia-Barriocanal, J.; Perez-Muñoz, A. M.; Sefrioui, Z.; Arias, D.; Varela, M.; Leon, C.; Pennycook, S. J.; Santamaria, J.

2013-06-01

We examine the effect of interface disorder in suppressing superconductivity in coherently grown ultrathin YBa2Cu3O7 (YBCO) layers on SrTiO3 (STO) in YBCO/STO superlattices. The termination plane of the STO is TiO2 and the CuO chains are missing at the interface. Disorder (steps) at the STO interface cause alterations of the stacking sequence of the intracell YBCO atomic layers. Stacking faults give rise to antiphase boundaries which break the continuity of the CuO2 planes and depress superconductivity. We show that superconductivity is directly controlled by interface disorder outlining the importance of pair breaking and localization by disorder in ultrathin layers.

Generalized Mulliken-Hush analysis of electronic coupling interactions in compressed pi-stacked porphyrin-bridge-quinone systems.

PubMed

Zheng, Jieru; Kang, Youn K; Therien, Michael J; Beratan, David N

2005-08-17

Donor-acceptor interactions were investigated in a series of unusually rigid, cofacially compressed pi-stacked porphyrin-bridge-quinone systems. The two-state generalized Mulliken-Hush (GMH) approach was used to compute the coupling matrix elements. The theoretical coupling values evaluated with the GMH method were obtained from configuration interaction calculations using the INDO/S method. The results of this analysis are consistent with the comparatively soft distance dependences observed for both the charge separation and charge recombination reactions. Theoretical studies of model structures indicate that the phenyl units dominate the mediation of the donor-acceptor coupling and that the relatively weak exponential decay of rate with distance arises from the compression of this pi-electron stack.

Production of Supra-regular Spatial Sequences by Macaque Monkeys.

PubMed

Jiang, Xinjian; Long, Tenghai; Cao, Weicong; Li, Junru; Dehaene, Stanislas; Wang, Liping

2018-06-18

Understanding and producing embedded sequences in language, music, or mathematics, is a central characteristic of our species. These domains are hypothesized to involve a human-specific competence for supra-regular grammars, which can generate embedded sequences that go beyond the regular sequences engendered by finite-state automata. However, is this capacity truly unique to humans? Using a production task, we show that macaque monkeys can be trained to produce time-symmetrical embedded spatial sequences whose formal description requires supra-regular grammars or, equivalently, a push-down stack automaton. Monkeys spontaneously generalized the learned grammar to novel sequences, including longer ones, and could generate hierarchical sequences formed by an embedding of two levels of abstract rules. Compared to monkeys, however, preschool children learned the grammars much faster using a chunking strategy. While supra-regular grammars are accessible to nonhuman primates through extensive training, human uniqueness may lie in the speed and learning strategy with which they are acquired. Copyright © 2018 Elsevier Ltd. All rights reserved.

Spam comments prediction using stacking with ensemble learning

NASA Astrophysics Data System (ADS)

Mehmood, Arif; On, Byung-Won; Lee, Ingyu; Ashraf, Imran; Choi, Gyu Sang

2018-01-01

Illusive comments of product or services are misleading for people in decision making. The current methodologies to predict deceptive comments are concerned for feature designing with single training model. Indigenous features have ability to show some linguistic phenomena but are hard to reveal the latent semantic meaning of the comments. We propose a prediction model on general features of documents using stacking with ensemble learning. Term Frequency/Inverse Document Frequency (TF/IDF) features are inputs to stacking of Random Forest and Gradient Boosted Trees and the outputs of the base learners are encapsulated with decision tree to make final training of the model. The results exhibits that our approach gives the accuracy of 92.19% which outperform the state-of-the-art method.

Compression failure of fibrous laminated composites in the presence of stress gradients : experiment and analysis

NASA Astrophysics Data System (ADS)

Waas, Anthony M.

A series of experiments were performed to determine the mechanism of failure in compressively loaded laminated plates in the presence of stress gradients generated by a circular cutout. Real time holographic interferometry and in-situ photomicrography of the hole surface, were used to observe the progression of failure.The test specimens are multi-layered composite flat plates, which are loaded in compression. The plates are made of two material systems, T300/BP907 and IM7/8551-7. Two different lay-ups of T300/BP907 and four different lay-ups of IM7/8551-7 are investigated.The load on the specimen is slowly increased and a series of interferograms are produced during the load cycle. These interferograms are video-recorded. The results obtained from the interferograms and photo-micrographs are substantiated by sectioning studies and ultrasonic C-scanning of some specimens which are unloaded prior to catastrophic failure, but beyond failure initiation. This is made possible by the servo-controlled loading mechanism that regulates the load application and offers the flexibility of unloading a specimen at any given instance in the loadtime history.An underlying objective of the present investigation is the identification of the physics of the failure initiation process. This required testing specimens with different stacking sequences, for a fixed hole diameter, so that consistent trends in the failure process could be identified.It is revealed that the failure is initiated as a localized instability in the 0? plies at the hole surface, approximately at right angles to the loading direction. This instability emanating at the hole edge and propagating into the interior of the specimen within the 0? plies is found to be fiber microbuckling. The microbuckling is found to occur at a local strain level of [...]8600 [mu]strain at the hole edge for the IM material system. This initial failure renders a narrow zone of fibers within the 0? plies to loose structural integrity. Subsequent to the 0?-ply failure, extensive delamination cracking is observed with increasing load. The through thickness location of these delaminations is found to depend on the position of the 0? plies.The delaminated portions spread to the undamaged areas of the laminate by a combination of delamination buckling and growth, the buckling further enhancing the growth. When the delaminated area reaches a critical size, about 75-100% of the hole radius in extent, an accelerated growth rate of the delaminated portions is observed. The culmination of this last event is the complete loss of flexural stiffness of each of the delaminated portions leading to catastrophic failure of the plate. The levels of applied load and the rate at which these events occur depend on the plate stacking sequence.A simple mechanical model is presented for the microbuckling problem. This model addresses the buckling instability of a semi-infinte layered half-plane alternatingly stacked with fibers and matrix, loaded parallel to the surface of the half-plane. The fibers are modelled using Bernoulli-Navier beam theory, and the matrix is assumed to be a linearly elastic foundation. The predicted buckling strains are found to overestimate the experimental result. However, the dependence of the buckling strain on parameters such as the fiber volume fraction, ratio of Youngs moduli of the constituents and Poisson's ratio of the matrix are obtained from the analysis. It is seen that a high fiber volume fraction, increased matrix stiffness, and perfect bonding between fiber and matrix are desirable properties for increasing the compressive strength.

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

Wang, Yujie; Gong, Sha; Wang, Zhen

The thermodynamic and kinetic parameters of an RNA base pair were obtained through a long-time molecular dynamics simulation of the opening-closing switch process of the base pair near its melting temperature. The thermodynamic parameters were in good agreement with the nearest-neighbor model. The opening rates showed strong temperature dependence, however, the closing rates showed only weak temperature dependence. The transition path time was weakly temperature dependent and was insensitive to the energy barrier. The diffusion constant exhibited super-Arrhenius behavior. The free energy barrier of breaking a single base stack results from the enthalpy increase, ΔH, caused by the disruption ofmore » hydrogen bonding and base-stacking interactions. The free energy barrier of base pair closing comes from the unfavorable entropy loss, ΔS, caused by the restriction of torsional angles. These results suggest that a one-dimensional free energy surface is sufficient to accurately describe the dynamics of base pair opening and closing, and the dynamics are Brownian.« less

Interaction of highly charged ions with carbon nano membranes

NASA Astrophysics Data System (ADS)

Gruber, Elisabeth; Wilhelm, Richard A.; Smejkal, Valerie; Heller, René; Facsko, Stefan; Aumayr, Friedrich

2015-09-01

Charge state and energy loss measurements of slow highly charged ions (HCIs) after transmission through nanometer and sub-nanometer thin membranes are presented. Direct transmission measurements through carbon nano membranes (CNMs) show an unexpected bimodal exit charge state distribution, accompanied by charge exchange dependent energy loss. The energy loss of ions in CNMs with large charge loss shows a quadratic dependency on the incident charge state, indicating charge state dependent stopping force values. Another access to the exit charge state distribution is given by irradiating stacks of CNMs and investigating each layer of the stack with high resolution imaging techniques like transmission electron microscopy (TEM) and helium ion microscopy (HIM) independently. The observation of pores created in all of the layers confirms the assumption derived from the transmission measurements that the two separated charge state distributions reflect two different impact parameter regimes, i.e. close collision with large charge exchange and distant collisions with weak ion-target interaction.

Magneto-optical fingerprints of distinct graphene multilayers using the giant infrared Kerr effect

NASA Astrophysics Data System (ADS)

Ellis, Chase T.; Stier, Andreas V.; Kim, Myoung-Hwan; Tischler, Joseph G.; Glaser, Evan R.; Myers-Ward, Rachael L.; Tedesco, Joseph L.; Eddy, Charles R.; Gaskill, D. Kurt; Cerne, John

2013-11-01

The remarkable electronic properties of graphene strongly depend on the thickness and geometry of graphene stacks. This wide range of electronic tunability is of fundamental interest and has many applications in newly proposed devices. Using the mid-infrared, magneto-optical Kerr effect, we detect and identify over 18 interband cyclotron resonances (CR) that are associated with ABA and ABC stacked multilayers as well as monolayers that coexist in graphene that is epitaxially grown on 4H-SiC. Moreover, the magnetic field and photon energy dependence of these features enable us to explore the band structure, electron-hole band asymmetries, and mechanisms that activate a CR response in the Kerr effect for various multilayers that coexist in a single sample. Surprisingly, we find that the magnitude of monolayer Kerr effect CRs is not temperature dependent. This unexpected result reveals new questions about the underlying physics that makes such an effect possible.

The First Radiocarbon-Constrained Full-Vector Holocene Paleomagnetic Secular Variation Reconstruction for Eastern Canada

NASA Astrophysics Data System (ADS)

Barletta, F.; St-Onge, G.; Stoner, J.; Lajeunesse, P.

2009-05-01

Here we present the first high-resolution Holocene paleomagnetic secular variation (PSV) master curve and relative paleointensity stack constrained by radiocarbon dates for Eastern Canada. This reconstruction is based on seven sedimentary sequences collected from the St. Lawrence Estuary and Gulf from the head to the mouth of the Laurentian Channel. The natural remanent magnetization (NRM), the anhysteretic remanent magnetization (ARM) and the isothermal remanent magnetization (IRM) were measured on u-channel samples at the Paleomagnetism Laboratory of ISMER using a 2G Enterprises cryogenic magnetometer. Magnetic mineralogy was additionally assessed using a recently installed alternative gradient force magnetometer (AGM). The magnetic mineralogy of the Holocene postglacial sediments is mainly carried by low-coercivity ferrimagnetic minerals (most likely magnetite) in the pseudo-single domain size range. The characteristic remanent magnetization (ChRM), assessed by principal component analysis, reveals the presence of a stable and well-defined magnetization characterized by maximum angular deviation (MAD) values generally lower than 5°. Furthermore, ChRM inclinations fluctuate around the expected geocentric axial dipole (GAD) magnetic inclination for the latitude of the coring sites (from 63° to 66°). The similarity of these records on their own independent timescales implies that all of the individual sedimentary sequences record a reliable Holocene PSV record for Eastern Canada. Relative paleointensity (RPI) was estimated by normalizing the NRM by the ARM which provided the best coercivity match. Lastly, the paleomagnetic directional and RPI records were stacked on a common time scale spanning the last ~10 000 cal BP. The smoothed PSV stack reveal centennial- to millennial-scale geomagnetic features concordant with the CALS7K.2 time-varying spherical harmonic model, as well as with the US eastern stack (King and Peck, 2001). Comparisons further a field with the Fish Lake record from Oregon (Verosub et al., 1996), the Icelandic and E. Greenland continental margin records (Stoner et al., 2007) and the Fennoscandia stack (Snowball et al., 2007) suggest large scale coherence of geomagnetic features. These and other comparisons will be made. In conclusion, the full-vector Holocene PSV and RPI master curves from Eastern Canada provide a new high-resolution regional chronostratigraphic tool as well as new insights into the Holocene geomagnetic field behaviour.

VizieR Online Data Catalog: S4G disk galaxies stellar mass distribution (Diaz-Garcia+, 2016)

NASA Astrophysics Data System (ADS)

Diaz-Garcia, S.; Salo, H.; Laurikainen, E.

2016-08-01

We provide the tabulated radial profiles of mean stellar mass density in bins of total stellar mass (M*, from Munoz-Mateos et al., 2015ApJS..219....3M) and Hubble stage (T, from Buta et al., 2015, Cat. J/ApJS/217/32). We used the 3.6um imaging for the non-highly inclined galaxies (i<65° in Salo et al., 2015, Cat. J/ApJS/219/4) in the Spitzer Survey of Stellar Structure in Galaxies (Sheth et al., 2010, Cat. J/PASP/122/1397). We also provide the averaged stellar contribution to the circular velocity, computed from the radial force profiles of individual galaxies (from Diaz-Garcia et al., 2016A&A...587A.160D). Besides, we provide the FITS files of the bar synthetic images (2D) obtained by stacking images rescaled to a common frame determined by the bar parameters (from Herrera-Endoqui et al., 2015A&A...582A..86H) in bins of M*, T, and galaxy family (from Buta et al. 2015). For the bar stacks, we also tabulate the azimuthally averaged luminosity profiles, the tangential-to-radial forces (Qt), the m=2,4 Fourier amplitudes (A2,A4), and the radial profiles of ellipticity and b4 parameter. The fits files (.fit) of the bar stacks, in units of flux (MJy/sr). The pixel size is 0.02 x rbar, where rbar refers to the bar radius. The images are cut at a radius of 3 x rbar. In every folder, the terminology used to label the ".dat" and ".fit" files, in relation to their content, is the following: a) The term "starmass" is used when the binning of the sample was based on the total stellar mass of the galaxy, from Munoz-Mateos et al. (2015ApJS..219....3M). We indicate the common logarithm of the boundaries: (8.5,9.9.5,10,10.5,11). b) The term "ttype" is used when the binning of the sample was based on the Hubble stage of the galaxy (-3,0,3,5,8,11), from Buta et al. (2015, Cat. J/ApJS/217/32) c) The term "family" is used when the binning of the sample was based on the morphological family of the galaxy (AB,AB,AB,B), from Buta et al. (2015, Cat. J/ApJS/217/32). d) The term "hr" is used when the 1-D luminosity stacks were obtained in a common frame determined by the scalelength of the disks (from Salo et al., 2015, Cat. J/ApJS/219/4). e) The term "kpc" is used when the 1-D luminosity stacks were obtained in a common frame determined by the disk extent in physical units (kpc). f) The term "barred" is used when only barred galaxies are stacked (according to Buta et al., 2015, Cat. J/ApJS/217/32). g) The term "unbarred" is used when only non-barred galaxies are stacked. IDL reading: readcol,'luminositydiskkpc/luminositydiskkpc_*.dat',Radius,$ Steldens,bSteldens,BSteldens,SuBr,bSuBr,BSuBr,Nsample,$ format='F,F,F,F,F,F,F,F',delim=' ' readcol,'luminositydiskhr/luminositydiskhr_*.dat',Radius,$ Steldens,bSteldens,BSteldens,SuBr,bSuBr,BSuB,Nsample,$ format='F,F,F,F,F,F,F,F',delim=' ' readcol,'vrotdiskkpc/vrotdiskkpc_*.dat',Radius,Vrotmean,$ Vrotmedian,Sigma,Nsample,format='F,F,F,F,F',delim=' ' readcol,'vrotdiskhr/vrotdiskhr_*.dat',Radius,Vrotmean,Vrotmedian,$ Sigma,Nsample,format='F,F,F,F,F',delim=' ' readcol,'luminositybar/barsradialluminosity*.dat',Radius,$ Steldens,SuBr,format='F,F,F',delim=' ' readcol,'forceprofbar/barsradialforces_*.dat',Radius,Qt,A2,A4,$ format='F,F,F,F',delim=' ' readcol,'ellipseprofbar/barsradialellipse_*.dat',Radius,ellipticity,b4,$ format='F,F,F',delim=' ' fitsread,'barstackfits/barstack_*.fit',image (10 data files).

Structural Insights into the Quadruplex-Duplex 3' Interface Formed from a Telomeric Repeat: A Potential Molecular Target.

PubMed

Russo Krauss, Irene; Ramaswamy, Sneha; Neidle, Stephen; Haider, Shozeb; Parkinson, Gary N

2016-02-03

We report here on an X-ray crystallographic and molecular modeling investigation into the complex 3' interface formed between putative parallel stranded G-quadruplexes and a duplex DNA sequence constructed from the human telomeric repeat sequence TTAGGG. Our crystallographic approach provides a detailed snapshot of a telomeric 3' quadruplex-duplex junction: a junction that appears to have the potential to form a unique molecular target for small molecule binding and interference with telomere-related functions. This unique target is particularly relevant as current high-affinity compounds that bind putative G-quadruplex forming sequences only rarely have a high degree of selectivity for a particular quadruplex. Here DNA junctions were assembled using different putative quadruplex-forming scaffolds linked at the 3' end to a telomeric duplex sequence and annealed to a complementary strand. We successfully generated a series of G-quadruplex-duplex containing crystals, both alone and in the presence of ligands. The structures demonstrate the formation of a parallel folded G-quadruplex and a B-form duplex DNA stacked coaxially. Most strikingly, structural data reveals the consistent formation of a TAT triad platform between the two motifs. This triad allows for a continuous stack of bases to link the quadruplex motif with the duplex region. For these crystal structures formed in the absence of ligands, the TAT triad interface occludes ligand binding at the 3' quadruplex-duplex interface, in agreement with in silico docking predictions. However, with the rearrangement of a single nucleotide, a stable pocket can be produced, thus providing an opportunity for the binding of selective molecules at the interface.

Decay characteristics of electroadhesive forces by periodic electrodes in dielectric layers

NASA Astrophysics Data System (ADS)

Lee, Junseok; Cha, Youngsu

2017-07-01

Electroadhesive force is the force generated by induced dipoles in the gradient of an electric field. Owing to its benefits of mechanical characteristics and versatility, it is widely used to hold and manipulate objects in robotic applications. So far, most studies in this field have been focused on the maximization of the magnitude of electroadhesive force. In this paper, we focus on the decay characteristics of electroadhesive force depending on the spatial distance from electrodes to employ the force to precisely separate a single layer from stacked dielectric layers. It turns out that all configurations with periodically repeating electrodes' arrangement, have the same decay characteristics which significantly depend on the geometrical period of the electrode patterns. Also, we find that the other parameters including the applied voltage and geometry of electrodes have little effect on the decay characteristics. The electric potential of an arbitrary electrode configuration is expanded in terms of the Fourier series, and we use it to analytically prove the high dependence of decay characteristics on the geometrical period. Numerical analysis is performed using the finite element method.

Crustal Imaging of the Faroe Islands and North Sea Using Ambient Seismic Noise

NASA Astrophysics Data System (ADS)

Sammarco, C.; Rawlinson, N.; Cornwell, D. G.

2016-12-01

The recent development of ambient seismic noise imaging offers the potential for obtaining detailed seismic models of the crust. Cross-correlation of long-term recordings from station pairs reveals an empirical "Green's function" which is related to the impulse response of the medium between the two stations. Here, we present new results using two different broadband datasets: one that spans the Faroe Islands and another that spans the North Sea. The smaller scale Faroe Islands study was tackled first, because with only 12 stations, it was well suited for the development and testing of a new data processing and inversion workflow. In the Faroe Islands study cross-correlations with high signal-to-noise ratios were obtained by applying phase weighted stacking, which is shown to be a significant improvement over convectional linear stacking. For example, coherent noise concentrated near the zero time lag of the linearly stacked cross correlations appears to have an influence on the dispersion characteristics beyond 10 s period, but we have managed to minimize these effects with phase weighted stacking. We obtain group velocity maps from 0.5s to 15s period by inverting inter-station travel times using an iterative non-linear inversion scheme. It reveals the presence of significant lateral heterogeneity in the mid-upper crust, including evidence of a low velocity zone in the upper crust, which may mark the base of the basalt layer. This is most clearly revealed by taking the average group velocity dispersion curve for all station pairs and inverting for 1-D shear wave velocity. The computation of a 3-D shear wave speed model both verifies and adds further detail to these results. Application to the North Sea dataset was challenging due to the highly attenuative nature of the crust in this region, which has previously been observed to dramatically reduce the signal-to-noise ratio of short period surface waves. However, with the help of phase-weighted stacking good quality empirical Green's functions can be retrieved for this large dataset. Both group and phase velocity dispersion information are extracted from the cross-correlations, which are then inverted to produce period-dependent velocity maps. The next stage is to invert these maps for 3-D shear wave velocity structure beneath the North Sea region.

Build loyalty in business markets.

PubMed

Narayandas, Das

2005-09-01

Companies often apply consumer marketing solutions in business markets without realizing that such strategies only hamper the acquisition and retention of profitable customers. Unlike consumers, business customers inevitably need customized products, quantities, or prices. A company in a business market must therefore manage customers individually, showing how its products or services can help solve each buyer's problems. And it must learn to reap the enormous benefits of loyalty by developing individual relationships with customers. To achieve these ends, the firm's marketers must become aware of the different types of benefits the company offers and convey their value to the appropriate executives in the customer company. It's especially important to inform customers about what the author calls nontangible nonfinancial benefits-above-and-beyond efforts, such as delivering supplies on holidays to keep customers' production lines going. The author has developed a simple set of devices-the benefit stack and the decision-maker stack-to help marketers communicate their firm's myriad benefits. The vendor lists the benefits it offers, then lists the customer's decision makers, specifying their concerns, motivations, and power bases. By linking the two stacks, the vendor can systematically communicate how it will meet each decision-maker's needs. The author has also developed a tool called a loyalty ladder, which helps a company determine how much time and money to spend on relationships with various customers. As customers become increasingly loyal, they display behaviors in a predictable sequence, from growing the relationship and providing word-of-mouth endorsements to investing in the vendor company. The author has found that customers follow the same sequence of loyalty behaviors in all business markets.

Stratigraphy and Facies of Cretaceous Schrader Bluff and Prince Creek Formations in Colville River Bluffs, North Slope, Alaska

USGS Publications Warehouse

Flores, Romeo M.; Myers, Mark D.; Houseknecht, David W.; Stricker, Gary D.; Brizzolara, Donald W.; Ryherd, Timothy J.; Takahashi, Kenneth I.

2007-01-01

Stratigraphic and sedimentologic studies of facies of the Upper Cretaceous rocks along the Colville River Bluffs in the west-central North Slope of Alaska identified barrier shoreface deposits consisting of vertically stacked, coarsening-upward parasequences in the Schrader Bluff Formation. This vertical stack of parasequence deposits represents progradational sequences that were affected by shoaling and deepening cycles caused by fluctuations of sea level. Further, the vertical stack may have served to stabilize accumulation of voluminous coal deposits in the Prince Creek Formation, which formed braided, high-sinuosity meandering, anastomosed, and low-sinuosity meandering fluvial channels and related flood plain deposits. The erosional contact at the top of the uppermost coarsening-upward sequence, however, suggests a significant drop of base level (relative sea level) that permitted a semiregional subaerial unconformity to develop at the contact between the Schrader Bluff and Prince Creek Formations. This drop of relative sea level may have been followed by a relative sea-level rise to accommodate coal deposition directly above the unconformity. This rise was followed by a second drop of relative sea level, with formation of incised valley topography as much as 75 ft deep and an equivalent surface of a major marine erosion or mass wasting, or both, either of which can be traced from the Colville River Bluffs basinward to the subsurface in the west-central North Slope. The Prince Creek fluvial deposits represent late Campanian to late Maastrichtian depositional environments that were affected by these base level changes influenced by tectonism, basin subsidence, and sea-level fluctuations.

Ultrafast Exciton Delocalization, Localization, and Excimer Formation Dynamics in a Highly Defined Perylene Bisimide Quadruple π-Stack.

PubMed

Kaufmann, Christina; Kim, Woojae; Nowak-Król, Agnieszka; Hong, Yongseok; Kim, Dongho; Würthner, Frank

2018-03-28

An adequately designed, bay-tethered perylene bisimide (PBI) dimer Bis-PBI was synthesized by Pd/Cu-catalyzed Glaser-type oxidative homocoupling of the respective PBI building block. This newly synthesized PBI dimer self-assembles exclusively and with high binding constants of up to 10 6 M -1 into a discrete π-stack of four chromophores. Steady-state absorption and emission spectra show the signatures of H-type excitonic coupling among the dye units. Broadband fluorescence upconversion spectroscopy (FLUPS) reveals an ultrafast dynamics in the optically excited state. An initially coherent Frenkel exciton state that is delocalized over the whole quadruple stack rapidly (τ = ∼200 fs) loses its coherence and relaxes into an excimer state. Comparison with Frenkel exciton dynamics in PBI dimeric and oligomeric H-aggregates demonstrates that in the quadruple stack coherent exciton propagation is absent due to its short length of aggregates, thereby it has only one relaxation pathway to the excimer state. Furthermore, the absence of pump-power dependence in transient absorption experiments suggests that multiexciton cannot be generated in the quadruple stack, which is in line with time-resolved fluorescence measurements.

Optimal digital dynamical decoupling for general decoherence via Walsh modulation

NASA Astrophysics Data System (ADS)

Qi, Haoyu; Dowling, Jonathan P.; Viola, Lorenza

2017-11-01

We provide a general framework for constructing digital dynamical decoupling sequences based on Walsh modulation—applicable to arbitrary qubit decoherence scenarios. By establishing equivalence between decoupling design based on Walsh functions and on concatenated projections, we identify a family of optimal Walsh sequences, which can be exponentially more efficient, in terms of the required total pulse number, for fixed cancellation order, than known digital sequences based on concatenated design. Optimal sequences for a given cancellation order are highly non-unique—their performance depending sensitively on the control path. We provide an analytic upper bound to the achievable decoupling error and show how sequences within the optimal Walsh family can substantially outperform concatenated decoupling in principle, while respecting realistic timing constraints.

Fatigue responses of lead zirconate titanate stacks under semibipolar electric cycling with mechanical preload

NASA Astrophysics Data System (ADS)

Wang, Hong; Cooper, Thomas A.; Lin, Hua-Tay; Wereszczak, Andrew A.

2010-10-01

Lead zirconate titanate (PZT) stacks that had an interdigital internal electrode configuration were tested to more than 108 cycles. A 100 Hz semibipolar sine wave with a field range of +4.5/-0.9 kV/mm was used in cycling with a concurrently-applied 20 MPa preload. Significant reductions in piezoelectric and dielectric responses were observed during the cycling depending on the measuring condition. Extensive partial discharges were also observed. These surface events resulted in the erosion of external electrode and the exposure of internal electrodes. Sections prepared by sequential polishing technique revealed a variety of damage mechanisms including delaminations, pores, and etch grooves. The scale of damage was correlated with the degree of fatigue-induced reduction in piezoelectric and dielectric responses. The results from this study demonstrate the feasibility of using a semibipolar mode to drive a PZT stack under a mechanical preload and illustrate the potential fatigue and damages of the stack in service.

Multibands tunneling in AAA-stacked trilayer graphene

NASA Astrophysics Data System (ADS)

Redouani, Ilham; Jellal, Ahmed; Bahaoui, Abdelhadi; Bahlouli, Hocine

2018-04-01

We study the electronic transport through np and npn junctions for AAA-stacked trilayer graphene. Two kinds of gates are considered where the first is a single gate and the second is a double gate. After obtaining the solutions for the energy spectrum, we use the transfer matrix method to determine the three transmission probabilities for each individual cone τ = 0 , ± 1 . We show that the quasiparticles in AAA-stacked trilayer graphene are not only chiral but also labeled by an additional cone index τ. The obtained bands are composed of three Dirac cones that depend on the chirality indexes. We show that there is perfect transmission for normal or near normal incidence, which is a manifestation of the Klein tunneling effect. We analyze also the corresponding total conductance, which is defined as the sum of the conductance channels in each individual cone. Our results are numerically discussed and compared with those obtained for ABA- and ABC-stacked trilayer graphene.

Flexible reusable mandrels

NASA Technical Reports Server (NTRS)

Willden, Kurtis S. (Inventor)

1995-01-01

A reusable laminate mandrel which is unaffected by extreme temperature changes. The flexible laminate mandrel is comprised of sheets stacked to produce the required configuration, a cover wrap that applies pressure to the mandrel laminate, maintaining the stack cross-section. Then after use, the mandrels can be removed, disassembled, and reused. In the method of extracting the flexible mandrel from one end of a composite stiffener, individual ones of the laminae of the flexible mandrel or all are extracted at the same time, depending on severity of the contour.

Sleep and memory consolidation: motor performance and proactive interference effects in sequence learning.

PubMed

Borragán, Guillermo; Urbain, Charline; Schmitz, Rémy; Mary, Alison; Peigneux, Philippe

2015-04-01

That post-training sleep supports the consolidation of sequential motor skills remains debated. Performance improvement and sensitivity to proactive interference are both putative measures of long-term memory consolidation. We tested sleep-dependent memory consolidation for visuo-motor sequence learning using a proactive interference paradigm. Thirty-three young adults were trained on sequence A on Day 1, then had Regular Sleep (RS) or were Sleep Deprived (SD) on the night after learning. After two recovery nights, they were tested on the same sequence A, then had to learn a novel, potentially competing sequence B. We hypothesized that proactive interference effects on sequence B due to the prior learning of sequence A would be higher in the RS condition, considering that proactive interference is an indirect marker of the robustness of sequence A, which should be better consolidated over post-training sleep. Results highlighted sleep-dependent improvement for sequence A, with faster RTs overnight for RS participants only. Moreover, the beneficial impact of sleep was specific to the consolidation of motor but not sequential skills. Proactive interference effects on learning a new material at Day 4 were similar between RS and SD participants. These results suggest that post-training sleep contributes to optimizing motor but not sequential components of performance in visuo-motor sequence learning. Copyright © 2015 Elsevier Inc. All rights reserved.

An experimental investigation on orthogonal cutting of hybrid CFRP/Ti stacks

NASA Astrophysics Data System (ADS)

Xu, Jinyang; El Mansori, Mohamed

2016-10-01

Hybrid CFRP/Ti stack has been widely used in the modern aerospace industry owing to its superior mechanical/physical properties and excellent structural functions. Several applications require mechanical machining of these hybrid composite stacks in order to achieve dimensional accuracy and assembly performance. However, machining of such composite-to-metal alliance is usually an extremely challenging task in the manufacturing sectors due to the disparate natures of each stacked constituent and their respective poor machinability. Special issues may arise from the high force/heat generation, severe subsurface damage and rapid tool wear. To study the fundamental mechanisms controlling the bi-material machining, this paper presented an experimental study on orthogonal cutting of hybrid CFRP/Ti stack by using superior polycrystalline diamond (PCD) tipped tools. The utilized cutting parameters for hybrid CFRP/Ti machining were rigorously adopted through a compromise selection due to the disparate machinability behaviors of the CFRP laminate and Ti alloy. The key cutting responses in terms of cutting force generation, machined surface quality and tool wear mechanism were precisely addressed. The experimental results highlighted the involved five stages of CFRP/Ti cutting and the predominant crater wear and edge fracture failure governing the PCD cutting process.

3D segmentations of neuronal nuclei from confocal microscope image stacks

PubMed Central

LaTorre, Antonio; Alonso-Nanclares, Lidia; Muelas, Santiago; Peña, José-María; DeFelipe, Javier

2013-01-01

In this paper, we present an algorithm to create 3D segmentations of neuronal cells from stacks of previously segmented 2D images. The idea behind this proposal is to provide a general method to reconstruct 3D structures from 2D stacks, regardless of how these 2D stacks have been obtained. The algorithm not only reuses the information obtained in the 2D segmentation, but also attempts to correct some typical mistakes made by the 2D segmentation algorithms (for example, under segmentation of tightly-coupled clusters of cells). We have tested our algorithm in a real scenario—the segmentation of the neuronal nuclei in different layers of the rat cerebral cortex. Several representative images from different layers of the cerebral cortex have been considered and several 2D segmentation algorithms have been compared. Furthermore, the algorithm has also been compared with the traditional 3D Watershed algorithm and the results obtained here show better performance in terms of correctly identified neuronal nuclei. PMID:24409123

3D segmentations of neuronal nuclei from confocal microscope image stacks.

PubMed

Latorre, Antonio; Alonso-Nanclares, Lidia; Muelas, Santiago; Peña, José-María; Defelipe, Javier

2013-01-01

In this paper, we present an algorithm to create 3D segmentations of neuronal cells from stacks of previously segmented 2D images. The idea behind this proposal is to provide a general method to reconstruct 3D structures from 2D stacks, regardless of how these 2D stacks have been obtained. The algorithm not only reuses the information obtained in the 2D segmentation, but also attempts to correct some typical mistakes made by the 2D segmentation algorithms (for example, under segmentation of tightly-coupled clusters of cells). We have tested our algorithm in a real scenario-the segmentation of the neuronal nuclei in different layers of the rat cerebral cortex. Several representative images from different layers of the cerebral cortex have been considered and several 2D segmentation algorithms have been compared. Furthermore, the algorithm has also been compared with the traditional 3D Watershed algorithm and the results obtained here show better performance in terms of correctly identified neuronal nuclei.

Stacking of 2D electron gases in Ge probed at the atomic level and its correlation to low-temperature magnetotransport.

PubMed

Scappucci, G; Klesse, W M; Hamilton, A R; Capellini, G; Jaeger, D L; Bischof, M R; Reidy, R F; Gorman, B P; Simmons, M Y

2012-09-12

Stacking of two-dimensional electron gases (2DEGs) obtained by δ-doping of Ge and patterned by scanning probe lithography is a promising approach to realize ultrascaled 3D epitaxial circuits, where multiple layers of active electronic components are integrated both vertically and horizontally. We use atom probe tomography and magnetotransport to correlate the real space 3D atomic distribution of dopants in the crystal with the quantum correction to the conductivity observed at low temperatures, probing if closely stacked δ-layers in Ge behave as independent 2DEGs. We find that at a separation of 9 nm the stacked-2DEGs, while interacting, still maintain their individuality in terms of electron transport and show long phase coherence lengths (∼220 nm). Strong vertical electron confinement is crucial to this finding, resulting in an interlayer scattering time much longer (∼1000 × ) than the scattering time within the dopant plane.

Mercury Dispersion Modeling And Purge Ventilation Stack Height Determination For Tank 40H

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

Rivera-Giboyeaux, A.

2017-05-19

The SRNL Atmospheric Technologies Group performed an analysis for mercury emissions from H-Tank Farm - Tank 40 ventilation system exhaust in order to assess whether the Short Term Exposure Limit (STEL), or Threshold Limit Value (TLV) levels for mercury will be exceeded during bulk sludge slurry mixing and sludge removal operations. The American Meteorological Society/Environmental Protection Agency Regulatory Model (AERMOD) was used as the main dispersion modelling tool for this analysis. The results indicated that a 45-foot stack is sufficient to raise the plume centerline from the Tank 40 release to prevent mercury exposure problems for any of the stackmore » discharge scenarios provided. However, a 42-foot stack at Tank 40 is sufficient to prevent mercury exposure concerns in all emission scenarios except the 50 mg/m 3 release. At a 42-foot stack height, values exceeding the exposure standards are only measured on receptors located above 34 feet.« less

Optimizing ITO for incorporation into multilayer thin film stacks for visible and NIR applications

NASA Astrophysics Data System (ADS)

Roschuk, Tyler; Taddeo, David; Levita, Zachary; Morrish, Alan; Brown, Douglas

2017-05-01

Indium Tin Oxide, ITO, is the industry standard for transparent conductive coatings. As such, the common metrics for characterizing ITO performance are its transmission and conductivity/resistivity (or sheet resistance). In spite of its recurrent use in a broad range of technological applications, the performance of ITO itself is highly variable, depending on the method of deposition and chamber conditions, and a single well defined set of properties does not exist. This poses particular challenges for the incorporation of ITO in complex optical multilayer stacks while trying to maintain electronic performance. Complicating matters further, ITO suffers increased absorption losses in the NIR - making the ability to incorporate ITO into anti-reflective stacks crucial to optimizing overall optical performance when ITO is used in real world applications. In this work, we discuss the use of ITO in multilayer thin film stacks for applications from the visible to the NIR. In the NIR, we discuss methods to analyze and fine tune the film properties to account for, and minimize, losses due to absorption and to optimize the overall transmission of the multilayer stacks. The ability to obtain high transmission while maintaining good electrical properties, specifically low resistivity, is demonstrated. Trade-offs between transmission and conductivity with variation of process parameters are discussed in light of optimizing the performance of the final optical stack and not just with consideration to the ITO film itself.

First-principles studies of electric field effects on the electronic structure of trilayer graphene

NASA Astrophysics Data System (ADS)

Wang, Yun-Peng; Li, Xiang-Guo; Fry, James N.; Cheng, Hai-Ping

2016-10-01

A gate electric field is a powerful way to manipulate the physical properties of nanojunctions made of two-dimensional crystals. To simulate field effects on the electronic structure of trilayer graphene, we used density functional theory in combination with the effective screening medium method, which enables us to understand the field-dependent layer-layer interactions and the fundamental physics underlying band gap variations and the resulting band modifications. Two different graphene stacking orders, Bernal (or ABC) and rhombohedral (or ABA), were considered. In addition to confirming the experimentally observed band gap opening in ABC-stacked and the band overlap in ABA-stacked trilayer systems, our results reveal rich physics in these fascinating systems, where layer-layer couplings are present but some characteristics features of single-layer graphene are partially preserved. For ABC stacking, the electric-field-induced band gap size can be tuned by charge doping, while for ABA band the tunable quantity is the band overlap. Our calculations show that the electronic structures of the two stacking orders respond very differently to charge doping. We find that in the ABA stacking hole doping can reopen a band gap in the band-overlapping region, a phenomenon distinctly different from electron doping. The physical origins of the observed behaviors were fully analyzed, and we conclude that the dual-gate configuration greatly enhances the tunability of the trilayer systems.

Progress in the planar CPn SOFC system design verification

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

Elangovan, S.; Hartvigsen, J.; Khandkar, A.

1996-04-01

SOFCo is developing a high efficiency, modular and scaleable planar SOFC module termed the CPn design. This design has been verified in a 1.4 kW module test operated directly on pipeline natural gas. The design features multistage oxidation of fuel wherein the fuel is consumed incrementally over several stages. High efficiency is achieved by uniform current density distribution per stage, which lowers the stack resistance. Additional benefits include thermal regulation and compactness. Test results from stack modules operating in pipeline natural gas are presented.

Investigating Correlation between Protein Sequence Similarity and Semantic Similarity Using Gene Ontology Annotations.

PubMed

Ikram, Najmul; Qadir, Muhammad Abdul; Afzal, Muhammad Tanvir

2018-01-01

Sequence similarity is a commonly used measure to compare proteins. With the increasing use of ontologies, semantic (function) similarity is getting importance. The correlation between these measures has been applied in the evaluation of new semantic similarity methods, and in protein function prediction. In this research, we investigate the relationship between the two similarity methods. The results suggest absence of a strong correlation between sequence and semantic similarities. There is a large number of proteins with low sequence similarity and high semantic similarity. We observe that Pearson's correlation coefficient is not sufficient to explain the nature of this relationship. Interestingly, the term semantic similarity values above 0 and below 1 do not seem to play a role in improving the correlation. That is, the correlation coefficient depends only on the number of common GO terms in proteins under comparison, and the semantic similarity measurement method does not influence it. Semantic similarity and sequence similarity have a distinct behavior. These findings are of significant effect for future works on protein comparison, and will help understand the semantic similarity between proteins in a better way.

Modeling the kinematics of multi-axial composite laminates as a stacking of 2D TIF plies

NASA Astrophysics Data System (ADS)

Ibañez, Ruben; Abisset-Chavanne, Emmanuelle; Chinesta, Francisco; Huerta, Antonio

2016-10-01

Thermoplastic composites are widely considered in structural parts. In this paper attention is paid to sheet forming of continuous fiber laminates. In the case of unidirectional prepregs, the ply constitutive equation is modeled as a transversally isotropic fluid, that must satisfy both the fiber inextensibility as well as the fluid incompressibility. When the stacking sequence involves plies with different orientations the kinematics of each ply during the laminate deformation varies significantly through the composite thickness. In our former works we considered two different approaches when simulating the squeeze flow induced by the laminate compression, the first based on a penalty formulation and the second one based on the use of Lagrange multipliers. In the present work we propose an alternative approach that consists in modeling each ply involved in the laminate as a transversally isotropic fluid - TIF - that becomes 2D as soon as incompressibility constraint and plane stress assumption are taken into account. Thus, composites laminates can be analyzed as a stacking of 2D TIF models that could eventually interact by using adequate friction laws at the inter-ply interfaces.

Magnetic susceptibility of alkali-tetracyanoquinodimethane salts and extended Hubbard models with bond order and charge density wave phases

NASA Astrophysics Data System (ADS)

Kumar, Manoranjan; Topham, Benjamin J.; Yu, RuiHui; Ha, Quoc Binh Dang; Soos, Zoltán G.

2011-06-01

The molar spin susceptibilities χ(T) of Na-tetracyanoquinodimethane (TCNQ), K-TCNQ, and Rb-TCNQ(II) are fit quantitatively to 450 K in terms of half-filled bands of three one-dimensional Hubbard models with extended interactions using exact results for finite systems. All three models have bond order wave (BOW) and charge density wave (CDW) phases with boundary V = Vc(U) for nearest-neighbor interaction V and on-site repulsion U. At high T, all three salts have regular stacks of TCNQ^- anion radicals. The χ(T) fits place Na and K in the CDW phase and Rb(II) in the BOW phase with V ≈ Vc. The Na and K salts have dimerized stacks at T < Td while Rb(II) has regular stacks at 100 K. The χ(T) analysis extends to dimerized stacks and to dimerization fluctuations in Rb(II). The three models yield consistent values of U, V, and transfer integrals t for closely related TCNQ^- stacks. Model parameters based on χ(T) are smaller than those from optical data that in turn are considerably reduced by electronic polarization from quantum chemical calculation of U, V, and t of adjacent TCNQ^- ions. The χ(T) analysis shows that fully relaxed states have reduced model parameters compared to optical or vibration spectra of dimerized or regular TCNQ^- stacks.

Flexible Lithium-Ion Fiber Battery by the Regular Stacking of Two-Dimensional Titanium Oxide Nanosheets Hybridized with Reduced Graphene Oxide.

PubMed

Hoshide, Tatsumasa; Zheng, Yuanchuan; Hou, Junyu; Wang, Zhiqiang; Li, Qingwen; Zhao, Zhigang; Ma, Renzhi; Sasaki, Takayoshi; Geng, Fengxia

2017-06-14

Increasing interest has recently been devoted to developing small, rapid, and portable electronic devices; thus, it is becoming critically important to provide matching light and flexible energy-storage systems to power them. To this end, compared with the inevitable drawbacks of being bulky, heavy, and rigid for traditional planar sandwiched structures, linear fiber-shaped lithium-ion batteries (LIB) have become increasingly important owing to their combined superiorities of miniaturization, adaptability, and weavability, the progress of which being heavily dependent on the development of new fiber-shaped electrodes. Here, we report a novel fiber battery electrode based on the most widely used LIB material, titanium oxide, which is processed into two-dimensional nanosheets and assembled into a macroscopic fiber by a scalable wet-spinning process. The titania sheets are regularly stacked and conformally hybridized in situ with reduced graphene oxide (rGO), thereby serving as efficient current collectors, which endows the novel fiber electrode with excellent integrated mechanical properties combined with superior battery performances in terms of linear densities, rate capabilities, and cyclic behaviors. The present study clearly demonstrates a new material-design paradigm toward novel fiber electrodes by assembling metal oxide nanosheets into an ordered macroscopic structure, which would represent the most-promising solution to advanced flexible energy-storage systems.

Interfacial Stacks of Polymeric Nanofilms on Soft Biological Surfaces that Release Multiple Agents.

PubMed

Herron, Maggie; Schurr, Michael J; Murphy, Christopher J; McAnulty, Jonathan F; Czuprynski, Charles J; Abbott, Nicholas L

2016-10-03

We report a general and facile method that permits the transfer (stacking) of multiple independently fabricated and nanoscopically thin polymeric films, each containing a distinct bioactive agent, onto soft biomedically relevant surfaces (e.g., collagen-based wound dressings). By using polyelectrolyte multilayer films (PEMs) formed from poly(allyl amine hydrochloride) and poly(acrylic acid) as representative polymeric nanofilms and micrometer-thick water-soluble poly(vinyl alcohol) sacrificial films to stack the PEMs, we demonstrate that it is possible to create stacked polymeric constructs containing multiple bioactive agents (e.g., antimicrobial and antibiofilm agents) on soft and chemically complex surfaces onto which PEMs cannot be routinely transferred by stamping. We illustrate the characteristics and merits of the approach by fabricating stacks of Ga 3+ (antibiofilm agent)- and Ag + (antimicrobial agent)-loaded PEMs as prototypical examples of agent-containing PEMs and demonstrate that the stacked PEMs incorporate precise loadings of the agents and provide flexibility in terms of tuning release rates. Specifically, we show that simultaneous release of Ga 3+ and Ag + from the stacked PEMs on collagen-based wound dressings can lead to synergistic effects on bacteria, killing and dispersing biofilms formed by Pseudomonas aeruginosa (two strains: ATCC 27853 and MPAO1) at sufficiently low loadings of agents such that cytotoxic effects on mammalian cells are avoided. The approach is general (a wide range of bioactive agents other than Ga 3+ and Ag + can be incorporated into PEMs), and the modular nature of the approach potentially allows end-user functionalization of soft biological surfaces for programmed release of multiple bioactive agents.

Mechanisms of strand break formation in DNA due to the direct effect of ionizing radiation: the dependency of free base release on the length of alternating CG oligodeoxynucleotides.

PubMed

Sharma, Kiran K; Razskazovskiy, Yuriy; Purkayastha, Shubhadeep; Bernhard, William A

2009-06-11

The question of how NA base sequence influences the yield of DNA strand breaks produced by the direct effect of ionizing radiation was investigated in a series of oligodeoxynucleotides of the form (d(CG)(n))(2) and (d(GC)(n))(2). The yields of free base release from X-irradiated DNA films containing 2.5 waters/nucleotide were measured by HPLC as a function of oligomer length. For (d(CG)(n))(2), the ratio of the Gua yield to Cyt yield, R, was relatively constant at 2.4-2.5 for n = 2-4 and it decreased to 1.2 as n increased from 5 to 10. When Gua was moved to the 5' end, for example going from d(CG)(5) to d(GC)(5), R dropped from 1.9 +/- 0.1 to 1.1 +/- 0.1. These effects are poorly described if the chemistry at the oligomer ends is assumed to be independent of the remainder of the oligomer. A mathematical model incorporating charge transfer through the base stack was derived to explain these effects. In addition, EPR was used to measure the yield of trapped-deoxyribose radicals at 4 K following X-irradiation at 4 K. The yield of free base release was substantially greater, by 50-100 nmol/J, than the yield of trapped-deoxyribose radicals. Therefore, a large fraction of free base release stems from a nonradical intermediate. For this intermediate, a deoxyribose carbocation formed by two one-electron oxidations is proposed. This reaction pathway requires that the hole (electron loss site) transfers through the base stack and, upon encountering a deoxyribose hole, oxidizes that site to form a deoxyribose carbocation. This reaction mechanism provides a consistent way of explaining both the absence of trapped radical intermediates and the unusual dependence of free base release on oligomer length.

Navigating in foldonia: Using accelerated molecular dynamics to explore stability, unfolding and self-healing of the β-solenoid structure formed by a silk-like polypeptide

PubMed Central

Zhao, Binwu

2017-01-01

The β roll molecules with sequence (GAGAGAGQ)10 stack via hydrogen bonding to form fibrils which have been themselves been used to make viral capsids of DNA strands, supramolecular nanotapes and pH-responsive gels. Accelerated molecular dynamics (aMD) simulations are used to investigate the unfolding of a stack of two β roll molecules, (GAGAGAGQ)10, to shed light on the folding mechanism by which silk-inspired polypeptides form fibrils and to identify the dominant forces that keep the silk-inspired polypeptide in a β roll configuration. Our study shows that a molecule in a stack of two β roll molecules unfolds in a step-wise fashion mainly from the C terminal. The bottom template is found to play an important role in stabilizing the β roll structure of the molecule on top by strengthening the hydrogen bonds in the layer that it contacts. Vertical hydrogen bonds within the β roll structure are considerably weaker than lateral hydrogen bonds, signifying the importance of lateral hydrogen bonds in stabilizing the β roll structure. Finally, an intermediate structure was found containing a β hairpin and an anti-parallel β sheet consisting of strands from the top and bottom molecules, revealing the self-healing ability of the β roll stack. PMID:28329017

Assessment of opacimeter calibration according to International Standard Organization 10155.

PubMed

Gomes, J F

2001-01-01

This paper compares the calibration method for opacimeters issued by the International Standard Organization (ISO) 10155 with the manual reference method for determination of dust content in stack gases. ISO 10155 requires at least nine operational measurements, corresponding to three operational measurements per each dust emission range within the stack. The procedure is assessed by comparison with previous calibration methods for opacimeters using only two operational measurements from a set of measurements made at stacks from pulp mills. The results show that even if the international standard for opacimeter calibration requires that the calibration curve is to be obtained using 3 x 3 points, a calibration curve derived using 3 points could be, at times, acceptable in statistical terms, provided that the amplitude of individual measurements is low.

Biochemical and Genetic Evidence that Enterococcus faecium L50 Produces Enterocins L50A and L50B, the sec-Dependent Enterocin P, and a Novel Bacteriocin Secreted without an N-Terminal Extension Termed Enterocin Q

PubMed Central

Cintas, Luis M.; Casaus, Pilar; Herranz, Carmen; Håvarstein, Leiv Sigve; Holo, Helge; Hernández, Pablo E.; Nes, Ingolf F.

2000-01-01

Enterococcus faecium L50 grown at 16 to 32°C produces enterocin L50 (EntL50), consisting of EntL50A and EntL50B, two unmodified non-pediocin-like peptides synthesized without an N-terminal leader sequence or signal peptide. However, the bacteriocin activity found in the cell-free culture supernatants following growth at higher temperatures (37 to 47°C) is not due to EntL50. A purification procedure including cation-exchange, hydrophobic interaction, and reverse-phase liquid chromatography has shown that the antimicrobial activity is due to two different bacteriocins. Amino acid sequences obtained by Edman degradation and DNA sequencing analyses revealed that one is identical to the sec-dependent pediocin-like enterocin P produced by E. faecium P13 (L. M. Cintas, P. Casaus, L. S. Håvarstein, P. E. Hernández, and I. F. Nes, Appl. Environ. Microbiol. 63:4321–4330, 1997) and the other is a novel unmodified non-pediocin-like bacteriocin termed enterocin Q (EntQ), with a molecular mass of 3,980. DNA sequencing analysis of a 963-bp region of E. faecium L50 containing the enterocin P structural gene (entP) and the putative immunity protein gene (entiP) reveals a genetic organization identical to that previously found in E. faecium P13. DNA sequencing analysis of a 1,448-bp region identified two consecutive but diverging open reading frames (ORFs) of which one, termed entQ, encodes a 34-amino-acid protein whose deduced amino acid sequence was identical to that obtained for EntQ by amino acid sequencing, showing that EntQ, similarly to EntL50A and EntL50B, is synthesized without an N-terminal leader sequence or signal peptide. The second ORF, termed orf2, was located immediately upstream of and in opposite orientation to entQ and encodes a putative immunity protein composed of 221 amino acids. Bacteriocin production by E. faecium L50 showed that EntP and EntQ are produced in the temperature range from 16 to 47°C and maximally detected at 47 and 37 to 47°C, respectively, while EntL50A and EntL50B are maximally synthesized at 16 to 25°C and are not detected at 37°C or above. PMID:11073927

Structural and thermodynamic insight into E. coli UvrABC mediated incision of cluster di-acetylaminofluorene adducts on the NarI sequence

PubMed Central

Jain, Vipin; Hilton, Benjamin; Lin, Bin; Jain, Anshu; MacKerell, Alexander D.; Zou, Yue; Cho, Bongsup P.

2014-01-01

Cluster DNA damage refers to two or more lesions in a single turn of the DNA helix. Such clustering may occur with bulky DNA lesions, which may be responsible for their sequence dependent repair and mutational outcomes. Here we prepared three 16-mer cluster duplexes in which two fluoroacetylaminofluorene adducts (dG-FAAF) are separated by none, one and two nucleotides in the E. coli NarI mutational hot spot (5'-CTCTCG1G2CG3CCATCAC-3'): i.e. 5'-- CG1*G2*CG3CC--3', 5'--CG1G2*CG3*CC--3', and 5'--CG1*G2CG3*CC--3' [G*=dG-FAAF], respectively. We conducted spectroscopic, thermodynamic, and molecular dynamics studies of these di-FAAF duplexes and the results were compared with those of the corresponding mono- FAAF adducts in the same NarI sequence (Nucleic Acids Res. 2012, 3939–3951). Our nucleotide excision repair results showed greater reparability of the di-adducts in comparison to the corresponding mono-adducts. Moreover, we observed dramatic flanking base sequence effects on their repair efficiency in the order of NarI-G2G3 > -G1G3 > -G1G2. The NMR/CD/UV-melting and MD-simulation results revealed that in contrast to the mono-adducts, di-adducts produced synergistic effect on duplex destabilization. In addition, dG-FAAF at G2G3 and G1G3 destack the neighboring bases with greater destabilization occurring with the former. Overall, the results indicate the importance of base stacking and related thermal/thermodynamic destabilization in the repair of bulky cluster arylamine DNA adducts. PMID:23841451

Implicity Defined Neural Networks for Sequence Labeling

DTIC Science & Technology

2017-02-13

popularity of the Long Short - Term Memory (LSTM) (Hochreiter and Schmidhuber, 1997) and variants such as the Gated Recurrent Unit (GRU) (Cho et al., 2014...bidirectional lstm and other neural network architectures. Neural Net- works 18(5):602–610. Sepp Hochreiter and Jürgen Schmidhuber. 1997. Long short - term ...hid- den states of the network to coupled together, allowing potential improvement on problems with complex, long -distance dependencies. Initial

Experimental Insights into the Origin of Defect-Structured Hibonites Found in Meteorites

NASA Technical Reports Server (NTRS)

Han. J.; Keller, L. P.; Danielson, L. R.

2016-01-01

Hibonite (CaAl12O19) is a primary, highly refractory phase occurring in many Ca-Al-rich inclusions (CAIs). Previous microstructural studies of hibonite in CAIs and their Wark-Lovering (WL) rims showed the presence of numerous stacking defects in hibonites. These defects are interpreted as the modification of the stacking sequences of spinel and Ca-containing blocks within the ideal hexagonal hibonite structure due to the presence of wider spinel blocks [3], as shown by experimental studies of reaction-sintered compounds in the CaO-Al2O3 system. We performed a series of experiments in the CaO-Al2O3-MgO system in order to provide additional in-sights into the formation processes and conditions of defect-structured hibonites found in meteorites.

Stacked Buoyant Payload Launcher

DTIC Science & Technology

2013-05-14

unit, the signal ejector , or through the escape hatch lockout trunk. Each of these deployment methods has disadvantages. [0005] Torpedo tubes are... ejector tube can accommodate payloads approximately three inches in diameter. Thus, payload size is extremely limited. The escape hatch lockout trunk...signal ejector tube. Additionally, the system 10 can launch multiple payloads during one launch sequence, or can provide multiple launches at

Impact Damage Detection of Toughened CFRP Laminates with Time Domain Reflectometry

DTIC Science & Technology

2013-01-30

detect damage of the CFRP structures. 3. Experiments Material used for the experiments is IM600/133 highly toughened CFRP prepreg produced by Toho...Tenux Co. Ltd. The long specimen shown in Fig. 5 is made from the prepreg . The cure condition is 180°C×0.7MPa×2h. The specimen’s stacking sequence

Solid-state dewetting of Au-Ni bi-layer films mediated through individual layer thickness and stacking sequence

NASA Astrophysics Data System (ADS)

Herz, Andreas; Theska, Felix; Rossberg, Diana; Kups, Thomas; Wang, Dong; Schaaf, Peter

2018-06-01

In the present work, the solid-state dewetting of Au-Ni bi-layer thin films deposited on SiO2/Si is systematically studied with respect to individual layer thickness and stacking sequence. For this purpose, a rapid heat treatment at medium temperatures is applied in order to examine void formation at the early stages of the dewetting. Compositional variations are realized by changing the thickness ratio of the bi-layer films, while the total thickness is maintained at 20 nm throughout the study. In the event of Au/Ni films annealed at 500 °C, crystal voids exposing the substrate are missing regardless of chemical composition. In reverse order, the number of voids per unit area in two-phase Au-Ni thin films is found to be governed by the amount of Au-rich material. At higher temperatures up to 650 °C, a decreased probability of nucleation comes at the expense of a major portion of cavities, resulting in the formation of bubbles in 15 nm Ni/5 nm Au bi-layers. Film buckling predominantly occurred at phase boundaries crossing the bubbles.

Experimental observations and finite element analysis of the initiation of fiber microbuckling in notched composite laminates

NASA Technical Reports Server (NTRS)

Guynn, E. Gail; Bradley, Walter L.; Ochoa, Ozden O.

1990-01-01

A better understanding of the factors that affect the semi-circular edge-notched compressive strength is developed, and the associated failure mode(s) of thermoplastic composite laminates with multidirectional stacking sequences are identified. The primary variables in this investigation are the resin nonlinear shear constitutive behavior, stacking sequence (orientation of plies adjacent to the 0 degree plies), resin-rich regions between the 0 degree plies and the off-axis supporting plies, fiber/matrix interfacial bond strength, and initial fiber waviness. Two thermoplastic composite material systems are used in this investigation. The materials are the commercial APC-2 (AS4/PEEK) and a poor interface experimental material, AU4U/PEEK, designed for this investigation. Notched compression specimens are studied at 21, 77, and 132 C. Geometric and material nonlinear two-dimensional finite element analysis is used to model the initiation of fiber microbuckling of both the ideal straight fiber and the more realistic initially wavy fiber. The effects of free surface, fiber constitutive properties, matrix constitutive behavior, initial fiber curvature, and fiber/matrix interfacial bond strength on fiber microbuckling initiation strain levels are considered.

Facies analysis, diagenesis and sequence stratigraphy of the carbonate-evaporite succession of the Upper Jurassic Surmeh Formation: Impacts on reservoir quality (Salman Oil Field, Persian Gulf, Iran)

NASA Astrophysics Data System (ADS)

Beigi, Maryam; Jafarian, Arman; Javanbakht, Mohammad; Wanas, H. A.; Mattern, Frank; Tabatabaei, Amin

2017-05-01

This study aims to determine the depositional facies, diagenetic processes and sequence stratigraphic elements of the subsurface carbonate-evaporite succession of the Upper Jurassic (Kimmeridgian-Tithonian) Surmeh Formation of the Salman Oil Field (the Persian Gulf, Iran), in an attempt to explore their impacts on reservoir quality. The Surmeh Formation consists mainly of carbonate rocks, intercalated with evaporite layers. Petrographically, the Surmeh Formation consists of nine microfacies (MF1-MF9). These microfacies are grouped into three facies associations related to three depositional environments (peritidal flat, lagoon and high-energy shoal) sited on the inner part of a homoclinal carbonate ramp. The recorded diagenetic processes include dolomitization, anhydritization, compaction, micritization, neomorphism, dissolution and cementation. Vertical stacking patterns of the studied facies reveal the presence of three third-order depositional sequences, each of which consists of transgressive systems tract (TST) and highstand systems tract (HST). The TSTs comprise intertidal and lagoon facies whereas the HSTs include supratidal and shoal facies. In terms of their impacts on reservoir quality, the shoal facies represent the best reservoir quality, whereas the peritidal and lagoonal facies exhibit moderate to lowest reservoir quality. Also, poikilotopic anhydrite cement played the most significant role in declining the reservoir quality, whereas the widespread dissolution of labile grains and formation of moldic and vuggy pores contributed in enhancing the reservoir quality. In addition, the HSTs have a better reservoir quality than the TSTs. This study represents an approach to use the depositional facies, diagenetic alterations and sequence stratigraphic framework of carbonate -evaporite succession for a more successful reservoir characterization.

Ab initio study of the structural, vibrational and thermal properties of Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Odhiambo, Henry; Othieno, Herick

2015-05-01

The structural, vibrational and thermal properties of hexagonal as well as cubic Ge2Sb2Te5 (GST) have been calculated from first principles. The relative stability of the possible stacking sequences of hexagonal GST has been confirmed to depend on the choice for the exchange-correlation (XC) energy functional. It is apparent that without the inclusion of the Te 4d orbitals in the valence states, the lattice parameters can be underestimated by as much as 3.9% compared to experiment and all-electron calculations. From phonon dispersion curves, it has been confirmed that the hexagonal phase is, indeed, stable whereas the cubic phase is metastable. In particular, calculations based on the quasi-harmonic approximation (QHA) reveal an extra heat capacity beyond the Dulong-Petit limit at high temperatures for both hexagonal and cubic GST. Moreover, cubic GST exhibits a residual entropy at 0 K, in agreement with experimental studies which attribute this phenomenon to substitutional disorder on the Sb/Ge/v sublattice.

Experimental Verification of a Progressive Damage Model for IM7/5260 Laminates Subjected to Tension-Tension Fatigue

NASA Technical Reports Server (NTRS)

Coats, Timothy W.; Harris, Charles E.

1995-01-01

The durability and damage tolerance of laminated composites are critical design considerations for airframe composite structures. Therefore, the ability to model damage initiation and growth and predict the life of laminated composites is necessary to achieve structurally efficient and economical designs. The purpose of this research is to experimentally verify the application of a continuum damage model to predict progressive damage development in a toughened material system. Damage due to monotonic and tension-tension fatigue was documented for IM7/5260 graphite/bismaleimide laminates. Crack density and delamination surface area were used to calculate matrix cracking and delamination internal state variables to predict stiffness loss in unnotched laminates. A damage dependent finite element code predicted the stiffness loss for notched laminates with good agreement to experimental data. It was concluded that the continuum damage model can adequately predict matrix damage progression in notched and unnotched laminates as a function of loading history and laminate stacking sequence.

Methods for decoding Cas9 protospacer adjacent motif (PAM) sequences: A brief overview.

PubMed

Karvelis, Tautvydas; Gasiunas, Giedrius; Siksnys, Virginijus

2017-05-15

Recently the Cas9, an RNA guided DNA endonuclease, emerged as a powerful tool for targeted genome manipulations. Cas9 protein can be reprogrammed to cleave, bind or nick any DNA target by simply changing crRNA sequence, however a short nucleotide sequence, termed PAM, is required to initiate crRNA hybridization to the DNA target. PAM sequence is recognized by Cas9 protein and must be determined experimentally for each Cas9 variant. Exploration of Cas9 orthologs could offer a diversity of PAM sequences and novel biochemical properties that may be beneficial for genome editing applications. Here we briefly review and compare Cas9 PAM identification assays that can be adopted for other PAM-dependent CRISPR-Cas systems. Copyright © 2017 Elsevier Inc. All rights reserved.

Observation of dopant-profile independent electron transport in sub-monolayer TiO{sub x} stacked ZnO thin films grown by atomic layer deposition

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

Saha, D., E-mail: sahaphys@gmail.com, E-mail: pmisra@rrcat.gov.in; Misra, P., E-mail: sahaphys@gmail.com, E-mail: pmisra@rrcat.gov.in; Joshi, M. P.

2016-01-18

Dopant-profile independent electron transport has been observed through a combined study of temperature dependent electrical resistivity and magnetoresistance measurements on a series of Ti incorporated ZnO thin films with varying degree of static-disorder. These films were grown by atomic layer deposition through in-situ vertical stacking of multiple sub-monolayers of TiO{sub x} in ZnO. Upon decreasing ZnO spacer layer thickness, electron transport smoothly evolved from a good metallic to an incipient non-metallic regime due to the intricate interplay of screening of spatial potential fluctuations and strength of static-disorder in the films. Temperature dependent phase-coherence length as extracted from the magnetotransport measurementmore » revealed insignificant role of inter sub-monolayer scattering as an additional channel for electron dephasing, indicating that films were homogeneously disordered three-dimensional electronic systems irrespective of their dopant-profiles. Results of this study are worthy enough for both fundamental physics perspective and efficient applications of multi-stacked ZnO/TiO{sub x} structures in the emerging field of transparent oxide electronics.« less

Numerical assessment of wind turbine blade damage due to contact/impact with tower during installation

NASA Astrophysics Data System (ADS)

Shankar Verma, Amrit; Petter Vedvik, Nils; Gao, Zhen

2017-12-01

The use of floating crane vessel for installation of offshore wind turbine blades presents a great challenge in terms of its random motions and is likely to increase the probability of the blade hitting the preassembled tower during lifting operation. To evaluate the consequences of such scenarios and to determine the allowable motions or sea states for such operations, it is very important to understand the damage development in the blade due to impact. The present paper employs the application of high fidelity finite element method to investigate the damage behavior in the blade when the leading edge of the blade hits the tower. A nonlinear time domain structural analysis using ABAQUS was conducted on the DTU 10 MW reference blade model which is based on shell elements. Damage assessment along with the nature of evolution of various energies is examined and presented for two different impact velocities with modified layup stacking sequence at the contact region.

Dielectric properties of graphene/MoS2 heterostructures from ab initio calculations and electron energy-loss experiments

NASA Astrophysics Data System (ADS)

Mohn, Michael J.; Hambach, Ralf; Wachsmuth, Philipp; Giorgetti, Christine; Kaiser, Ute

2018-06-01

High-energy electronic excitations of graphene and MoS2 heterostructures are investigated by momentum-resolved electron energy-loss spectroscopy in the range of 1 to 35 eV. The interplay of excitations on different sheets is understood in terms of long-range Coulomb interactions and is simulated using a combination of ab initio and dielectric model calculations. In particular, the layered electron-gas model is extended to thick layers by including the spatial dependence of the dielectric response in the direction perpendicular to the sheets. We apply this model to the case of graphene/MoS2/graphene heterostructures and discuss the possibility of extracting the dielectric properties of an encapsulated monolayer from measurements of the entire stack.

Performance of low resistance microchannel plate stacks

NASA Technical Reports Server (NTRS)

Siegmund, O. H. W.; Stock, J.

1991-01-01

Results are presented from an evaluation of three sets of low resistance microchannel plate (MCP) stacks; the tests encompassed gain, pulse-height distribution, background rate, event rate capacity as a function of illuminated area, and performance changes due to high temperature bakeout and high flux UV scrub. The MCPs are found to heat up, requiring from minutes to hours to reach stabilization. The event rate is strongly dependent on the size of the area being illuminated, with larger areas experiencing a gain drop onset at lower rates than smaller areas.

Band gap modulation of mono and bi-layer hexagonal ZnS under transverse electric field and bi-axial strain: A first principles study

NASA Astrophysics Data System (ADS)

Rai, D. P.; Kaur, Sumandeep; Srivastava, Sunita

2018-02-01

Density functional theory has been employed to study the electronic and mechanical properties of the monolayer and bilayer ZnS. AB stacked ZnS bilayer is found to be energetically more favorable over the AA stacked ZnS bilayer. The electronic bandgap decreases on moving from monolayer to bilayer. Application of positive transverse electric field in AA/AB stacked bilayers leads to a semiconductor to metal transition at 1.10 V/Å. Reversed polarity of electric field, on the other hand, leads to an asymmetric behavior of the bandgap for AB stacking while the behavior of the bandgap in AA stacking is polarity independent. The strong dependency of bandgap on polarity of electric field in AB stacked ZnS bilayer is due to the balancing of external field with the induced internal field which arises due the electronegativity and heterogeneity in the arrangements of atoms. The electronic structure varies with the variation of applied biaxial strain (compression/tensile). We report an increase in band gap in both single and double layers under compression up to -8.0%, which can be attributed to greater superposition of atomic orbitals (Zn-d and S-p hybridization). We expect that our results may stimulate more theoretical and experimental work on hexagonal multi-layers of ZnS employing external field (temperature, pressure, field etc.) for future applications of our present work.

Fragmentation of Rapid Eye Movement and Nonrapid Eye Movement Sleep without Total Sleep Loss Impairs Hippocampus-Dependent Fear Memory Consolidation.

PubMed

Lee, Michael L; Katsuyama, Ângela M; Duge, Leanne S; Sriram, Chaitra; Krushelnytskyy, Mykhaylo; Kim, Jeansok J; de la Iglesia, Horacio O

2016-11-01

Sleep is important for consolidation of hippocampus-dependent memories. It is hypothesized that the temporal sequence of nonrapid eye movement (NREM) sleep and rapid eye movement (REM) sleep is critical for the weakening of nonadaptive memories and the subsequent transfer of memories temporarily stored in the hippocampus to more permanent memories in the neocortex. A great body of evidence supporting this hypothesis relies on behavioral, pharmacological, neural, and/or genetic manipulations that induce sleep deprivation or stage-specific sleep deprivation. We exploit an experimental model of circadian desynchrony in which intact animals are not deprived of any sleep stage but show fragmentation of REM and NREM sleep within nonfragmented sleep bouts. We test the hypothesis that the shortening of NREM and REM sleep durations post-training will impair memory consolidation irrespective of total sleep duration. When circadian-desynchronized animals are trained in a hippocampus-dependent contextual fear-conditioning task they show normal short-term memory but impaired long-term memory consolidation. This impairment in memory consolidation is positively associated with the post-training fragmentation of REM and NREM sleep but is not significantly associated with the fragmentation of total sleep or the total amount of delta activity. We also show that the sleep stage fragmentation resulting from circadian desynchrony has no effect on hippocampus-dependent spatial memory and no effect on hippocampus-independent cued fear-conditioning memory. Our findings in an intact animal model, in which sleep deprivation is not a confounding factor, support the hypothesis that the stereotypic sequence and duration of sleep stages play a specific role in long-term hippocampus-dependent fear memory consolidation. © 2016 Associated Professional Sleep Societies, LLC.

Discovery of SNPs for individual identification by reduced representation sequencing of moose (Alces alces).

PubMed

Blåhed, Ida-Maria; Königsson, Helena; Ericsson, Göran; Spong, Göran

2018-01-01

Monitoring of wild animal populations is challenging, yet reliable information about population processes is important for both management and conservation efforts. Access to molecular markers, such as SNPs, enables population monitoring through genotyping of various DNA sources. We have developed 96 high quality SNP markers for individual identification of moose (Alces alces), an economically and ecologically important top-herbivore in boreal regions. Reduced representation libraries constructed from 34 moose were high-throughput de novo sequenced, generating nearly 50 million read pairs. About 50 000 stacks of aligned reads containing one or more SNPs were discovered with the Stacks pipeline. Several quality criteria were applied on the candidate SNPs to find markers informative on the individual level and well representative for the population. An empirical validation by genotyping of sequenced individuals and additional moose, resulted in the selection of a final panel of 86 high quality autosomal SNPs. Additionally, five sex-specific SNPs and five SNPs for sympatric species diagnostics are included in the panel. The genotyping error rate was 0.002 for the total panel and probability of identities were low enough to separate individuals with high confidence. Moreover, the autosomal SNPs were highly informative also for population level analyses. The potential applications of this SNP panel are thus many including investigations of population size, sex ratios, relatedness, reproductive success and population structure. Ideally, SNP-based studies could improve today's population monitoring and increase our knowledge about moose population dynamics.

Use of micro-resistivity imaging tools in developing lower Pennsylvanian Morrow channel sandstone reservoirs, Cheyenne, Kiowa and Lincoln Counties, Colorado

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

Germinario, M.P.

1996-01-01

In southeastern Colorado, Lower Pennsylvanian Morrow channel sandstones are part of complex valley-fill sequences incised into Morrow marine deposits. Morrow valleys are approximately [1/2] to 1 mile wide. Valley-fill consists of floodplain and channel filling shales, very fine-grained estuarine sandstones and fine- to coarse-grained channel sandstones that are up to 50' thick. Channel sandstones represent a sequence of stacked fluvial bars deposited in braided, anastomosing and meandering fluvial environments. Cross-stratification in channel sandstones can be imaged by micro-resistivity wireline logging tools and interpreted interactively on various workstation software packages. Recognition, interpretation and measurement of current, stoss face, and lateral accretionmore » beds in these sandstones can result in an estimated direction of paleocurrent flow of the channel. Determination of the channel's local paleoflow direction can provide significant sand risk reduction in developmental drilling, especially in 80 acre or less spacing patterns. As the distance between offset drilling locations increases, the reliability of paleoflow prediction decreases, and the corresponding sand risk rises. Lateral accretion bedding in Morrow channel sandstones has proven to be a poor indicator of sand thickening direction, due to the complex stacking of multiple channel sandstones within any given valley-fill sequence. Micro-resistivity imaging reduces risk in Morrow channel sandstone development drilling programs. Furthermore, these interpretation techniques could be applicable in other fluvial channel sandstone plays.« less

Use of micro-resistivity imaging tools in developing lower Pennsylvanian Morrow channel sandstone reservoirs, Cheyenne, Kiowa and Lincoln Counties, Colorado

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

Germinario, M.P.

1996-12-31

In southeastern Colorado, Lower Pennsylvanian Morrow channel sandstones are part of complex valley-fill sequences incised into Morrow marine deposits. Morrow valleys are approximately {1/2} to 1 mile wide. Valley-fill consists of floodplain and channel filling shales, very fine-grained estuarine sandstones and fine- to coarse-grained channel sandstones that are up to 50` thick. Channel sandstones represent a sequence of stacked fluvial bars deposited in braided, anastomosing and meandering fluvial environments. Cross-stratification in channel sandstones can be imaged by micro-resistivity wireline logging tools and interpreted interactively on various workstation software packages. Recognition, interpretation and measurement of current, stoss face, and lateral accretionmore » beds in these sandstones can result in an estimated direction of paleocurrent flow of the channel. Determination of the channel`s local paleoflow direction can provide significant sand risk reduction in developmental drilling, especially in 80 acre or less spacing patterns. As the distance between offset drilling locations increases, the reliability of paleoflow prediction decreases, and the corresponding sand risk rises. Lateral accretion bedding in Morrow channel sandstones has proven to be a poor indicator of sand thickening direction, due to the complex stacking of multiple channel sandstones within any given valley-fill sequence. Micro-resistivity imaging reduces risk in Morrow channel sandstone development drilling programs. Furthermore, these interpretation techniques could be applicable in other fluvial channel sandstone plays.« less

Can-Evo-Ens: Classifier stacking based evolutionary ensemble system for prediction of human breast cancer using amino acid sequences.

PubMed

Ali, Safdar; Majid, Abdul

2015-04-01

The diagnostic of human breast cancer is an intricate process and specific indicators may produce negative results. In order to avoid misleading results, accurate and reliable diagnostic system for breast cancer is indispensable. Recently, several interesting machine-learning (ML) approaches are proposed for prediction of breast cancer. To this end, we developed a novel classifier stacking based evolutionary ensemble system "Can-Evo-Ens" for predicting amino acid sequences associated with breast cancer. In this paper, first, we selected four diverse-type of ML algorithms of Naïve Bayes, K-Nearest Neighbor, Support Vector Machines, and Random Forest as base-level classifiers. These classifiers are trained individually in different feature spaces using physicochemical properties of amino acids. In order to exploit the decision spaces, the preliminary predictions of base-level classifiers are stacked. Genetic programming (GP) is then employed to develop a meta-classifier that optimal combine the predictions of the base classifiers. The most suitable threshold value of the best-evolved predictor is computed using Particle Swarm Optimization technique. Our experiments have demonstrated the robustness of Can-Evo-Ens system for independent validation dataset. The proposed system has achieved the highest value of Area Under Curve (AUC) of ROC Curve of 99.95% for cancer prediction. The comparative results revealed that proposed approach is better than individual ML approaches and conventional ensemble approaches of AdaBoostM1, Bagging, GentleBoost, and Random Subspace. It is expected that the proposed novel system would have a major impact on the fields of Biomedical, Genomics, Proteomics, Bioinformatics, and Drug Development. Copyright © 2015 Elsevier Inc. All rights reserved.

Quantifying riverine surface currents from time sequences of thermal infrared imagery

USGS Publications Warehouse

Puleo, J.A.; McKenna, T.E.; Holland, K.T.; Calantoni, J.

2012-01-01

River surface currents are quantified from thermal and visible band imagery using two methods. One method utilizes time stacks of pixel intensity to estimate the streamwise velocity at multiple locations. The other method uses particle image velocimetry to solve for optimal two-dimensional pixel displacements between successive frames. Field validation was carried out on the Wolf River, a small coastal plain river near Landon, Mississippi, United States, on 26-27 May 2010 by collecting imagery in association with in situ velocities sampled using electromagnetic current meters deployed 0.1 m below the river surface. Comparisons are made between mean in situ velocities and image-derived velocities from 23 thermal and 6 visible-band image sequences (5 min length) during daylight and darkness conditions. The thermal signal was a small apparent temperature contrast induced by turbulent mixing of a thin layer of cooler water near the river surface with underlying warmer water. The visible-band signal was foam on the water surface. For thermal imagery, streamwise velocities derived from the pixel time stack and particle image velocimetry technique were generally highly correlated to mean streamwise current meter velocities during darkness (r 2 typically greater than 0.9) and early morning daylight (r 2 typically greater than 0.83). Streamwise velocities from the pixel time stack technique had high correlation for visible-band imagery during early morning daylight hours with respect to mean current meter velocities (r 2 > 0.86). Streamwise velocities for the particle image velocimetry technique for visible-band imagery had weaker correlations with only three out of six correlations performed having an r 2 exceeding 0.6. Copyright 2012 by the American Geophysical Union.

Dynamic self-assembly of DNA minor groove-binding ligand DB921 into nanotubes triggered by an alkali halide† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7nr03875e

PubMed Central

Mizuta, R.; Devos, J. M.; Webster, J.; Ling, W. L.; Narayanan, T.; Round, A.; Munnur, D.; Mossou, E.; Farahat, A. A.; Boykin, D. W.; Wilson, W. D.; Neidle, S.; Schweins, R.; Rannou, P.; Haertlein, M.; Forsyth, V. T.

2018-01-01

We describe a novel self-assembling supramolecular nanotube system formed by a heterocyclic cationic molecule which was originally designed for its potential as an antiparasitic and DNA sequence recognition agent. Our structural characterisation work indicates that the nanotubes form via a hierarchical assembly mechanism that can be triggered and tuned by well-defined concentrations of simple alkali halide salts in water. The nanotubes assembled in NaCl have inner and outer diameters of ca. 22 nm and 26 nm respectively, with lengths that reach into several microns. Our results suggest the tubes consist of DB921 molecules stacked along the direction of the nanotube long axis. The tubes are stabilised by face-to-face π–π stacking and ionic interactions between the charged amidinium groups of the ligand and the negative halide ions. The assembly process of the nanotubes was followed using small-angle X-ray and neutron scattering, transmission electron microscopy and ultraviolet/visible spectroscopy. Our data demonstrate that assembly occurs through the formation of intermediate ribbon-like structures that in turn form helices that tighten and compact to form the final stable filament. This assembly process was tested using different alkali–metal salts, showing a strong preference for chloride or bromide anions and with little dependency on the type of cation. Our data further demonstrates the existence of a critical anion concentration above which the rate of self-assembly is greatly enhanced. PMID:29517086

Aged particles derived from emissions of coal-fired power plants: The TERESA field results

PubMed Central

Kang, Choong-Min; Gupta, Tarun; Ruiz, Pablo A.; Wolfson, Jack M.; Ferguson, Stephen T.; Lawrence, Joy E.; Rohr, Annette C.; Godleski, John; Koutrakis, Petros

2013-01-01

The Toxicological Evaluation of Realistic Emissions Source Aerosols (TERESA) study was carried out at three US coal-fired power plants to investigate the potential toxicological effects of primary and photochemically aged (secondary) particles using in situ stack emissions. The exposure system designed successfully simulated chemical reactions that power plant emissions undergo in a plume during transport from the stack to receptor areas (e.g., urban areas). Test atmospheres developed for toxicological experiments included scenarios to simulate a sequence of atmospheric reactions that can occur in a plume: (1) primary emissions only; (2) H2SO4 aerosol from oxidation of SO2; (3) H2SO4 aerosol neutralized by gas-phase NH3; (4) neutralized H2SO4 with secondary organic aerosol (SOA) formed by the reaction of α-pinene with O3; and (5) three control scenarios excluding primary particles. The aged particle mass concentrations varied significantly from 43.8 to 257.1 μg/m3 with respect to scenario and power plant. The highest was found when oxidized aerosols were neutralized by gas-phase NH3 with added SOA. The mass concentration depended primarily on the ratio of SO2 to NOx (particularly NO) emissions, which was determined mainly by coal composition and emissions controls. Particulate sulfate (H2SO4 + neutralized sulfate) and organic carbon (OC) were major components of the aged particles with added SOA, whereas trace elements were present at very low concentrations. Physical and chemical properties of aged particles appear to be influenced by coal type, emissions controls and the particular atmospheric scenarios employed. PMID:20462390

Oxidation precursor dependence of atomic layer deposited Al2O3 films in a-Si:H(i)/Al2O3 surface passivation stacks.

PubMed

Xiang, Yuren; Zhou, Chunlan; Jia, Endong; Wang, Wenjing

2015-01-01

In order to obtain a good passivation of a silicon surface, more and more stack passivation schemes have been used in high-efficiency silicon solar cell fabrication. In this work, we prepared a-Si:H(i)/Al2O3 stacks on KOH solution-polished n-type solar grade mono-silicon(100) wafers. For the Al2O3 film deposition, both thermal atomic layer deposition (T-ALD) and plasma enhanced atomic layer deposition (PE-ALD) were used. Interface trap density spectra were obtained for Si passivation with a-Si films and a-Si:H(i)/Al2O3 stacks by a non-contact corona C-V technique. After the fabrication of a-Si:H(i)/Al2O3 stacks, the minimum interface trap density was reduced from original 3 × 10(12) to 1 × 10(12) cm(-2) eV(-1), the surface total charge density increased by nearly one order of magnitude for PE-ALD samples and about 0.4 × 10(12) cm(-2) for a T-ALD sample, and the carrier lifetimes increased by a factor of three (from about 10 μs to about 30 μs). Combining these results with an X-ray photoelectron spectroscopy analysis, we discussed the influence of an oxidation precursor for ALD Al2O3 deposition on Al2O3 single layers and a-Si:H(i)/Al2O3 stack surface passivation from field-effect passivation and chemical passivation perspectives. In addition, the influence of the stack fabrication process on the a-Si film structure was also discussed in this study.

CMOS image sensor with organic photoconductive layer having narrow absorption band and proposal of stack type solid-state image sensors

NASA Astrophysics Data System (ADS)

Takada, Shunji; Ihama, Mikio; Inuiya, Masafumi

2006-02-01

Digital still cameras overtook film cameras in Japanese market in 2000 in terms of sales volume owing to their versatile functions. However, the image-capturing capabilities such as sensitivity and latitude of color films are still superior to those of digital image sensors. In this paper, we attribute the cause for the high performance of color films to their multi-layered structure, and propose the solid-state image sensors with stacked organic photoconductive layers having narrow absorption bands on CMOS read-out circuits.

The `advanced DIR-MCFC development' project, an overview

NASA Astrophysics Data System (ADS)

Kortbeek, P. J.; Ottervanger, R.

An overview is given of the approach and mid-term status of the joint European `Advanced DIR-MCFC Development' project, in which BCN, BG plc, GDF, ECN, Stork, Schelde and Sydkraft co-operate. Hospitals are identified as an attractive initial market for cogeneration direct internal reforming-molten carbonate fuel cell (DIR-MCFC) systems in the size of 400 kWe. Innovative system and stack design concepts are being developed for this application. The `SMARTER' system, based on DIR stacks, combines high electric efficiency and a wide operational window with optimal system simplicity and low cost.

A conserved mechanism for replication origin recognition and binding in archaea.

PubMed

Majerník, Alan I; Chong, James P J

2008-01-15

To date, methanogens are the only group within the archaea where firing DNA replication origins have not been demonstrated in vivo. In the present study we show that a previously identified cluster of ORB (origin recognition box) sequences do indeed function as an origin of replication in vivo in the archaeon Methanothermobacter thermautotrophicus. Although the consensus sequence of ORBs in M. thermautotrophicus is somewhat conserved when compared with ORB sequences in other archaea, the Cdc6-1 protein from M. thermautotrophicus (termed MthCdc6-1) displays sequence-specific binding that is selective for the MthORB sequence and does not recognize ORBs from other archaeal species. Stabilization of in vitro MthORB DNA binding by MthCdc6-1 requires additional conserved sequences 3' to those originally described for M. thermautotrophicus. By testing synthetic sequences bearing mutations in the MthORB consensus sequence, we show that Cdc6/ORB binding is critically dependent on the presence of an invariant guanine found in all archaeal ORB sequences. Mutation of a universally conserved arginine residue in the recognition helix of the winged helix domain of archaeal Cdc6-1 shows that specific origin sequence recognition is dependent on the interaction of this arginine residue with the invariant guanine. Recognition of a mutated origin sequence can be achieved by mutation of the conserved arginine residue to a lysine or glutamine residue. Thus despite a number of differences in protein and DNA sequences between species, the mechanism of origin recognition and binding appears to be conserved throughout the archaea.

Charliecloud: Unprivileged containers for user-defined software stacks in HPC

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

Priedhorsky, Reid; Randles, Timothy C.

Supercomputing centers are seeing increasing demand for user-defined software stacks (UDSS), instead of or in addition to the stack provided by the center. These UDSS support user needs such as complex dependencies or build requirements, externally required configurations, portability, and consistency. The challenge for centers is to provide these services in a usable manner while minimizing the risks: security, support burden, missing functionality, and performance. We present Charliecloud, which uses the Linux user and mount namespaces to run industry-standard Docker containers with no privileged operations or daemons on center resources. Our simple approach avoids most security risks while maintaining accessmore » to the performance and functionality already on offer, doing so in less than 500 lines of code. Charliecloud promises to bring an industry-standard UDSS user workflow to existing, minimally altered HPC resources.« less

Electric-field-control of magnetic anisotropy of Co0.6Fe0.2B0.2/oxide stacks using reduced voltage

NASA Astrophysics Data System (ADS)

Kita, Koji; Abraham, David W.; Gajek, Martin J.; Worledge, D. C.

2012-08-01

We have demonstrated purely electrical manipulation of the magnetic anisotropy of a Co0.6Fe0.2B0.2 film by applying only 8 V across the CoFeB/oxide stack. A clear transition from in-plane to perpendicular anisotropy was observed. The quantitative relationship between interface anisotropy energy and the applied electric-field was determined from the linear voltage dependence of the saturation field. By comparing the dielectric stacks of MgO/Al2O3 and MgO/HfO2/Al2O3, enhanced voltage control was also demonstrated, due to the higher dielectric constant of the HfO2. These results suggest the feasibility of purely electrical control of magnetization with small voltage bias for spintronics applications.

Lamination effects on a 3D model of the magnetic core of power transformers

NASA Astrophysics Data System (ADS)

Poveda-Lerma, Antonio; Serrano-Callergues, Guillermo; Riera-Guasp, Martin; Pineda-Sanchez, Manuel; Puche-Panadero, Ruben; Perez-Cruz, Juan

2017-12-01

In this paper the lamination effect on the model of a power transformer's core with stacked E-I structure is analyzed. The distribution of the magnetic flux in the laminations depends on the stacking method. In this work it is shown, using a 3D FEM model and an experimental prototype, that the non-uniform distribution of the flux in a laminated E-I core with alternate-lap joint stack increases substantially the average value of the magnetic flux density in the core, compared with a butt joint stack. Both the simulated model and the experimental tests show that the presence of constructive air-gaps in the E-I junctions gives rise to a zig-zag flux in the depth direction. This inter-lamination flux reduces the magnetic flux density in the I-pieces and increases substantially the magnetic flux density in the E-pieces, with highly saturated points that traditional 2D analysis cannot reproduce. The relation between the number of laminations included in the model, and the computational resourses needed to build it, is also evaluated in this work.

Thermal Casimir and Casimir–Polder interactions in N parallel 2D Dirac materials

NASA Astrophysics Data System (ADS)

Khusnutdinov, Nail; Kashapov, Rashid; Woods, Lilia M.

2018-07-01

The Casimir and Casimir–Polder interactions are investigated in a stack of equally spaced graphene layers. The optical response of the individual graphene is taken into account using gauge invariant components of the polarization tensor extended to the whole complex frequency plane. The planar symmetry for the electromagnetic boundary conditions is further used to obtain explicit forms for the Casimir energy stored in the stack and the Casimir–Polder energy between an atom above the stack. Our calculations show that these fluctuation induced interactions experience strong thermal effects due to the graphene Dirac-like energy spectrum. The spatial dispersion and temperature dependence in the optical response are also found to be important for enhancing the interactions especially at smaller separations. Analytical expressions for low and high temperature limits and their comparison with corresponding expressions for an infinitely conducting planar stack are further used to expand our understanding of Casimir and Casimir–Polder energies in Dirac materials. Our results may be useful to experimentalists as new ways to probe thermal effects at the nanoscale in such universal interactions.

cis-Golgi proteins accumulate near the ER exit sites and act as the scaffold for Golgi regeneration after brefeldin A treatment in tobacco BY-2 cells

PubMed Central

Ito, Yoko; Uemura, Tomohiro; Shoda, Keiko; Fujimoto, Masaru; Ueda, Takashi; Nakano, Akihiko

2012-01-01

The Golgi apparatus forms stacks of cisternae in many eukaryotic cells. However, little is known about how such a stacked structure is formed and maintained. To address this question, plant cells provide a system suitable for live-imaging approaches because individual Golgi stacks are well separated in the cytoplasm. We established tobacco BY-2 cell lines expressing multiple Golgi markers tagged by different fluorescent proteins and observed their responses to brefeldin A (BFA) treatment and BFA removal. BFA treatment disrupted cis, medial, and trans cisternae but caused distinct relocalization patterns depending on the proteins examined. Medial- and trans-Golgi proteins, as well as one cis-Golgi protein, were absorbed into the endoplasmic reticulum (ER), but two other cis-Golgi proteins formed small punctate structures. After BFA removal, these puncta coalesced first, and then the Golgi stacks regenerated from them in the cis-to-trans order. We suggest that these structures have a property similar to the ER-Golgi intermediate compartment and function as the scaffold of Golgi regeneration. PMID:22740633

cis-Golgi proteins accumulate near the ER exit sites and act as the scaffold for Golgi regeneration after brefeldin A treatment in tobacco BY-2 cells.

PubMed

Ito, Yoko; Uemura, Tomohiro; Shoda, Keiko; Fujimoto, Masaru; Ueda, Takashi; Nakano, Akihiko

2012-08-01

The Golgi apparatus forms stacks of cisternae in many eukaryotic cells. However, little is known about how such a stacked structure is formed and maintained. To address this question, plant cells provide a system suitable for live-imaging approaches because individual Golgi stacks are well separated in the cytoplasm. We established tobacco BY-2 cell lines expressing multiple Golgi markers tagged by different fluorescent proteins and observed their responses to brefeldin A (BFA) treatment and BFA removal. BFA treatment disrupted cis, medial, and trans cisternae but caused distinct relocalization patterns depending on the proteins examined. Medial- and trans-Golgi proteins, as well as one cis-Golgi protein, were absorbed into the endoplasmic reticulum (ER), but two other cis-Golgi proteins formed small punctate structures. After BFA removal, these puncta coalesced first, and then the Golgi stacks regenerated from them in the cis-to-trans order. We suggest that these structures have a property similar to the ER-Golgi intermediate compartment and function as the scaffold of Golgi regeneration.

Long-range self-organization of cytoskeletal myosin II filament stacks.

PubMed

Hu, Shiqiong; Dasbiswas, Kinjal; Guo, Zhenhuan; Tee, Yee-Han; Thiagarajan, Visalatchi; Hersen, Pascal; Chew, Teng-Leong; Safran, Samuel A; Zaidel-Bar, Ronen; Bershadsky, Alexander D

2017-02-01

Although myosin II filaments are known to exist in non-muscle cells, their dynamics and organization are incompletely understood. Here, we combined structured illumination microscopy with pharmacological and genetic perturbations, to study the process of actomyosin cytoskeleton self-organization into arcs and stress fibres. A striking feature of the myosin II filament organization was their 'registered' alignment into stacks, spanning up to several micrometres in the direction orthogonal to the parallel actin bundles. While turnover of individual myosin II filaments was fast (characteristic half-life time 60 s) and independent of actin filament turnover, the process of stack formation lasted a longer time (in the range of several minutes) and required myosin II contractility, as well as actin filament assembly/disassembly and crosslinking (dependent on formin Fmnl3, cofilin1 and α-actinin-4). Furthermore, myosin filament stack formation involved long-range movements of individual myosin filaments towards each other suggesting the existence of attractive forces between myosin II filaments. These forces, possibly transmitted via mechanical deformations of the intervening actin filament network, may in turn remodel the actomyosin cytoskeleton and drive its self-organization.

Novel vehicle detection system based on stacked DoG kernel and AdaBoost

PubMed Central

Kang, Hyun Ho; Lee, Seo Won; You, Sung Hyun

2018-01-01

This paper proposes a novel vehicle detection system that can overcome some limitations of typical vehicle detection systems using AdaBoost-based methods. The performance of the AdaBoost-based vehicle detection system is dependent on its training data. Thus, its performance decreases when the shape of a target differs from its training data, or the pattern of a preceding vehicle is not visible in the image due to the light conditions. A stacked Difference of Gaussian (DoG)–based feature extraction algorithm is proposed to address this issue by recognizing common characteristics, such as the shadow and rear wheels beneath vehicles—of vehicles under various conditions. The common characteristics of vehicles are extracted by applying the stacked DoG shaped kernel obtained from the 3D plot of an image through a convolution method and investigating only certain regions that have a similar patterns. A new vehicle detection system is constructed by combining the novel stacked DoG feature extraction algorithm with the AdaBoost method. Experiments are provided to demonstrate the effectiveness of the proposed vehicle detection system under different conditions. PMID:29513727

Design of nucleic acid strands with long low-barrier folding pathways.

PubMed

Condon, Anne; Kirkpatrick, Bonnie; Maňuch, Ján

2017-01-01

A major goal of natural computing is to design biomolecules, such as nucleic acid sequences, that can be used to perform computations. We design sequences of nucleic acids that are "guaranteed" to have long folding pathways relative to their length. This particular sequences with high probability follow low-barrier folding pathways that visit a large number of distinct structures. Long folding pathways are interesting, because they demonstrate that natural computing can potentially support long and complex computations. Formally, we provide the first scalable designs of molecules whose low-barrier folding pathways, with respect to a simple, stacked pair energy model, grow superlinearly with the molecule length, but for which all significantly shorter alternative folding pathways have an energy barrier that is [Formula: see text] times that of the low-barrier pathway for any [Formula: see text] and a sufficiently long sequence.

Hybrid Pareto artificial bee colony algorithm for multi-objective single machine group scheduling problem with sequence-dependent setup times and learning effects.

PubMed

Yue, Lei; Guan, Zailin; Saif, Ullah; Zhang, Fei; Wang, Hao

2016-01-01

Group scheduling is significant for efficient and cost effective production system. However, there exist setup times between the groups, which require to decrease it by sequencing groups in an efficient way. Current research is focused on a sequence dependent group scheduling problem with an aim to minimize the makespan in addition to minimize the total weighted tardiness simultaneously. In most of the production scheduling problems, the processing time of jobs is assumed as fixed. However, the actual processing time of jobs may be reduced due to "learning effect". The integration of sequence dependent group scheduling problem with learning effects has been rarely considered in literature. Therefore, current research considers a single machine group scheduling problem with sequence dependent setup times and learning effects simultaneously. A novel hybrid Pareto artificial bee colony algorithm (HPABC) with some steps of genetic algorithm is proposed for current problem to get Pareto solutions. Furthermore, five different sizes of test problems (small, small medium, medium, large medium, large) are tested using proposed HPABC. Taguchi method is used to tune the effective parameters of the proposed HPABC for each problem category. The performance of HPABC is compared with three famous multi objective optimization algorithms, improved strength Pareto evolutionary algorithm (SPEA2), non-dominated sorting genetic algorithm II (NSGAII) and particle swarm optimization algorithm (PSO). Results indicate that HPABC outperforms SPEA2, NSGAII and PSO and gives better Pareto optimal solutions in terms of diversity and quality for almost all the instances of the different sizes of problems.

A two-dimensional analytical modeling for channel potential and threshold voltage of short channel triple material symmetrical gate Stack (TMGS) DG-MOSFET

NASA Astrophysics Data System (ADS)

Tripathi, Shweta

2016-10-01

In the present work, a two-dimensional (2D) analytical framework of triple material symmetrical gate stack (TMGS) DG-MOSFET is presented in order to subdue the short channel effects. A lightly doped channel along with triple material gate having different work functions and symmetrical gate stack structure, showcases substantial betterment in quashing short channel effects to a good extent. The device functioning amends in terms of improved exemption to threshold voltage roll-off, thereby suppressing the short channel effects. The encroachments of respective device arguments on the threshold voltage of the proposed structure are examined in detail. The significant outcomes are compared with the numerical simulation data obtained by using 2D ATLAS™ device simulator to affirm and formalize the proposed device structure.

SiO2/AlON stacked gate dielectrics for AlGaN/GaN MOS heterojunction field-effect transistors

NASA Astrophysics Data System (ADS)

Watanabe, Kenta; Terashima, Daiki; Nozaki, Mikito; Yamada, Takahiro; Nakazawa, Satoshi; Ishida, Masahiro; Anda, Yoshiharu; Ueda, Tetsuzo; Yoshigoe, Akitaka; Hosoi, Takuji; Shimura, Takayoshi; Watanabe, Heiji

2018-06-01

Stacked gate dielectrics consisting of wide bandgap SiO2 insulators and thin aluminum oxynitride (AlON) interlayers were systematically investigated in order to improve the performance and reliability of AlGaN/GaN metal–oxide–semiconductor (MOS) devices. A significantly reduced gate leakage current compared with that in a single AlON layer was achieved with these structures, while maintaining the superior thermal stability and electrical properties of the oxynitride/AlGaN interface. Consequently, distinct advantages in terms of the reliability of the gate dielectrics, such as an improved immunity against electron injection and an increased dielectric breakdown field, were demonstrated for AlGaN/GaN MOS capacitors with optimized stacked structures having a 3.3-nm-thick AlON interlayer.

Estimates of ground level TSP, SO sub 2 and HCI for a municipal waste incinerator to be located at Tynes Bay - Bermuda

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

Kent Simmons, J.A.; Knap, A.H.

1991-04-01

The computer model Industrial Source Complex Short Term (ISCST) was used to study the stack emissions from a refuse incinerator proposed for the inland of Bermuda. The model predicts that the highest ground level pollutant concentrations will occur near Prospect, 800 m to 1,000 m due south of the stack. The authors installed a portable laboratory and instruments at Prospect to begin making air quality baseline measurements. By comparing the model's estimates of the incinerator contribution to the background levels measured at the site they predicted that stack emissions would not cause an increase in TSP or SO{sub 2}. Themore » incinerator will be a significant source of HCI to Bermuda air with ambient levels approaching air quality guidelines.« less

Convolutional neural network-based malaria diagnosis from focus stack of blood smear images acquired using custom-built slide scanner.

PubMed

Gopakumar, Gopalakrishna Pillai; Swetha, Murali; Sai Siva, Gorthi; Sai Subrahmanyam, Gorthi R K

2018-03-01

The present paper introduces a focus stacking-based approach for automated quantitative detection of Plasmodium falciparum malaria from blood smear. For the detection, a custom designed convolutional neural network (CNN) operating on focus stack of images is used. The cell counting problem is addressed as the segmentation problem and we propose a 2-level segmentation strategy. Use of CNN operating on focus stack for the detection of malaria is first of its kind, and it not only improved the detection accuracy (both in terms of sensitivity [97.06%] and specificity [98.50%]) but also favored the processing on cell patches and avoided the need for hand-engineered features. The slide images are acquired with a custom-built portable slide scanner made from low-cost, off-the-shelf components and is suitable for point-of-care diagnostics. The proposed approach of employing sophisticated algorithmic processing together with inexpensive instrumentation can potentially benefit clinicians to enable malaria diagnosis. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of number of stack on the thermal escape and non-radiative and radiative recombinations of photoexcited carriers in strain-balanced InGaAs/GaAsP multiple quantum-well-inserted solar cells

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

Aihara, Taketo; Fukuyama, Atsuhiko; Ikari, Tetsuo

2015-02-28

Three non-destructive methodologies, namely, surface photovoltage (SPV), photoluminescence, and piezoelectric photothermal (PPT) spectroscopies, were adopted to detect the thermal carrier escape from quantum well (QW) and radiative and non-radiative carrier recombinations, respectively, in strain-balanced InGaAs/GaAsP multiple-quantum-well (MQW)-inserted GaAs p-i-n solar cell structure samples. Although the optical absorbance signal intensity was proportional to the number of QW stack, the signal intensities of the SPV and PPT methods decreased at high number of stack. To explain the temperature dependency of these signal intensities, we proposed a model that considers the three carrier dynamics: the thermal escape from the QW, and the non-radiativemore » and radiative carrier recombinations within the QW. From the fitting procedures, it was estimated that the activation energies of the thermal escape ΔE{sub barr} and non-radiative recombination ΔE{sub NR} were 68 and 29 meV, respectively, for a 30-stacked MQW sample. The estimated ΔE{sub barr} value agreed well with the difference between the first electron subband and the top of the potential barrier in the conduction band. We found that ΔE{sub barr} remained constant at approximately 70 meV even with increasing QW stack number. However, the ΔE{sub NR} value monotonically increased with the increase in the number of stack. Since this implies that non-radiative recombination becomes improbable as the number of stack increases, we found that the radiative recombination probability for electrons photoexcited within the QW increased at a large number of QW stack. Additional processes of escaping and recapturing of carriers at neighboring QW were discussed. As a result, the combination of the three non-destructive methodologies provided us new insights for optimizing the MQW components to further improve the cell performance.« less

Edge effects and delamination failures

NASA Technical Reports Server (NTRS)

Herakovich, C. T.

1989-01-01

The fundamental relationship between the morphology of a composite laminate and the resulting free edge effects is explored and related to delamination failures. Cross-ply, angle-ply, and quasi-isotropic laminates are discussed in detail. It is shown that the local mismatch in elastic properties of adjacent layers and the global stacking sequence of a laminate both have a significant influence on the interlaminar stresses and delamination failures.