Genetic links among fluid cycling, vein formation, regional deformation, and plutonism in the Juneau gold belt, southeastern Alaska

USGS Publications Warehouse

Miller, Lance D.; Goldfarb, Richard J.; Gehrels, George E.; Snee, Lawrence W.

1994-01-01

Gold-bearing quartz vein systems in the Juneau gold belt formed within a 160-km- long by 5- to 8-km-wide zone along the western margin of the Coast Mountains, Alaska. Vein systems are spatially associated with shear zones adjacent to terrane-bounding, mid-Cretaceous thrust faults. Analysis of vein orientations and sense of shear data define a stress configuration with greatest and least principal axes oriented subhorizontally with northeast-southwest trends and subverticaly, respectively. This local stress configuration is compatible with the far-field plate configuration during Eocene time. Isotopic ages of vein formation indicate that fluid cycling occurred between 56.5 and ≥52.8 Ma, and are consistent with a genetic link between veining and a change in plate motion in early Eocene time. Veining was also synchronous with the latter stages of rapid exhumation and voluminous plutonism immediately inboard of the gold belt. We propose a model in which interacting tectonic events facilitated fault-valve action and vein development along now-exhumed shear zones.

Rapid Long-Range Disynaptic Inhibition Explains the Formation of Cortical Orientation Maps

PubMed Central

Antolík, Ján

2017-01-01

Competitive interactions are believed to underlie many types of cortical processing, ranging from memory formation, attention and development of cortical functional organization (e.g., development of orientation maps in primary visual cortex). In the latter case, the competitive interactions happen along the cortical surface, with local populations of neurons reinforcing each other, while competing with those displaced more distally. This specific configuration of lateral interactions is however in stark contrast with the known properties of the anatomical substrate, i.e., excitatory connections (mediating reinforcement) having longer reach than inhibitory ones (mediating competition). No satisfactory biologically plausible resolution of this conflict between anatomical measures, and assumed cortical function has been proposed. Recently a specific pattern of delays between different types of neurons in cat cortex has been discovered, where direct mono-synaptic excitation has approximately the same delay, as the combined delays of the disynaptic inhibitory interactions between excitatory neurons (i.e., the sum of delays from excitatory to inhibitory and from inhibitory to excitatory neurons). Here we show that this specific pattern of delays represents a biologically plausible explanation for how short-range inhibition can support competitive interactions that underlie the development of orientation maps in primary visual cortex. We demonstrate this statement analytically under simplifying conditions, and subsequently show using network simulations that development of orientation maps is preserved when long-range excitation, direct inhibitory to inhibitory interactions, and moderate inequality in the delays between excitatory and inhibitory pathways is added. PMID:28408869

Understanding the Charge Transfer at the Interface of Electron Donors and Acceptors: TTF–TCNQ as an Example

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

Park, Changwon; Atalla, Viktor; Smith, Sean

Charge transfer between an electron donor and an electron acceptor is widely accepted as being independent of their relative configurations if the interaction between them is weak; however, the limit of this concept for an interacting system has not yet been well established. Our study of prototypical electron donor–acceptor molecules, tetrathiafulvalene–tetracyanoquinodimethane, using density functional theory based on an advanced functional, clearly demonstrates that for interacting molecules, their configurational arrangement is as important as their individual electronic properties in the asymptotic limit to determine the charge transfer direction. For the first time, we demonstrate that by changing their relative orientation, onemore » can reverse the charge transfer direction of the pair, causing the molecules to exchange roles as donor and acceptor. In conclusion, our theory has important implications for understanding the interfacial charge-transfer mechanism of hybrid systems and related phenomena.« less

Understanding the Charge Transfer at the Interface of Electron Donors and Acceptors: TTF–TCNQ as an Example

DOE PAGES

Park, Changwon; Atalla, Viktor; Smith, Sean; ...

2017-06-16

Charge transfer between an electron donor and an electron acceptor is widely accepted as being independent of their relative configurations if the interaction between them is weak; however, the limit of this concept for an interacting system has not yet been well established. Our study of prototypical electron donor–acceptor molecules, tetrathiafulvalene–tetracyanoquinodimethane, using density functional theory based on an advanced functional, clearly demonstrates that for interacting molecules, their configurational arrangement is as important as their individual electronic properties in the asymptotic limit to determine the charge transfer direction. For the first time, we demonstrate that by changing their relative orientation, onemore » can reverse the charge transfer direction of the pair, causing the molecules to exchange roles as donor and acceptor. In conclusion, our theory has important implications for understanding the interfacial charge-transfer mechanism of hybrid systems and related phenomena.« less

Counting relative equilibrium configurations of the full two-body problem

NASA Astrophysics Data System (ADS)

Moeckel, Richard

2018-02-01

Consider a system of two rigid, massive bodies interacting according to their mutual gravitational attraction. In a relative equilibrium motion, the bodies rotate rigidly and uniformly about a fixed axis in R^3. This is possible only for special positions and orientations of the bodies. After fixing the angular momentum, these relative equilibrium configurations can be characterized as critical points of a smooth function on configuration space. The goal of this paper is to use Morse theory and Lusternik-Schnirelmann category theory to give lower bounds for the number of critical points when the angular momentum is sufficiently large. In addition, the exact number of critical points and their Morse indices are found in the limit as the angular momentum tends to infinity.

Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling

PubMed Central

Moritsugu, Kei; Terada, Tohru; Kidera, Akinori

2014-01-01

Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES) simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape. PMID:25340714

Temporal asynchrony and spatial perception

PubMed Central

Lev, Maria; Polat, Uri

2016-01-01

Collinear facilitation is an enhancement in the visibility of a target by laterally placed iso-oriented flankers in a collinear (COL) configuration. Iso-oriented flankers placed in a non-collinear configuration (side-by-side, SBS) produce less facilitation. Surprisingly, presentation of both configurations simultaneously (ISO-CROSS) abolishes the facilitation rather than increases it - a phenomenon that can’t be fully explained by the spatial properties of the target and flankers. Based on our preliminary data and recent studies, we hypothesized that there might be a novel explanation based on the temporal properties of the excitation and inhibition, resulting in asynchrony between the lateral inputs received from COL and SBS, leading to cancelation of the facilitatory component in ISO-CROSS. We explored this effect using a detection task in humans. The results replicated the previous results showing that the preferred facilitation for COL and SBS was abolished for the ISO-CROSS configuration. However, presenting the SBS flankers, but not the COL flankers 20 msec before ISO-CROSS restored the facilitatory effect. We propose a novel explanation that the perceptual advantage of collinear facilitation may be cancelled by the delayed input from the sides; thus, the final perception is determined by the overall spatial-temporal integration of the lateral interactions. PMID:27460532

High-Resolution Coarse-Grained Modeling Using Oriented Coarse-Grained Sites.

PubMed

Haxton, Thomas K

2015-03-10

We introduce a method to bring nearly atomistic resolution to coarse-grained models, and we apply the method to proteins. Using a small number of coarse-grained sites (about one per eight atoms) but assigning an independent three-dimensional orientation to each site, we preferentially integrate out stiff degrees of freedom (bond lengths and angles, as well as dihedral angles in rings) that are accurately approximated by their average values, while retaining soft degrees of freedom (unconstrained dihedral angles) mostly responsible for conformational variability. We demonstrate that our scheme retains nearly atomistic resolution by mapping all experimental protein configurations in the Protein Data Bank onto coarse-grained configurations and then analytically backmapping those configurations back to all-atom configurations. This roundtrip mapping throws away all information associated with the eliminated (stiff) degrees of freedom except for their average values, which we use to construct optimal backmapping functions. Despite the 4:1 reduction in the number of degrees of freedom, we find that heavy atoms move only 0.051 Å on average during the roundtrip mapping, while hydrogens move 0.179 Å on average, an unprecedented combination of efficiency and accuracy among coarse-grained protein models. We discuss the advantages of such a high-resolution model for parametrizing effective interactions and accurately calculating observables through direct or multiscale simulations.

An elasto-plastic fracture mechanics based model for assessment of hydride embrittlement in zircaloy cladding tubes

NASA Astrophysics Data System (ADS)

Nilsson, Karl-Fredrik; Jakšić, Nikola; Vokál, Vratko

2010-01-01

This paper describes a finite element based fracture mechanics model to assess how hydrides affect the integrity of zircaloy cladding tubes. The hydrides are assumed to fracture at a low load whereas the propagation of the fractured hydrides in the matrix material and failure of the tube is controlled by non-linear fracture mechanics and plastic collapse of the ligaments between the hydrides. The paper quantifies the relative importance of hydride geometrical parameters such as size, orientation and location of individual hydrides and interaction between adjacent hydrides. The paper also presents analyses for some different and representative multi-hydride configurations. The model is adaptable to general and complex crack configurations and can therefore be used to assess realistic hydride configurations. The mechanism of cladding failure is by plastic collapse of ligaments between interacting fractured hydrides. The results show that the integrity can be drastically reduced when several radial hydrides form continuous patterns.

How do patients actually experience and use art in hospitals? The significance of interaction: a user-oriented experimental case study

PubMed Central

Nielsen, Stine L.; Fich, Lars B.; Roessler, Kirsten K.; Mullins, Michael F.

2017-01-01

ABSTRACT This article aims to understand patient wellbeing and satisfaction and to qualify the current guidelines for the application of art in hospitals. Employing anthropological methods, we focus on the interactional aspects of art in health interventions. A user-oriented study ranked 20 paintings, followed by an experiment using paintings in the dayroom of five medical wards. Fieldwork was done over a two-week period. During the first week, dayrooms were configured without the presence of art and in the second week were configured with the artworks. Semi-structured interviews, observation, participant observation and informal conversation were carried out and were informed by thermal cameras, which monitored the usage, patient occupation and flow in two of the dayrooms. The study shows that art contributes to creating an environment and atmosphere where patients can feel safe, socialize, maintain a connection to the world outside the hospital and support their identity. We conclude that the presence of visual art in hospitals contributes to health outcomes by improving patient satisfaction as an extended form of health care. The article draws attention to further research perspectives and methods associated with the development of art in hospitals. PMID:28452607

How do patients actually experience and use art in hospitals? The significance of interaction: a user-oriented experimental case study.

PubMed

Nielsen, Stine L; Fich, Lars B; Roessler, Kirsten K; Mullins, Michael F

2017-12-01

This article aims to understand patient wellbeing and satisfaction and to qualify the current guidelines for the application of art in hospitals. Employing anthropological methods, we focus on the interactional aspects of art in health interventions. A user-oriented study ranked 20 paintings, followed by an experiment using paintings in the dayroom of five medical wards. Fieldwork was done over a two-week period. During the first week, dayrooms were configured without the presence of art and in the second week were configured with the artworks. Semi-structured interviews, observation, participant observation and informal conversation were carried out and were informed by thermal cameras, which monitored the usage, patient occupation and flow in two of the dayrooms. The study shows that art contributes to creating an environment and atmosphere where patients can feel safe, socialize, maintain a connection to the world outside the hospital and support their identity. We conclude that the presence of visual art in hospitals contributes to health outcomes by improving patient satisfaction as an extended form of health care. The article draws attention to further research perspectives and methods associated with the development of art in hospitals.

Large magnetoresistance by Pauli blockade in hydrogenated graphene

NASA Astrophysics Data System (ADS)

Guillemette, J.; Hemsworth, N.; Vlasov, A.; Kirman, J.; Mahvash, F.; Lévesque, P. L.; Siaj, M.; Martel, R.; Gervais, G.; Studenikin, S.; Sachrajda, A.; Szkopek, T.

2018-04-01

We report the observation of a giant positive magnetoresistance in millimeter-scale hydrogenated graphene with the magnetic field oriented in the plane of the graphene sheet. A positive magnetoresistance in excess of 200% at a temperature of 300 mK was observed in this configuration, reverting to negative magnetoresistance with the magnetic field oriented normal to the graphene plane. We attribute the observed positive in-plane magnetoresistance to a Pauli blockade of hopping conduction induced by spin polarization. Our Rapid Communication shows that spin polarization in concert with electron-electron interaction can play a dominant role in magnetotransport within an atomic monolayer.

Conductivity of Nanowire Arrays under Random and Ordered Orientation Configurations

PubMed Central

Jagota, Milind; Tansu, Nelson

2015-01-01

A computational model was developed to analyze electrical conductivity of random metal nanowire networks. It was demonstrated for the first time through use of this model that a performance gain in random metal nanowire networks can be achieved by slightly restricting nanowire orientation. It was furthermore shown that heavily ordered configurations do not outperform configurations with some degree of randomness; randomness in the case of metal nanowire orientations acts to increase conductivity. PMID:25976936

Band engineering in twisted molybdenum disulfide bilayers

NASA Astrophysics Data System (ADS)

Zhao, Yipeng; Liao, Chengwei; Ouyang, Gang

2018-05-01

In order to explore the theoretical relationship between interlayer spacing, interaction and band offset at the atomic level in vertically stacked two-dimensional (2D) van der Waals (vdW) structures, we propose an analytical model to address the evolution of interlayer vdW coupling with random stacking configurations in MoS2 bilayers based on the atomic-bond-relaxation correlation mechanism. We found that interlayer spacing changes substantially with respect to the orientations, and the bandgap increases from 1.53 eV (AB stacking) to 1.68 eV (AA stacking). Our results reveal that the evolution of interlayer vdW coupling originates from the interlayer interaction, leading to interlayer separations and electronic properties changing with stacking configurations. Our predictions constitute a demonstration of twist engineering the band shift in the emergent class of 2D crystals, transition-metal dichalcogenides.

Spaceborne computer executive routine functional design specification. Volume 2: Computer executive design for space station/base

NASA Technical Reports Server (NTRS)

Kennedy, J. R.; Fitzpatrick, W. S.

1971-01-01

The computer executive functional system design concepts derived from study of the Space Station/Base are presented. Information Management System hardware configuration as directly influencing the executive design is reviewed. The hardware configuration and generic executive design requirements are considered in detail in a previous report (System Configuration and Executive Requirements Specifications for Reusable Shuttle and Space Station/Base, 9/25/70). This report defines basic system primitives and delineates processes and process control. Supervisor states are considered for describing basic multiprogramming and multiprocessing systems. A high-level computer executive including control of scheduling, allocation of resources, system interactions, and real-time supervisory functions is defined. The description is oriented to provide a baseline for a functional simulation of the computer executive system.

Influence of valine enantiomer configuration on the molecular dynamics simulation of their separation by β-cyclodextrin

NASA Astrophysics Data System (ADS)

Alvira, Elena

2017-07-01

The influence of enantiomeric configurations on the separation of valine by β-cyclodextrin with different solvents, is analysed by a molecular dynamics simulation at constant temperature. Different methods to select the initial dispositions of valine enantiomers in the trajectories are proposed, and their influence on the interaction energy, residence time, elution order and capacity to form inclusion complexes is studied. The residence time is the most influenced quantity, whereas the capacity to form inclusion complexes is hardly affected by enantiomeric dispositions. In any case, guests tend to locate in the same areas of β-cyclodextrin but with different orientations according to disposition.

Compensation of the long-range beam-beam interactions as a path towards new configurations for the high luminosity LHC

DOE PAGES

Fartoukh, Stéphane; Valishev, Alexander; Papaphilippou, Yannis; ...

2015-12-01

Colliding bunch trains in a circular collider demands a certain crossing angle in order to separate the two beams transversely after the collision. The magnitude of this crossing angle is a complicated function of the bunch charge, the number of long-range beam-beam interactions, of β* and type of optics (flat or round), and possible compensation or additive effects between several low-β insertions in the ring depending on the orientation of the crossing plane at each interaction point. About 15 years ago, the use of current bearing wires was proposed at CERN in order to mitigate the long-range beam-beam effects [J.P. Koutchouk,more » CERN Report No. LHC-Project-Note 223, 2000], therefore offering the possibility to minimize the crossing angle with all the beneficial effects this might have: on the luminosity performance by reducing the need for crab-cavities or lowering their voltage, on the required aperture of the final focus magnets, on the strength of the orbit corrector involved in the crossing bumps, and finally on the heat load and radiation dose deposited in the final focus quadrupoles. In this paper, a semianalytical approach is developed for the compensation of the long-range beam-beam interactions with current wires. This reveals the possibility of achieving optimal correction through a careful adjustment of the aspect ratio of the β functions at the wire position. We consider the baseline luminosity upgrade plan of the Large Hadron Collider (HL-LHC project), and compare it to alternative scenarios, or so-called ''configurations,'' where modifications are applied to optics, crossing angle, or orientation of the crossing plane in the two low-β insertions of the ring. Furthermore, for all these configurations, the beneficial impact of beam-beam compensation devices is then demonstrated on the tune footprint, the dynamical aperture, and/or the frequency map analysis of the nonlinear beam dynamics as the main figures of merit.« less

Aerodynamic Interactions of Propulsive Deceleration and Reaction Control System Jets on Mars-Entry Aeroshells

NASA Astrophysics Data System (ADS)

Alkandry, Hicham

Future missions to Mars, including sample-return and human-exploration missions, may require alternative entry, descent, and landing technologies in order to perform pinpoint landing of heavy vehicles. Two such alternatives are propulsive deceleration (PD) and reaction control systems (RCS). PD can slow the vehicle during Mars atmospheric descent by directing thrusters into the incoming freestream. RCS can provide vehicle control and steering by inducing moments using thrusters on the hack of the entry capsule. The use of these PD and RCS jets, however, involves complex flow interactions that are still not well understood. The fluid interactions induced by PD and RCS jets for Mars-entry vehicles in hypersonic freestream conditions are investigated using computational fluid dynamics (CFD). The effects of central and peripheral PD configurations using both sonic and supersonic jets at various thrust conditions are examined in this dissertation. The RCS jet is directed either parallel or transverse to the freestream flow at different thrust conditions in order to examine the effects of the thruster orientation with respect to the center of gravity of the aeroshell. The physical accuracy of the computational method is also assessed by comparing the numerical results with available experimental data. The central PD configuration decreases the drag force acting on the entry capsule due to a shielding effect that prevents mass and momentum in the hypersonic freestream from reaching the aeroshell. The peripheral PD configuration also decreases the drag force by obstructing the flow around the aeroshell and creating low surface pressure regions downstream of the PD nozzles. The Mach number of the PD jets, however, does not have a significant effect on the induced fluid interactions. The reaction control system also alters the flowfield, surface, and aerodynamic properties of the aeroshell, while the jet orientation can have a significant effect on the control effectiveness of the RCS.

Beam orientation optimization for intensity-modulated radiation therapy using mixed integer programming

NASA Astrophysics Data System (ADS)

Yang, Ruijie; Dai, Jianrong; Yang, Yong; Hu, Yimin

2006-08-01

The purpose of this study is to extend an algorithm proposed for beam orientation optimization in classical conformal radiotherapy to intensity-modulated radiation therapy (IMRT) and to evaluate the algorithm's performance in IMRT scenarios. In addition, the effect of the candidate pool of beam orientations, in terms of beam orientation resolution and starting orientation, on the optimized beam configuration, plan quality and optimization time is also explored. The algorithm is based on the technique of mixed integer linear programming in which binary and positive float variables are employed to represent candidates for beam orientation and beamlet weights in beam intensity maps. Both beam orientations and beam intensity maps are simultaneously optimized in the algorithm with a deterministic method. Several different clinical cases were used to test the algorithm and the results show that both target coverage and critical structures sparing were significantly improved for the plans with optimized beam orientations compared to those with equi-spaced beam orientations. The calculation time was less than an hour for the cases with 36 binary variables on a PC with a Pentium IV 2.66 GHz processor. It is also found that decreasing beam orientation resolution to 10° greatly reduced the size of the candidate pool of beam orientations without significant influence on the optimized beam configuration and plan quality, while selecting different starting orientations had large influence. Our study demonstrates that the algorithm can be applied to IMRT scenarios, and better beam orientation configurations can be obtained using this algorithm. Furthermore, the optimization efficiency can be greatly increased through proper selection of beam orientation resolution and starting beam orientation while guaranteeing the optimized beam configurations and plan quality.

Using object-oriented analysis to design a multi-mission ground data system

NASA Technical Reports Server (NTRS)

Shames, Peter

1995-01-01

This paper describes an analytical approach and descriptive methodology that is adapted from Object-Oriented Analysis (OOA) techniques. The technique is described and then used to communicate key issues of system logical architecture. The essence of the approach is to limit the analysis to only service objects, with the idea of providing a direct mapping from the design to a client-server implementation. Key perspectives on the system, such as user interaction, data flow and management, service interfaces, hardware configuration, and system and data integrity are covered. A significant advantage of this service-oriented approach is that it permits mapping all of these different perspectives on the system onto a single common substrate. This services substrate is readily represented diagramatically, thus making details of the overall design much more accessible.

Architecture of a Fur Binding Site: a Comparative Analysis

PubMed Central

Lavrrar, Jennifer L.; McIntosh, Mark A.

2003-01-01

Fur is an iron-binding transcriptional repressor that recognizes a 19-bp consensus site of the sequence 5′-GATAATGATAATCATTATC-3′. This site can be defined as three adjacent hexamers of the sequence 5′-GATAAT-3′, with the third being slightly imperfect (an F-F-F configuration), or as two hexamers in the forward orientation separated by one base pair from a third hexamer in the reverse orientation (an F-F-x-R configuration). Although Fur can bind synthetic DNA sequences containing the F-F-F arrangement, most natural binding sites are variations of the F-F-x-R arrangement. The studies presented here compared the ability of Fur to recognize synthetic DNA sequences containing two to four adjacent hexamers with binding to sequences containing variations of the F-F-x-R arrangement (including natural operator sequences from the entS and fepB promoter regions of Escherichia coli). Gel retardation assays showed that the F-F-x-R architecture was necessary for high-affinity Fur-DNA interactions and that contiguous hexamers were not recognized as effectively. In addition, the stoichiometry of Fur at each binding site was determined, showing that Fur interacted with its minimal 19-bp binding site as two overlapping dimers. These data confirm the proposed overlapping-dimer binding model, where the unit of interaction with a single Fur dimer is two inverted hexamers separated by a C:G base pair, with two overlapping units comprising the 19-bp consensus binding site required for the high-affinity interaction with two Fur dimers. PMID:12644489

A new approach to configurable primary data collection.

PubMed

Stanek, J; Babkin, E; Zubov, M

2016-09-01

The formats, semantics and operational rules of data processing tasks in genomics (and health in general) are highly divergent and can rapidly change. In such an environment, the problem of consistent transformation and loading of heterogeneous input data to various target repositories becomes a critical success factor. The objective of the project was to design a new conceptual approach to configurable data transformation, de-identification, and submission of health and genomic data sets. Main motivation was to facilitate automated or human-driven data uploading, as well as consolidation of heterogeneous sources in large genomic or health projects. Modern methods of on-demand specialization of generic software components were applied. For specification of input-output data and required data collection activities, we propose a simple data model of flat tables as well as a domain-oriented graphical interface and portable representation of transformations in XML. Using such methods, the prototype of the Configurable Data Collection System (CDCS) was implemented in Java programming language with Swing graphical interfaces. The core logic of transformations was implemented as a library of reusable plugins. The solution is implemented as a software prototype for a configurable service-oriented system for semi-automatic data collection, transformation, sanitization and safe uploading to heterogeneous data repositories-CDCS. To address the dynamic nature of data schemas and data collection processes, the CDCS prototype facilitates interactive, user-driven configuration of the data collection process and extends basic functionality with a wide range of third-party plugins. Notably, our solution also allows for the reduction of manual data entry for data originally missing in the output data sets. First experiments and feedback from domain experts confirm the prototype is flexible, configurable and extensible; runs well on data owner's systems; and is not dependent on vendor's standards. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

The Mechanism of Word Crowding

PubMed Central

Yu, Deyue; Akau, Melanie M. U.; Chung, Susana T. L.

2011-01-01

Word reading speed in peripheral vision is slower when words are in close proximity of other words (Chung, 2004). This word crowding effect could arise as a consequence of interaction of low-level letter features between words, or the interaction between high-level holistic representations of words. We evaluated these two hypotheses by examining how word crowding changes for five configurations of flanking words: the control condition — flanking words were oriented upright; scrambled — letters in each flanking word were scrambled in order; horizontal-flip — each flanking word was the left-right mirror-image of the original; letter-flip — each letter of the flanking word was the left-right mirror-image of the original; and vertical-flip — each flanking word was the up-down mirror-image of the original. The low-level letter feature interaction hypothesis predicts similar word crowding effect for all the different flanker configurations, while the high-level holistic representation hypothesis predicts less word crowding effect for all the alternative flanker conditions, compared with the control condition. We found that oral reading speed for words flanked above and below by other words, measured at 10° eccentricity in the nasal field, showed the same dependence on the vertical separation between the target and its flanking words, for the various flanker configurations. The result was also similar when we rotated the flanking words by 90° to disrupt the periodic vertical pattern, which presumably is the main structure in words. The remarkably similar word crowding effect irrespective of the flanker configurations suggests that word crowding arises as a consequence of interactions of low-level letter features. PMID:22079315

Molecular origins of osmotic second virial coefficients of proteins.

PubMed Central

Neal, B L; Asthagiri, D; Lenhoff, A M

1998-01-01

The thermodynamic properties of protein solutions are determined by the molecular interactions involving both solvent and solute molecules. A quantitative understanding of the relationship would facilitate more systematic procedures for manipulating the properties in a process environment. In this work the molecular basis for the osmotic second virial coefficient, B22, is studied; osmotic effects are critical in membrane transport, and the value of B22 has also been shown to correlate with protein crystallization behavior. The calculations here account for steric, electrostatic, and short-range interactions, with the structural and functional anisotropy of the protein molecules explicitly accounted for. The orientational dependence of the protein interactions is seen to have a pronounced effect on the calculations; in particular, the relatively few protein-protein configurations in which the apposing surfaces display geometric complementarity contribute disproportionately strongly to B22. The importance of electrostatic interactions is also amplified in these high-complementarity configurations. The significance of molecular recognition in determining B22 can explain the correlation with crystallization behavior, and it suggests that alteration of local molecular geometry can help in manipulating protein solution behavior. The results also have implications for the role of protein interactions in biological self-organization. PMID:9788942

Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyl-diazen-1-yl)benzoate.

PubMed

Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher

2018-04-01

In the title compound, C 17 H 15 N 3 O 3 , the plane of the pyrrolidone ring is inclined at an angle of 59.791 (2)° to that of the azo-benzene segment, which adopts a configuration close to planar. In the crystal, mol-ecules are oriented pairwise by (2-oxopyrrolidin-3-yl)-oxy moieties at an angle of 76.257 (3)°, linked by hydrogen bonds and π-stacking inter-actions, forming zigzag supra-molecular chains parallel to [010] further linked via additional C-H⋯π inter-actions.

The effects of facial color and inversion on the N170 event-related potential (ERP) component.

PubMed

Minami, T; Nakajima, K; Changvisommid, L; Nakauchi, S

2015-12-17

Faces are important for social interaction because much can be perceived from facial details, including a person's race, age, and mood. Recent studies have shown that both configural (e.g. face shape and inversion) and surface information (e.g. surface color and reflectance properties) are important for face perception. Therefore, the present study examined the effects of facial color and inverted face properties on event-related potential (ERP) responses, particularly the N170 component. Stimuli consisted of natural and bluish-colored faces. Faces were presented in both upright and upside down orientations. An ANOVA was used to analyze N170 amplitudes and verify the effects of the main independent variables. Analysis of N170 amplitude revealed the significant interactions between stimulus orientation and color. Subsequent analysis indicated that N170 was larger for bluish-colored faces than natural-colored faces, and N170 to natural-colored faces was larger in response to inverted stimulus as compared to upright stimulus. Additionally, a multivariate pattern analysis (MVPA) investigated face-processing dynamics without any prior assumptions. Results distinguished, above chance, both facial color and orientation from single-trial electroencephalogram (EEG) signals. Decoding performance for color classification of inverted faces was significantly diminished as compared to an upright orientation. This suggests that processing orientation is predominant over facial color. Taken together, the present findings elucidate the temporal and spatial distribution of orientation and color processing during face processing. Copyright © 2015 IBRO. Published by Elsevier Ltd. All rights reserved.

MAVEN observations of complex magnetic field topology in the Martian magnetotail

NASA Astrophysics Data System (ADS)

DiBraccio, Gina A.; Espley, Jared R.; Luhmann, Janet G.; Curry, Shannon M.; Gruesbeck, Jacob R.; Connerney, John E. P.; Soobiah, Yasir; Xu, Shaosui; Mitchell, David M.; Harada, Yuki; Halekas, Jasper S.; Brain, David A.; Dong, Chuanfei; Hara, Takuya; Jakosky, Bruce M.

2017-04-01

MAVEN observations have revealed an unexpectedly complex magnetic field configuration in the magnetotail of Mars. This planetary magnetotail forms as the solar wind interacts with the Martian upper atmosphere and the interplanetary magnetic field (IMF) drapes around the planet. This interaction is classically defined as an induced magnetosphere similar to the plasma environments of Venus and comets. However, unlike at these induced magnetic environments, Mars is complicated by the existence of crustal magnetic fields, which are able to reconnect with the IMF to produce open magnetic fields. Preliminary magnetohydrodynamic simulation results have suggested that this magnetic reconnection may be responsible for creating a hybrid magnetotail configuration between intrinsic and induced magnetospheres. This hybrid tail is composed of the closed planetary fields, draped IMF, and two distinct lobes of open magnetic fields. More importantly, these open lobes appear to be twisted by roughly 45°, either clockwise or counterclockwise, from the ecliptic plane with a strong dependence on the east-west component of the IMF and negligible influence from crustal field orientation. To explore this unexpected twisted-tail configuration, we analyze MAVEN Magnetometer (MAG) and Solar Wind Ion Analyzer (SWIA) data to examine magnetic field topology in the Martian magnetotail. We compare the average magnetic field orientation, directed toward and away from the planet, for a variety of solar wind parameters at various downtail distances. We conclude that the east-west IMF component strongly affects the magnetotail structure, as predicted by simulations. Furthermore, these data reveal that the tail lobes are indeed twisted, which we infer based on model results, to be regions of open magnetic fields that are likely reconnected crustal fields. These MAVEN observations confirm that the Martian magnetotail has a hybrid configuration between an intrinsic and induced magnetosphere, shifting the paradigm of Mars as we have understood it thus far.

Key-lock colloids in a nematic liquid crystal.

PubMed

Silvestre, Nuno M; Tasinkevych, M

2017-01-01

The Landau-de Gennes free energy is used to study theoretically the effective interaction of spherical "key" and anisotropic "lock" colloidal particles. We assume identical anchoring properties of the surfaces of the key and of the lock particles, and we consider planar degenerate and perpendicular anchoring conditions separately. The lock particle is modeled as a spherical particle with a spherical dimple. When such a particle is introduced into a nematic liquid crystal, it orients its dimple at an oblique angle θ_{eq} with respect to the far field director n_{∞}. This angle depends on the depth of the dimple. Minimization results show that the free energy of a pair of key and lock particles exhibits a global minimum for the configuration when the key particle is facing the dimple of the lock colloidal particle. The preferred orientation ϕ_{eq} of the key-lock composite doublet relative to n_{∞} is robust against thermal fluctuations. The preferred orientation θ_{eq}^{(2)} of the dimple particle in the doublet is different from the isolated situation. This is related to the "direct" interaction of defects accompanying the key particle with the edge of the dimple. We propose that this nematic-amplified key-lock interaction can play an important role in self-organization and clustering of mixtures of colloidal particles with dimple colloids present.

Distinct Adsorption Configurations and Self-Assembly Characteristics of Fibrinogen on Chemically Uniform and Alternating Surfaces including Block Copolymer Nanodomains

PubMed Central

2015-01-01

Understanding protein–surface interactions is crucial to solid-state biomedical applications whose functionality is directly correlated with the precise control of the adsorption configuration, surface packing, loading density, and bioactivity of protein molecules. Because of the small dimensions and highly amphiphilic nature of proteins, investigation of protein adsorption performed on nanoscale topology can shed light on subprotein-level interaction preferences. In this study, we examine the adsorption and assembly behavior of a highly elongated protein, fibrinogen, on both chemically uniform (as-is and buffered HF-treated SiO2/Si, and homopolymers of polystyrene and poly(methyl methacrylate)) and varying (polystyrene-block-poly(methyl methacrylate)) surfaces. By focusing on high-resolution imaging of individual protein molecules whose configurations are influenced by protein–surface rather than protein–protein interactions, fibrinogen conformations characteristic to each surface are identified and statistically analyzed for structural similarities/differences in key protein domains. By exploiting block copolymer nanodomains whose repeat distance is commensurate with the length of the individual protein, we determine that fibrinogen exhibits a more neutral tendency for interaction with both polystyrene and poly(methyl methacrylate) blocks relative to the case of common globular proteins. Factors affecting fibrinogen–polymer interactions are discussed in terms of hydrophobic and electrostatic interactions. In addition, assembly and packing attributes of fibrinogen are determined at different loading conditions. Primary orientations of fibrinogen and its rearrangements with respect to the underlying diblock nanodomains associated with different surface coverage are explained by pertinent protein interaction mechanisms. On the basis of two-dimensional stacking behavior, a protein assembly model is proposed for the formation of an extended fibrinogen network on the diblock copolymer. PMID:24708538

Dual wire welding torch and method

DOEpatents

Diez, Fernando Martinez; Stump, Kevin S.; Ludewig, Howard W.; Kilty, Alan L.; Robinson, Matthew M.; Egland, Keith M.

2009-04-28

A welding torch includes a nozzle with a first welding wire guide configured to orient a first welding wire in a first welding wire orientation, and a second welding wire guide configured to orient a second welding wire in a second welding wire orientation that is non-coplanar and divergent with respect to the first welding wire orientation. A method of welding includes moving a welding torch with respect to a workpiece joint to be welded. During moving the welding torch, a first welding wire is fed through a first welding wire guide defining a first welding wire orientation and a second welding wire is fed through a second welding wire guide defining a second welding wire orientation that is divergent and non-coplanar with respect to the first welding wire orientation.

DETECTION OF TWO ISOMERIC BINDING CONFIGURATIONS IN A PROTEIN-APTAMER COMPLEX WITH A BIOLOGICAL NANOPORE

PubMed Central

Van Meervelt, Veerle; Soskine, Misha; Maglia, Giovanni

2015-01-01

Protein-DNA interactions play critical roles in biological systems, and they often involve complex mechanisms and dynamics that are not easily measured by ensemble experiments. Recently, we have shown that folded proteins can be internalised inside ClyA nanopores and studied by ionic current recordings at the single-molecule level. Here, we use ClyA nanopores to sample the interaction between the G-quadruplex fold of the thrombin binding aptamer (TBA) and human thrombin (HT). Surprisingly, the internalisation of the HT:TBA complex inside the nanopore induced two types of current blockades with distinguished residual current and lifetime. Using single nucleobase substitutions to TBA we showed that these two types of blockades originate from TBA binding to thrombin with two isomeric orientations. Voltage dependencies and the use of ClyA nanopores with two different diameters allowed assessing the effect of the applied potential and confinement, and revealed that the two binding configurations of TBA to HT display different lifetimes. These results show that the ClyA nanopores might provide a new approach to probe conformational heterogeneity in protein:DNA interactions. PMID:25493908

Objects and mappings: incompatible principles of display design - a critique of Marino and Mahan.

PubMed

Bennett, Kevin B

2005-01-01

Representation aiding (and similar approaches that share the general orientation) has a great deal of utility, predictive ability, and explanatory power. Marino and Mahan (2005) discuss principles that are critical to the RA approach (configurality, emergent features, and mappings) in a reasonable fashion. However, the application of these principles is far from reasonable. The authors explicitly realize the potential for interactions between nutrients: "The nutritional quality of a food product is a multidimensional concept, and higher order interactions between nutrients may exist" (p. 126). However, they made no effort to discover the nature of these interactions: "No attempt was made to identify contingent interactions between nutrients" (p. 126). Despite not knowing the nature of the interactions between nutrients, they purposely chose a highly configural display that produced numerous emergent features dependent upon these interactions: "A radial spoke display was selected because of the strong configural properties of such display formats (Bennett & Flach, 1992)" (p. 124). Finally, the authors show apparent disdain for the specific mappings among domain, agent, and display that are fundamental to the RA approach: "[O]ther configural display formats could have been used" (p. 124). It is impossible to reconcile these statements and the RA approach to display design. However, these statements make perfect sense if a perceptual object is a guiding principle in one's approach to display design. Marino and Mahan (2005) draw heavily upon the principle of a perceptual object in their design justifications, experimental predictions, and interpretations of results. As we have indicated here and elsewhere (Bennett & Flach, 1992), we believe that these two sets of organizing principles for display design (i.e., objects and mappings) are incompatible. Display design will never be an exact science; there will always be elements of art and creativity. However, the guiding principles have moved well beyond the simple strategy of throwing variables into a geometric object format and relying upon the human agent's powerful perceptual systems to carry the design.

The mechanism of word crowding.

PubMed

Yu, Deyue; Akau, Melanie M U; Chung, Susana T L

2012-01-01

Word reading speed in peripheral vision is slower when words are in close proximity of other words (Chung, 2004). This word crowding effect could arise as a consequence of interaction of low-level letter features between words, or the interaction between high-level holistic representations of words. We evaluated these two hypotheses by examining how word crowding changes for five configurations of flanking words: the control condition - flanking words were oriented upright; scrambled - letters in each flanking word were scrambled in order; horizontal-flip - each flanking word was the left-right mirror-image of the original; letter-flip - each letter of the flanking word was the left-right mirror-image of the original; and vertical-flip - each flanking word was the up-down mirror-image of the original. The low-level letter feature interaction hypothesis predicts similar word crowding effect for all the different flanker configurations, while the high-level holistic representation hypothesis predicts less word crowding effect for all the alternative flanker conditions, compared with the control condition. We found that oral reading speed for words flanked above and below by other words, measured at 10° eccentricity in the nasal field, showed the same dependence on the vertical separation between the target and its flanking words, for the various flanker configurations. The result was also similar when we rotated the flanking words by 90° to disrupt the periodic vertical pattern, which presumably is the main structure in words. The remarkably similar word crowding effect irrespective of the flanker configurations suggests that word crowding arises as a consequence of interactions of low-level letter features. Copyright © 2011 Elsevier Ltd. All rights reserved.

Component Fixturing Method

NASA Technical Reports Server (NTRS)

Kling, Daniel (Inventor)

2014-01-01

An end-configuration of components to be moved or positioned is first obtained. This end-configuration determines the relative positioning and orientation of the components with respect to each other when in a final, desired configuration. A folding pattern is then obtained that is formed by interior vertices defining corresponding tessellation facets. The folding pattern can be induced to transition from a first folded configuration to a second folded configuration. When in the second folded configuration mounting facets, which are a subset of the tessellation facets, are arranged by the geometry of the folding pattern into positions and orientations with respect to each other that correspond to the end-configuration of the components. A foldable structure is then obtained that folds in accordance with the folding pattern, and the components are affixed to their respective mounting facets.

Neck formation and deformation effects in a preformed cluster model of exotic cluster decays

NASA Astrophysics Data System (ADS)

Kumar, Satish; Gupta, Raj K.

1997-01-01

Using the nuclear proximity approach and the two center nuclear shape parametrization, the interaction potential between two deformed and pole-to-pole oriented nuclei forming a necked configuration in the overlap region is calculated and its role is studied for the cluster decay half-lives. The barrier is found to move to a larger relative separation, with its proximity minimum lying in the neighborhood of the Q value of decay and its height and width reduced considerably. For cluster decay calculations in the preformed cluster model of Malik and Gupta, due to deformations and orientations of nuclei, the (empirical) preformation factor is found to get reduced considerably and agrees nicely with other model calculations known to be successful for their predictions of cluster decay half-lives. Comparison with the earlier case of nuclei treated as spheres suggests that the effects of both deformations and neck formation get compensated by choosing the position of cluster preformation and the inner classical turning point for penetrability calculations at the touching configuration of spherical nuclei.

A Methodology for Investigating Adaptive Postural Control

NASA Technical Reports Server (NTRS)

McDonald, P. V.; Riccio, G. E.

1999-01-01

Our research on postural control and human-environment interactions provides an appropriate scientific foundation for understanding the skill of mass handling by astronauts in weightless conditions (e.g., extravehicular activity or EVA). We conducted an investigation of such skills in NASA's principal mass-handling simulator, the Precision Air-Bearing Floor, at the Johnson Space Center. We have studied skilled movement-body within a multidisciplinary context that draws on concepts and methods from biological and behavioral sciences (e.g., psychology, kinesiology and neurophysiology) as well as bioengineering. Our multidisciplinary research has led to the development of measures, for manual interactions between individuals and the substantial environment, that plausibly are observable by human sensory systems. We consider these methods to be the most important general contribution of our EVA investigation. We describe our perspective as control theoretic because it draws more on fundamental concepts about control systems in engineering than it does on working constructs from the subdisciplines of biomechanics and motor control in the bio-behavioral sciences. At the same time, we have attempted to identify the theoretical underpinnings of control-systems engineering that are most relevant to control by human beings. We believe that these underpinnings are implicit in the assumptions that cut across diverse methods in control-systems engineering, especially the various methods associated with "nonlinear control", "fuzzy control," and "adaptive control" in engineering. Our methods are based on these theoretical foundations rather than on the mathematical formalisms that are associated with particular methods in control-systems engineering. The most important aspects of the human-environment interaction in our investigation of mass handling are the functional consequences that body configuration and stability have for the pick up of information or the achievement of overt goals. It follows that an essential characteristic of postural behavior is the effective maintenance of the orientation and stability of the sensory and motor "platforms" (e.g., head or shoulders) over variations in the human, the environment and the task. This general skill suggests that individuals should be sensitive to the functional consequences of body configuration and stability. In other words, individuals should perceive the relation between configuration, stability, and performance so that they can adaptively control their interaction with the surroundings. Human-environment interactions constitute robust systems in that individuals can maintain the stability of such interactions over uncertainty about and variations in the dynamics of the interaction. Robust interactions allow individuals to adopt orientations and configurations that are not optimal with respect to purely energetic criteria. Individuals can tolerate variation in postural states, and such variation can serve an important function in adaptive systems. Postural variability generates stimulation which is "textured" by the dynamics of the human-environment system. The texture or structure in stimulation provides information about variation in dynamics, and such information can be sufficient to guide adaption in control strategies. Our method were designed to measure informative patterns of movement variability.

Applications technology satellite advanced missions study, volume 1

NASA Technical Reports Server (NTRS)

Robinson, D. L.

1972-01-01

Four different spacecraft configurations were developed for geostationary service as a high power communications satellite. The first configuration is a Thor-Delta launch into a low orbit with a spiral ascent to synchronous altitude by ion engine propulsion. The spacecraft is earth oriented with rotating solar arrays. Configuration 2 is a direct injection Atlas/Centaur/Burner II vehicle which when in orbit is sun-oriented with a rotating transponder tower. Configurations 3 and 4 are Titan IIIC launches, and are therefore larger and heavier than Configuration 2. They are both sun-oriented, with rotating transponder towers and are directly injected into orbit. Technology discussed includes high power (up to 2 kW) transmitters with collectors radiating heat directly into space, and contoured antenna patterns designed to illuminate particular earth regions. There is also a review of potential users of the services which can be performed by this type satellite in such areas as information networking, public broadcasting and educational television.

Orientation-free and differentially pumped addition of a low-flux reactive gas beam to a surface analysis system.

PubMed

Harthcock, Colin; Jahanbekam, Abdolreza; Eskelsen, Jeremy R; Lee, David Y

2016-11-01

We describe an example of a piecewise gas chamber that can be customized to incorporate a low flux of gas-phase radicals with an existing surface analysis chamber for in situ and stepwise gas-surface interaction experiments without any constraint in orientation. The piecewise nature of this gas chamber provides complete angular freedom and easy alignment and does not require any modification of the existing surface analysis chamber. In addition, the entire gas-surface system is readily differentially pumped with the surface chamber kept under ultra-high-vacuum during the gas-surface measurements. This new design also allows not only straightforward reconstruction to accommodate the orientation of different surface chambers but also for the addition of other desired features, such as an additional pump to the current configuration. Stepwise interaction between atomic oxygen and a highly ordered pyrolytic graphite surface was chosen to test the effectiveness of this design, and the site-dependent O-atom chemisorption and clustering on the graphite surface were resolved by a scanning tunneling microscope in the nm-scale. X-ray photoelectron spectroscopy was used to further confirm the identity of the chemisorbed species on the graphite surface as oxygen.

Synthesis and Photochromic Properties of Configurationally Varied Azobenzene Glycosides

PubMed Central

Chandrasekaran, Vijayanand; Johannes, Eugen; Kobarg, Hauke; Sönnichsen, Frank D; Lindhorst, Thisbe K

2014-01-01

Spatial orientation of carbohydrates is a meaningful parameter in carbohydrate recognition processes. To vary orientation of sugars with temporal and spatial resolution, photosensitive glycoconjugates with favorable photochromic properties appear to be opportune. Here, a series of azobenzene glycosides were synthesized, employing glycoside synthesis and Mills reaction, to allow “switching” of carbohydrate orientation by reversible E/Z isomerization of the azobenzene N=N double bond. Their photochromic properties were tested and effects of azobenzene substitution as well as the effect of anomeric configuration and the orientation of the sugars 2-hydroxy group were evaluated. PMID:25050228

Excitonic quantum interference in a quantum dot chain with rings.

PubMed

Hong, Suc-Kyoung; Nam, Seog Woo; Yeon, Kyu-Hwang

2008-04-16

We demonstrate excitonic quantum interference in a closely spaced quantum dot chain with nanorings. In the resonant dipole-dipole interaction model with direct diagonalization method, we have found a peculiar feature that the excitation of specified quantum dots in the chain is completely inhibited, depending on the orientational configuration of the transition dipole moments and specified initial preparation of the excitation. In practice, these excited states facilitating quantum interference can provide a conceptual basis for quantum interference devices of excitonic hopping.

Analysis of Multiple Cracks in an Infinite Functionally Graded Plate

NASA Technical Reports Server (NTRS)

Shbeeb, N. I.; Binienda, W. K.; Kreider, K. L.

1999-01-01

A general methodology was constructed to develop the fundamental solution for a crack embedded in an infinite non-homogeneous material in which the shear modulus varies exponentially with the y coordinate. The fundamental solution was used to generate a solution to fully interactive multiple crack problems for stress intensity factors and strain energy release rates. Parametric studies were conducted for two crack configurations. The model displayed sensitivity to crack distance, relative angular orientation, and to the coefficient of nonhomogeneity.

The use of ERTS imagery in reservoir management and operation

NASA Technical Reports Server (NTRS)

Cooper, S. (Principal Investigator)

1973-01-01

There are no author-identified significant results in this report. Preliminary analysis of ERTS-1 imagery suggests that the configuration and areal coverage of surface waters, as well as other hydrologically related terrain features, may be obtained from ERTS-1 imagery to an extent that would be useful. Computer-oriented pattern recognition techniques are being developed to help automate the identification and analysis of hydrologic features. Considerable man-machine interaction is required while training the computer for these tasks.

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

Ghamarian, Iman, E-mail: imanghamarian@yahoo.com; Department of Materials Science and Engineering, University of North Texas, Denton, TX 76203; Samimi, Peyman

The presence and interaction of nanotwins, geometrically necessary dislocations, and grain boundaries play a key role in the mechanical properties of nanostructured crystalline materials. Therefore, it is vital to determine the orientation, width and distance of nanotwins, the angle and axis of grain boundary misorientations as well as the type and the distributions of dislocations in an automatic and statistically meaningful fashion in a relatively large area. In this paper, such details are provided using a transmission electron microscope-based orientation microscopy technique called ASTAR™/precession electron diffraction. The remarkable spatial resolution of this technique (~ 2 nm) enables highly detailed characterizationmore » of nanotwins, grain boundaries and the configuration of dislocations. This orientation microscopy technique provides the raw data required for the determination of these parameters. The procedures to post-process the ASTAR™/PED datasets in order to obtain the important (and currently largely hidden) details of nanotwins as well as quantifications of dislocation density distributions are described in this study. - Highlights: • EBSD cannot characterize defects such as dislocations, grain boundaries and nanotwins in severely deformed metals. • TEM based orientation microscopy technique called ASTAR™/PED was used to resolve the problem. • Locations and orientations of nanotwins, dislocation density distribution and grain boundary characters can be resolved. • This work provides the bases for further studies on the interactions between dislocations, grain boundaries and nanotwins. • The computation part is explained sufficiently which helps the readers to post process their own data.« less

Stimulus homogeneity enhances implicit learning: evidence from contextual cueing.

PubMed

Feldmann-Wüstefeld, Tobias; Schubö, Anna

2014-04-01

Visual search for a target object is faster if the target is embedded in a repeatedly presented invariant configuration of distractors ('contextual cueing'). It has also been shown that the homogeneity of a context affects the efficiency of visual search: targets receive prioritized processing when presented in a homogeneous context compared to a heterogeneous context, presumably due to grouping processes at early stages of visual processing. The present study investigated in three Experiments whether context homogeneity also affects contextual cueing. In Experiment 1, context homogeneity varied on three levels of the task-relevant dimension (orientation) and contextual cueing was most pronounced for context configurations with high orientation homogeneity. When context homogeneity varied on three levels of the task-irrelevant dimension (color) and orientation homogeneity was fixed, no modulation of contextual cueing was observed: high orientation homogeneity led to large contextual cueing effects (Experiment 2) and low orientation homogeneity led to low contextual cueing effects (Experiment 3), irrespective of color homogeneity. Enhanced contextual cueing for homogeneous context configurations suggest that grouping processes do not only affect visual search but also implicit learning. We conclude that memory representation of context configurations are more easily acquired when context configurations can be processed as larger, grouped perceptual units. However, this form of implicit perceptual learning is only improved by stimulus homogeneity when stimulus homogeneity facilitates grouping processes on a dimension that is currently relevant in the task. Copyright © 2014 Elsevier B.V. All rights reserved.

The face evoked steady-state visual potentials are sensitive to the orientation, viewpoint, expression and configuration of the stimuli.

PubMed

Vakli, Pál; Németh, Kornél; Zimmer, Márta; Kovács, Gyula

2014-12-01

Previous studies demonstrated that the steady-state visual-evoked potential (SSVEP) is reduced to the repetition of the same identity face when compared with the presentation of different identities, suggesting high-level neural adaptation to face identity. Here we investigated whether the SSVEP is sensitive to the orientation, viewpoint, expression and configuration of faces (Experiment 1), and whether adaptation to identity at the level of the SSVEP is robust enough to generalize across these properties (Experiment 2). In Experiment 1, repeating the same identity face with continuously changing orientation, viewpoint or expression evoked a larger SSVEP than the repetition of an unchanged face, presumably reflecting a release of adaptation. A less robust effect was observed in the case of changes affecting face configuration. In Experiment 2, we found a similar release of adaptation for faces with changing orientation, viewpoint and configuration, as there was no difference between the SSVEP for the same and different identity faces. However, we found an adaptation effect for faces with changing expressions, suggesting that face identity coding, as reflected in the SSVEP, is largely independent of the emotion displayed by faces. Taken together, these results imply that the SSVEP taps high-level face representations which abstract away from the changeable aspects of the face and likely incorporate information about face configuration, but which are specific to the orientation and viewpoint of the face. Copyright © 2014 Elsevier B.V. All rights reserved.

Temporal Patterns of Variable Relationships in Person-Oriented Research: Longitudinal Models of Configural Frequency Analysis

ERIC Educational Resources Information Center

von Eye, Alexander; Mun, Eun Young; Bogat, G. Anne

2008-01-01

This article reviews the premises of configural frequency analysis (CFA), including methods of choosing significance tests and base models, as well as protecting [alpha], and discusses why CFA is a useful approach when conducting longitudinal person-oriented research. CFA operates at the manifest variable level. Longitudinal CFA seeks to identify…

Empirical study on social groups in pedestrian evacuation dynamics

NASA Astrophysics Data System (ADS)

von Krüchten, Cornelia; Schadschneider, Andreas

2017-06-01

Pedestrian crowds often include social groups, i.e. pedestrians that walk together because of social relationships. They show characteristic configurations and influence the dynamics of the entire crowd. In order to investigate the impact of social groups on evacuations we performed an empirical study with pupils. Several evacuation runs with groups of different sizes and different interactions were performed. New group parameters are introduced which allow to describe the dynamics of the groups and the configuration of the group members quantitatively. The analysis shows a possible decrease of evacuation times for large groups due to self-ordering effects. Social groups can be approximated as ellipses that orientate along their direction of motion. Furthermore, explicitly cooperative behaviour among group members leads to a stronger aggregation of group members and an intermittent way of evacuation.

Deep brain transcranial magnetic stimulation using variable "Halo coil" system

NASA Astrophysics Data System (ADS)

Meng, Y.; Hadimani, R. L.; Crowther, L. J.; Xu, Z.; Qu, J.; Jiles, D. C.

2015-05-01

Transcranial Magnetic Stimulation has the potential to treat various neurological disorders non-invasively and safely. The "Halo coil" configuration can stimulate deeper regions of the brain with lower surface to deep-brain field ratio compared to other coil configurations. The existing "Halo coil" configuration is fixed and is limited in varying the site of stimulation in the brain. We have developed a new system based on the current "Halo coil" design along with a graphical user interface system that enables the larger coil to rotate along the transverse plane. The new system can also enable vertical movement of larger coil. Thus, this adjustable "Halo coil" configuration can stimulate different regions of the brain by adjusting the position and orientation of the larger coil on the head. We have calculated magnetic and electric fields inside a MRI-derived heterogeneous head model for various positions and orientations of the coil. We have also investigated the mechanical and thermal stability of the adjustable "Halo coil" configuration for various positions and orientations of the coil to ensure safe operation of the system.

Flow resistance dynamics in step‐pool stream channels: 1. Large woody debris and controls on total resistance

USGS Publications Warehouse

Wilcox, Andrew C.; Wohl, Ellen E.

2006-01-01

Flow resistance dynamics in step‐pool channels were investigated through physical modeling using a laboratory flume. Variables contributing to flow resistance in step‐pool channels were manipulated in order to measure the effects of various large woody debris (LWD) configurations, steps, grains, discharge, and slope on total flow resistance. This entailed nearly 400 flume runs, organized into a series of factorial experiments. Factorial analyses of variance indicated significant two‐way and three‐way interaction effects between steps, grains, and LWD, illustrating the complexity of flow resistance in these channels. Interactions between steps and LWD resulted in substantially greater flow resistance for steps with LWD than for steps lacking LWD. LWD position contributed to these interactions, whereby LWD pieces located near the lip of steps, analogous to step‐forming debris in natural channels, increased the effective height of steps and created substantially higher flow resistance than pieces located farther upstream on step treads. Step geometry and LWD density and orientation also had highly significant effects on flow resistance. Flow resistance dynamics and the resistance effect of bed roughness configurations were strongly discharge‐dependent; discharge had both highly significant main effects on resistance and highly significant interactions with all other variables.

Lower Bound on the Mean Square Displacement of Particles in the Hard Disk Model

NASA Astrophysics Data System (ADS)

Richthammer, Thomas

2016-08-01

The hard disk model is a 2D Gibbsian process of particles interacting via pure hard core repulsion. At high particle density the model is believed to show orientational order, however, it is known not to exhibit positional order. Here we investigate to what extent particle positions may fluctuate. We consider a finite volume version of the model in a box of dimensions 2 n × 2 n with arbitrary boundary configuration, and we show that the mean square displacement of particles near the center of the box is bounded from below by c log n. The result generalizes to a large class of models with fairly arbitrary interaction.

Effect of mobile ions on the electric field needed to orient charged diblock copolymer thin films

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

Dehghan, Ashkan; Shi, An-Chang; Schick, M.

We examine the behavior of lamellar phases of charged/neutral diblock copolymer thin films containing mobile ions in the presence of an external electric field. We employ self-consistent field theory and focus on the aligning effect of the electric field on the lamellae. Of particular interest are the effects of the mobile ions on the critical field, the value required to reorient the lamellae from the parallel configuration favored by the surface interaction to the perpendicular orientation favored by the field. We find that the critical field depends strongly on whether the neutral or charged species is favored by the substrates.more » In the case in which the neutral species is favored, the addition of charges decreases the critical electric field significantly. The effect is greater when the mobile ions are confined to the charged lamellae. In contrast, when the charged species is favored by the substrate, the addition of mobile ions stabilizes the parallel configuration and thus results in an increase in the critical electric field. The presence of ions in the system introduces a new mixed phase in addition to those reported previously.« less

Combining local and global limitations of visual search.

PubMed

Põder, Endel

2017-04-01

There are different opinions about the roles of local interactions and central processing capacity in visual search. This study attempts to clarify the problem using a new version of relevant set cueing. A central precue indicates two symmetrical segments (that may contain a target object) within a circular array of objects presented briefly around the fixation point. The number of objects in the relevant segments, and density of objects in the array were varied independently. Three types of search experiments were run: (a) search for a simple visual feature (color, size, and orientation); (b) conjunctions of simple features; and (c) spatial configuration of simple features (rotated Ts). For spatial configuration stimuli, the results were consistent with a fixed global processing capacity and standard crowding zones. For simple features and their conjunctions, the results were different, dependent on the features involved. While color search exhibits virtually no capacity limits or crowding, search for an orientation target was limited by both. Results for conjunctions of features can be partly explained by the results from the respective features. This study shows that visual search is limited by both local interference and global capacity, and the limitations are different for different visual features.

A Comparative Study of Simulated and Measured Gear-Flap Flow Interaction

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Mineck, Raymond E.; Yao, Chungsheng; Jenkins, Luther N.; Fares, Ehab

2015-01-01

The ability of two CFD solvers to accurately characterize the transient, complex, interacting flowfield asso-ciated with a realistic gear-flap configuration is assessed via comparison of simulated flow with experimental measurements. The simulated results, obtained with NASA's FUN3D and Exa's PowerFLOW® for a high-fidelity, 18% scale semi-span model of a Gulfstream aircraft in landing configuration (39 deg flap deflection, main landing gear on and off) are compared to two-dimensional and stereo particle image velocimetry measurements taken within the gear-flap flow interaction region during wind tunnel tests of the model. As part of the bench-marking process, direct comparisons of the mean and fluctuating velocity fields are presented in the form of planar contour plots and extracted line profiles at measurement planes in various orientations stationed in the main gear wake. The measurement planes in the vicinity of the flap side edge and downstream of the flap trailing edge are used to highlight the effects of gear presence on tip vortex development and the ability of the computational tools to accurately capture such effects. The present study indicates that both computed datasets contain enough detail to construct a relatively accurate depiction of gear-flap flow interaction. Such a finding increases confidence in using the simulated volumetric flow solutions to examine the behavior of pertinent aer-odynamic mechanisms within the gear-flap interaction zone.

Transcranial current stimulation focality using disc and ring electrode configurations: FEM analysis

NASA Astrophysics Data System (ADS)

Datta, Abhishek; Elwassif, Maged; Battaglia, Fortunato; Bikson, Marom

2008-06-01

We calculated the electric fields induced in the brain during transcranial current stimulation (TCS) using a finite-element concentric spheres human head model. A range of disc electrode configurations were simulated: (1) distant-bipolar; (2) adjacent-bipolar; (3) tripolar; and three ring designs, (4) belt, (5) concentric ring, and (6) double concentric ring. We compared the focality of each configuration targeting cortical structures oriented normal to the surface ('surface-radial' and 'cross-section radial'), cortical structures oriented along the brain surface ('surface-tangential' and 'cross-section tangential') and non-oriented cortical surface structures ('surface-magnitude' and 'cross-section magnitude'). For surface-radial fields, we further considered the 'polarity' of modulation (e.g. superficial cortical neuron soma hyper/depolarizing). The distant-bipolar configuration, which is comparable with commonly used TCS protocols, resulted in diffuse (un-focal) modulation with bi-directional radial modulation under each electrode and tangential modulation between electrodes. Increasing the proximity of the two electrodes (adjacent-bipolar electrode configuration) increased focality, at the cost of more surface current. At similar electrode distances, the tripolar-electrodes configuration produced comparable peak focality, but reduced radial bi-directionality. The concentric-ring configuration resulted in the highest spatial focality and uni-directional radial modulation, at the expense of increased total surface current. Changing ring dimensions, or use of two concentric rings, allow titration of this balance. The concentric-ring design may thus provide an optimized configuration for targeted modulation of superficial cortical neurons.

Coarse-grained model for colloidal protein interactions, B(22), and protein cluster formation.

PubMed

Blanco, Marco A; Sahin, Erinc; Robinson, Anne S; Roberts, Christopher J

2013-12-19

Reversible protein cluster formation is an important initial step in the processes of native and non-native protein aggregation, but involves relatively long time and length scales for detailed atomistic simulations and extensive mapping of free energy landscapes. A coarse-grained (CG) model is presented to semiquantitatively characterize the thermodynamics and key configurations involved in the landscape for protein oligomerization, as well as experimental measures of interactions such as the osmotic second virial coefficient (B22). Based on earlier work (Grüenberger et al., J. Phys. Chem. B 2013, 117, 763), this CG model treats proteins as rigid bodies composed of one bead per amino acid, with each amino acid having specific parameters for its size, hydrophobicity, and charge. The net interactions are a combination of steric repulsions, short-range attractions, and screened long-range charge-charge interactions. Model parametrization was done by fitting simulation results against experimental value of B22 as a function of solution ionic strength for α-chymotrypsinogen A and γD-Crystallin (gD-Crys). The CG model is applied to characterize the pairwise interactions and dimerization of gD-Crys and the dependence on temperature, protein concentration, and ionic strength. The results illustrate that at experimentally relevant conditions where stable dimers do not form, the entropic contributions are predominant in the free-energy of protein cluster formation and colloidal protein interactions, arguing against interpretations that treat B22 primarily from energetic considerations alone. Additionally, the results suggest that electrostatic interactions help to modulate the population of the different stable configurations for protein nearest-neighbor pairs, while short-range attractions determine the relative orientations of proteins within these configurations. Finally, simulation results are combined with Principal Component Analysis to identify those amino-acids/surface patches that form interprotein contacts at conditions that favor dimerization of gD-Crys. The resulting regions agree with previously found aggregation-prone sites, as well as suggesting new ones that may be important.

Coarse-Grained Model for Colloidal Protein Interactions, B22, and Protein Cluster Formation

PubMed Central

Blanco, Marco A.; Sahin, Eric; Robinson, Anne S.; Roberts, Christopher J.

2014-01-01

Reversible protein cluster formation is an important initial step in the processes of native and non-native protein aggregation, but involves relatively long time and length scales for detailed atomistic simulations and extensive mapping of free energy landscapes. A coarse-grained (CG) model is presented to semi-quantitatively characterize the thermodynamics and key configurations involved in the landscape for protein oligomerization, as well as experimental measures of interactions such as the osmotic second virial coefficient (B22). Based on earlier work, this CG model treats proteins as rigid bodies composed of one bead per amino acid, with each amino acid having specific parameters for its size, hydrophobicity, and charge. The net interactions are a combination of steric repulsions, short-range attractions, and screened long-range charge-charge interactions. Model parametrization was done by fitting simulation results against experimental values of the B22 as a function of solution ionic strength for α-chymotrypsinogen A and γD-crystallin (gD-Crys). The CG model is applied to characterize the pairwise interactions and dimerization of gD-Crys and the dependance on temperature, protein concentration, and ionic strength. The results illustrate that at experimentally relevant conditions where stable dimers do not form, the entropic contributions are predominant in the free-energy of protein cluster formation and colloidal protein interactions, arguing against interpretations that treat B22 primarily from energetic considerations alone. Additionally, the results suggest that electrostatic interactions help to modulate the population of the different stable configurations for protein nearest-neighbor pairs, while short-range attractions determine the relative orientations of proteins within these configurations. Finally, simulation results are combined with Principal Component Analysis to identify those amino-acids / surface patches that form inter-protein contacts at conditions that favor dimerization of gD-Crys. The resulting regions agree with previously found aggregation-prone sites, as well as suggesting new ones that may be important. PMID:24289039

Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes.

PubMed

Do, D D; Do, H D; Wongkoblap, A; Nicholson, D

2008-12-28

The Henry constant and the isosteric heat of adsorption at zero loading in a carbon nanotube bundle are studied with Monte Carlo integration for the adsorption of gases over a range of temperatures. The spacing between nanotubes in a bundle is determined from the minimization of potential energy of interaction between these tubes. We study different tube configurations with bundles of 2, 3, 4 and 7 tubes. Depending on the configuration it is found that the spacing is of between 0.31 to 0.333 nm, and this falls within the range reported in the literature. The Henry constant has been carefully defined so that it will not become negative at high temperatures. This is done with the aid of accessible volume, rather than the usual absolute void volume. We show that linearity of the van't Hoff plot for the Henry constant is not strictly followed. Furthermore the slope of this plot is not equal to the isosteric heat of adsorption at zero loading, which is found to be a strong function of temperature. From the results we find that the Henry constant and the heat of adsorption depend on the tube configuration. In general the adsorption in the cusp interstices is strongest followed by that inside the tube and finally on the outer surface. However for very small tubes adsorption occurs inside the tube first. For molecules with orientation, the behaviour is even more interesting and the shape of the isosteric heat versus temperature depends on the degree of orientation, tube configuration and the domain of adsorption (interstices, inside the tube and on the outer surface).

Comparative life cycle assessment of biogas plant configurations for a demand oriented biogas supply for flexible power generation.

PubMed

Hahn, Henning; Hartmann, Kilian; Bühle, Lutz; Wachendorf, Michael

2015-03-01

The environmental performance of biogas plant configurations for a demand - oriented biogas supply for flexible power generation is comparatively assessed in this study. Those configurations indicate an increased energy demand to operate the operational enhancements compared to conventional biogas plants supplying biogas for baseload power generation. However, findings show that in contrast to an alternative supply of power generators with natural gas, biogas supplied on demand by adapted biogas plant configurations saves greenhouse gas emissions by 54-65 g CO(2-eq) MJ(-1) and primary energy by about 1.17 MJ MJ(-1). In this regard, configurations with flexible biogas production profit from reduced biogas storage requirements and achieve higher savings compared to configurations with continuous biogas production. Using thicker biogas storage sheeting material reduces the methane permeability of up to 6m(3) d(-1) which equals a reduction of 8% of the configuration's total methane emissions. Copyright © 2014 Elsevier Ltd. All rights reserved.

Note: Modification of the Gay-Berne potential for improved accuracy and speed

NASA Astrophysics Data System (ADS)

Persson, Rasmus A. X.

2012-06-01

A modification of the Gay-Berne (GB) potential is proposed which is about 10% to 20% more speed efficient and statistically more accurate in reproducing the energy of interaction of two linear Lennard-Jones tetratomics when averaged over all orientations. For the special cases of end-to-end and side-by-side configurations, the new potential is equivalent to the GB one. A simple generalization to dissimilar particles of D∞h symmetry is presented but does not retain the superior agreement with respect to its GB counterpart, except at close range.

Electrohydrodynamic interaction of spherical particles under Quincke rotation.

PubMed

Das, Debasish; Saintillan, David

2013-04-01

Weakly conducting dielectric particles suspended in a dielectric liquid of higher conductivity can undergo a transition to spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions, whose effective viscosity can be controlled and reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions, discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation, we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between two identical spheres using the method of reflections. A coupled system of evolution equations for the dipole moments and angular velocities of the spheres is derived that accounts for electric dipole-dipole interactions and hydrodynamic rotlet interactions up to order O(R(-5)), where R is the separation distance between the spheres. A linear stability analysis of this system shows that interactions modify the value of the critical electric field for the onset of Quincke rotation: both electric and hydrodynamic interactions can either stabilize or destabilize the system depending on the orientation of the spheres, but the leading effect of interactions on the onset of rotation is hydrodynamic. We also analyze the dynamics in the nonlinear regime by performing numerical simulations of the governing equations. In the case of a pair of spheres that are fixed in space, we find that particle rotations always synchronize in magnitude at long times, though the directions of rotation of the spheres need not be the same. The steady-state angular velocity magnitude depends on the configuration of the spheres and electric field strength and agrees very well with an asymptotic estimate derived for corotating spheres. In the case of freely-suspended spheres, dipolar interactions are observed to lead to a number of distinct behaviors depending on the initial relative configuration of the spheres and on any infinitesimal initial perturbation introduced in the system: in some cases the spheres slowly separate in space while steadily rotating, while in other cases they pair up and either corotate or counterrotate depending on their orientation relative to the field.

Electrohydrodynamic interaction of spherical particles under Quincke rotation

NASA Astrophysics Data System (ADS)

Das, Debasish; Saintillan, David

2013-04-01

Weakly conducting dielectric particles suspended in a dielectric liquid of higher conductivity can undergo a transition to spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions, whose effective viscosity can be controlled and reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions, discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation, we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between two identical spheres using the method of reflections. A coupled system of evolution equations for the dipole moments and angular velocities of the spheres is derived that accounts for electric dipole-dipole interactions and hydrodynamic rotlet interactions up to order O(R-5), where R is the separation distance between the spheres. A linear stability analysis of this system shows that interactions modify the value of the critical electric field for the onset of Quincke rotation: both electric and hydrodynamic interactions can either stabilize or destabilize the system depending on the orientation of the spheres, but the leading effect of interactions on the onset of rotation is hydrodynamic. We also analyze the dynamics in the nonlinear regime by performing numerical simulations of the governing equations. In the case of a pair of spheres that are fixed in space, we find that particle rotations always synchronize in magnitude at long times, though the directions of rotation of the spheres need not be the same. The steady-state angular velocity magnitude depends on the configuration of the spheres and electric field strength and agrees very well with an asymptotic estimate derived for corotating spheres. In the case of freely-suspended spheres, dipolar interactions are observed to lead to a number of distinct behaviors depending on the initial relative configuration of the spheres and on any infinitesimal initial perturbation introduced in the system: in some cases the spheres slowly separate in space while steadily rotating, while in other cases they pair up and either corotate or counterrotate depending on their orientation relative to the field.

Study of design and control of remote manipulators. Modeling manipulator arms with distributed flexibility for design and control

NASA Technical Reports Server (NTRS)

Book, W. J.

1974-01-01

The interactions of control system and distributed flexible structural dynamics is explored for mechanical arms. A modeling process using 4 x 4 transfer matrices is described which permits the closed loop response of many current arm configurations to be evaluated. Root locus, frequency response, modal shapes, and time impulse response have all been obtained from the digital computer implementation of this model, which is oriented to arm design and allows for easy variation of the arm configuration through data cards. The model corresponds with experimentally observed natural frequencies with an average error of less than 5% in the first three flexible modes in the seven cases considered. The model was used to explore the limits imposed by structural flexibility on a nondimensionalized two link arm with one and two joints for planar motion.

Internal model of gravity influences configural body processing.

PubMed

Barra, Julien; Senot, Patrice; Auclair, Laurent

2017-01-01

Human bodies are processed by a configural processing mechanism. Evidence supporting this claim is the body inversion effect, in which inversion impairs recognition of bodies more than other objects. Biomechanical configuration, as well as both visual and embodied expertise, has been demonstrated to play an important role in this effect. Nevertheless, the important factor of body inversion effect may also be linked to gravity orientation since gravity is one of the most fundamental constraints of our biology, behavior, and perception on Earth. The visual presentation of an inverted body in a typical body inversion paradigm turns the observed body upside down but also inverts the implicit direction of visual gravity in the scene. The orientation of visual gravity is then in conflict with the direction of actual gravity and may influence configural processing. To test this hypothesis, we dissociated the orientations of the body and of visual gravity by manipulating body posture. In a pretest we showed that it was possible to turn an avatar upside down (inversion relative to retinal coordinates) without inverting the orientation of visual gravity when the avatar stands on his/her hands. We compared the inversion effect in typical conditions (with gravity conflict when the avatar is upside down) to the inversion effect in conditions with no conflict between visual and physical gravity. The results of our experiment revealed that the inversion effect, as measured by both error rate and reaction time, was strongly reduced when there was no gravity conflict. Our results suggest that when an observed body is upside down (inversion relative to participants' retinal coordinates) but the orientation of visual gravity is not, configural processing of bodies might still be possible. In this paper, we discuss the implications of an internal model of gravity in the configural processing of observed bodies. Copyright © 2016 Elsevier B.V. All rights reserved.

Numerical investigation of the dynamics of Janus magnetic particles in a rotating magnetic field

NASA Astrophysics Data System (ADS)

Kim, Hui Eun; Kim, Kyoungbeom; Ma, Tae Yeong; Kang, Tae Gon

2017-02-01

We investigated the rotational dynamics of Janus magnetic particles suspended in a viscous liquid, in the presence of an externally applied rotating magnetic field. A previously developed two-dimensional direct simulation method, based on the finite element method and a fictitious domain method, is employed to solve the magnetic particulate flow. As for the magnetic problem, the two Maxwell equations are converted to a differential equation using the magnetic potential. The magnetic forces acting on the particles are treated by a Maxwell stress tensor formulation, enabling us to consider the magnetic interactions among the particles without any approximation. The dynamics of a single particle in the rotating field is studied to elucidate the effect of the Mason number and the magnetic susceptibility on the particle motions. Then, we extended our interest to a two-particle problem, focusing on the effect of the initial configuration of the particles on the particle motions. In three-particle interaction problems, the particle dynamics and the fluid flow induced by the particle motions are significantly affected by the particle configuration and the orientation of each particle.

Optimal configuration of microstructure in ferroelectric materials by stochastic optimization

NASA Astrophysics Data System (ADS)

Jayachandran, K. P.; Guedes, J. M.; Rodrigues, H. C.

2010-07-01

An optimization procedure determining the ideal configuration at the microstructural level of ferroelectric (FE) materials is applied to maximize piezoelectricity. Piezoelectricity in ceramic FEs differs significantly from that of single crystals because of the presence of crystallites (grains) possessing crystallographic axes aligned imperfectly. The piezoelectric properties of a polycrystalline (ceramic) FE is inextricably related to the grain orientation distribution (texture). The set of combination of variables, known as solution space, which dictates the texture of a ceramic is unlimited and hence the choice of the optimal solution which maximizes the piezoelectricity is complicated. Thus, a stochastic global optimization combined with homogenization is employed for the identification of the optimal granular configuration of the FE ceramic microstructure with optimum piezoelectric properties. The macroscopic equilibrium piezoelectric properties of polycrystalline FE is calculated using mathematical homogenization at each iteration step. The configuration of grains characterized by its orientations at each iteration is generated using a randomly selected set of orientation distribution parameters. The optimization procedure applied to the single crystalline phase compares well with the experimental data. Apparent enhancement of piezoelectric coefficient d33 is observed in an optimally oriented BaTiO3 single crystal. Based on the good agreement of results with the published data in single crystals, we proceed to apply the methodology in polycrystals. A configuration of crystallites, simultaneously constraining the orientation distribution of the c-axis (polar axis) while incorporating ab-plane randomness, which would multiply the overall piezoelectricity in ceramic BaTiO3 is also identified. The orientation distribution of the c-axes is found to be a narrow Gaussian distribution centered around 45°. The piezoelectric coefficient in such a ceramic is found to be nearly three times as that of the single crystal. Our optimization model provide designs for materials with enhanced piezoelectric performance, which would stimulate further studies involving materials possessing higher spontaneous polarization.

Examining, Documenting, and Modeling the Problem Space of a Variable Domain

DTIC Science & Technology

2002-06-14

Feature-Oriented Domain Analysis ( FODA ) .............................................................................................. 9...development of this proposed process include: Feature-Oriented Domain Analysis ( FODA ) [3,4], Organization Domain Modeling (ODM) [2,5,6], Family-Oriented...configuration knowledge using generators [2]. 8 Existing Methods of Domain Engineering Feature-Oriented Domain Analysis ( FODA ) FODA is a domain

Making heads turn: the effect of familiarity and stimulus rotation on a gender-classification task.

PubMed

Stevenage, Sarah V; Osborne, Cara D

2006-01-01

Recent work has demonstrated that facial familiarity can moderate the influence of inversion when completing a configural processing task. Here, we examine whether familiarity interacts with intermediate angles of orientation in the same way that it interacts with inversion. Participants were asked to make a gender classification to familiar and unfamiliar faces shown at seven angles of orientation. Speed and accuracy of performance were assessed for stimuli presented (i) as whole faces and (ii) as internal features. When presented as whole faces, the task was easy, as revealed by ceiling levels of accuracy and no effect of familiarity or angle of rotation on response times. However, when stimuli were presented as internal features, an influence of facial familiarity was evident. Unfamiliar faces showed no increase in difficulty across angle of rotation, whereas familiar faces showed a marked increase in difficulty across angle, which was explained by significant linear and cubic trends in the data. Results were interpreted in terms of the benefit gained from a mental representation when face processing was impaired by stimulus rotation.

A Laminar Model for the Magnetic Field Structure in Bow-Shock Pulsar Wind Nebulae

NASA Astrophysics Data System (ADS)

Bucciantini, N.

2018-05-01

Bow Shock Pulsar Wind Nebulae are a class of non-thermal sources, that form when the wind of a pulsar moving at supersonic speed interacts with the ambient medium, either the ISM or in a few cases the cold ejecta of the parent supernova. These systems have attracted attention in recent years, because they allow us to investigate the properties of the pulsar wind in a different environment from that of canonical Pulsar Wind Nebulae in Supernova Remnants. However, due to the complexity of the interaction, a full-fledged multidimensional analysis is still laking. We present here a simplified approach, based on Lagrangian tracers, to model the magnetic field structure in these systems, and use it to compute the magnetic field geometry, for various configurations in terms of relative orientation of the magnetic axis, pulsar speed and observer direction. Based on our solutions we have computed a set of radio emission maps, including polarization, to investigate the variety of possible appearances, and how the observed emission pattern can be used to constrain the orientation of the system, and the possible presence of turbulence.

Dual redundant arm system operational quality measures and their applications - Static measures

NASA Technical Reports Server (NTRS)

Lee, Sukhan; Kim, Sungbok

1990-01-01

The authors present dual-arm system static operational quality measures which quantify the efficiency and capability of a dual-arm system in generating Cartesian velocities and static forces. First, they define and analyze the kinematic interactions between the two arms incurred by the various modes of dual-arm cooperation, such as transport, assembly, and grasping modes of cooperation, and specify the kinematic constraints imposed on individual arms in Cartesian space due to the kinematic interactions. Dual-arm static manipulability is presented. Finally, dual-arm operational quality is scaled by a task-oriented operational quality measure (TOQs) obtained by the comparison between the desired and actual static manipulabilities. TOQs is used in the optimization of dual-arm joint configurations. Simulation results are shown.

Specificity of molecular interactions in transient protein-protein interaction interfaces.

PubMed

Cho, Kyu-il; Lee, KiYoung; Lee, Kwang H; Kim, Dongsup; Lee, Doheon

2006-11-15

In this study, we investigate what types of interactions are specific to their biological function, and what types of interactions are persistent regardless of their functional category in transient protein-protein heterocomplexes. This is the first approach to analyze protein-protein interfaces systematically at the molecular interaction level in the context of protein functions. We perform systematic analysis at the molecular interaction level using classification and feature subset selection technique prevalent in the field of pattern recognition. To represent the physicochemical properties of protein-protein interfaces, we design 18 molecular interaction types using canonical and noncanonical interactions. Then, we construct input vector using the frequency of each interaction type in protein-protein interface. We analyze the 131 interfaces of transient protein-protein heterocomplexes in PDB: 33 protease-inhibitors, 52 antibody-antigens, 46 signaling proteins including 4 cyclin dependent kinase and 26 G-protein. Using kNN classification and feature subset selection technique, we show that there are specific interaction types based on their functional category, and such interaction types are conserved through the common binding mechanism, rather than through the sequence or structure conservation. The extracted interaction types are C(alpha)-- H...O==C interaction, cation...anion interaction, amine...amine interaction, and amine...cation interaction. With these four interaction types, we achieve the classification success rate up to 83.2% with leave-one-out cross-validation at k = 15. Of these four interaction types, C(alpha)--H...O==C shows binding specificity for protease-inhibitor complexes, while cation-anion interaction is predominant in signaling complexes. The amine ... amine and amine...cation interaction give a minor contribution to the classification accuracy. When combined with these two interactions, they increase the accuracy by 3.8%. In the case of antibody-antigen complexes, the sign is somewhat ambiguous. From the evolutionary perspective, while protease-inhibitors and sig-naling proteins have optimized their interfaces to suit their biological functions, antibody-antigen interactions are the happenstance, implying that antibody-antigen complexes do not show distinctive interaction types. Persistent interaction types such as pi...pi, amide-carbonyl, and hydroxyl-carbonyl interaction, are also investigated. Analyzing the structural orientations of the pi...pi stacking interactions, we find that herringbone shape is a major configuration in transient protein-protein interfaces. This result is different from that of protein core, where parallel-displaced configurations are the major configuration. We also analyze overall trend of amide-carbonyl and hydroxyl-carbonyl interactions. It is noticeable that nearly 82% of the interfaces have at least one hydroxyl-carbonyl interactions. (c) 2006 Wiley-Liss, Inc.

The electrophysiological correlate of saliency: evidence from a figure-detection task.

PubMed

Straube, Sirko; Fahle, Manfred

2010-01-11

Although figure-ground segregation in a natural environment usually relies on multiple cues, we experience a coherent figure without usually noticing the individual single cues. It is still unclear how various cues interact to achieve this unified percept and whether this interaction depends on task demands. Studies investigating the effect of cue combination on the human EEG are still lacking. In the present study, we combined psychophysics, ERP and time-frequency analysis to investigate the interaction of orientation and spatial frequency as visual cues in a figure detection task. The figure was embedded in a matrix of Gabor elements, and we systematically varied figure saliency by changing the underlying cue configuration. We found a strong correlation between the posterior P2 amplitude and the perceived saliency of the figure: the P2 amplitude decreased with increasing saliency. Analogously, the power of the theta-band decreased for more salient figures. At longer latencies, the posterior P3 component was modulated in amplitude and latency, possibly reflecting increased decision confidence at higher saliencies. In conclusion, when the cue composition (e.g. one or two cues) or cue strength is changed in a figure detection task, first differences in the electrophysiological response reflect the perceived saliency and not directly the underlying cue configuration.

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

Flow visualization of mast-mounted-sight/main rotor aerodynamic interactions

NASA Technical Reports Server (NTRS)

Ghee, Terence A.; Kelley, Henry L.

1993-01-01

Flow visualization tests were conducted on a 27 percent-scale AH-64 attack helicopter model fitted with various mast-mounted-sight configurations in an attempt to identify the cause of adverse vibration encountered during full-scale flight tests of an Apache/Longbow configuration. The tests were conducted at the NASA Langley Research Center in the 14- by 22-Foot Subsonic Tunnel. A symmetric and an asymmetric mast-mounted-sight oriented at several skew angles were tested at forward and rearward flight speeds of 30 and 45 knots. A laser light sheet seeded with vaporized propylene glycol was used to visualize the wake of the sight in planes parallel and perpendicular to the freestream flow. Analysis of the flow visualization data identified the frequency of the wake shed from the sight, the angle-of-attack at the sight, and the location where the sight wake crossed the rotor plane. Differences in wake structure were observed between the various sight configurations and slew angles. Postulations into the cause of the adverse vibration found in flight test are given along with considerations for future tests.

Formation of highly preferred orientation of β-Sn grains in solidified Cu/SnAgCu/Cu micro interconnects under temperature gradient effect

NASA Astrophysics Data System (ADS)

Zhao, N.; Zhong, Y.; Dong, W.; Huang, M. L.; Ma, H. T.; Wong, C. P.

2017-02-01

β-Sn grain orientation and configuration are becoming crucial factors to dominate the lifetime of solder interconnects in three-dimensional integrated circuit packaging. In this paper, we found that a temperature gradient during solidification significantly dominated the orientation and configuration of the final β-Sn grains in Cu/SnAgCu/Cu micro interconnects. Being different from the random orientations and growth fronts meeting or cyclic twin boundary forming near the center after homogeneous temperature bonding, the β-Sn grains solidified under a certain temperature gradient were observed to follow a highly preferred orientation with their c-axis departing from the direction of temperature gradient by about 45°-88°. Meanwhile, these preferred oriented β-Sn grains consisted of low angle grain boundary structures with misorientation in the range of 0°-15°. The mechanism was explained in terms of the anisotropy and directional growth of β-Sn grains. The results pave the way for grain orientation control in 3D packaging technology.

Dawn-dusk asymmetry induced by the Parker spiral angle in the plasma dynamics around comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Behar, E.; Tabone, B.; Nilsson, H.

2018-05-01

When interacting, the solar wind and the ionised atmosphere of a comet exchange energy and momentum. Our aim is to understand the influence of the average Parker spiral configuration of the solar wind magnetic field on this interaction. We compare the theoretical expectations of an analytical generalised gyromotion with Rosetta observations at comet 67P/Churyumov-Gerasimenko. A statistical approach allows one to overcome the lack of upstream solar wind measurement. We find that additionally to their acceleration along (for cometary pick-up ions) or against (for solar wind ions) the upstream electric field orientation and sense, the cometary pick-up ions are drifting towards the dawn side of the coma, while the solar wind ions are drifting towards the dusk side of the coma, independent of the heliocentric distance. The dynamics of the interaction is not taking place in a plane, as often assumed in previous works.

Conformational analysis of triphenylphosphine ligands in stereogenic monometallic complexes: tools for predicting the preferred configuration of the triphenylphosphine rotor.

PubMed

Costello, James F; Davies, Stephen G; Gould, Elliott T F; Thomson, James E

2015-03-28

The extension of our simple model for predicting the propeller configuration of a triphenylphosphine ligand co-ordinated to achiral metal centres to include stereogenic metal systems is described. By considering nadir energy planes (NEP's) and a series of rigid-body calculations, a model has been developed to reliably predict the configuration of the triphenylphosphine rotor of stereogenic metal complexes. For complexes of the form [M(η(5)-C5H5)(PPh3)(L(1))(L(2))], where it is assumed that L(1) is larger than L(2), the configuration of the triphenylphosphine rotor may be predicted by viewing a Newman projection along the L(1)-M bond. In the orientation where the PPh3 unit is pointing vertically downwards and the orthogonal L(2) ligand is pointing to the right [i.e., an (RM)-configured complex, assuming that L(2) is ranked higher priority than L(1)], the conformation of L(1) can be expected to place the most sterically demanding substituent in the top-right quadrant. In cases where ligand L(1) still presents a steric incursion towards the PPh3 ligand (any part of L(1) other than H proximal to the PPh3 in the approximate zone -30° to +60° from the M-P bond) an (M)-configured rotor is expected, and when this interaction is not present a (P)-configured propeller is predicted. Without exception, these rules are consistent with all empirical data (>140 known crystal structures).

An ab-initio density functional theory investigation of fullerene/Zn-phthalocyanine (C60/ZnPc) interface with face-on orientation

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

Javaid, Saqib; National Centre of Physics, Islamabad; Javed Akhtar, M., E-mail: javedakhtar6@gmail.com

2015-07-28

We have employed density functional theory to study the C60/ZnPc interface with face-on orientation, which has recently been tailored experimentally. For this purpose, adsorption of ZnPc on C60 has been studied, while taking into account different orientations of C60. Out of various adsorption sites investigated, 6:6 C-C bridge position in apex configuration of C60 has been found energetically the most favourable one with C60-ZnPc adsorption distance of ∼2.77 Å. The adsorption of ZnPc on C60 ensues both charge re-organization and charge transfer at the interface, resulting in the formation of interface dipole. Moreover, by comparing results with that of C60/CuPc interface,more » we show that the direction of interface dipole can be tuned by the change of the central atom of the phthalocyanine molecule. These results highlight the complexity of electronic interactions present at the C60/Phthalocyanine interface.« less

Seeing More by Showing Less: Orientation-Dependent Transparency Rendering for Fiber Tractography Visualization

PubMed Central

Tax, Chantal M. W.; Chamberland, Maxime; van Stralen, Marijn; Viergever, Max A.; Whittingstall, Kevin; Fortin, David; Descoteaux, Maxime; Leemans, Alexander

2015-01-01

Fiber tractography plays an important role in exploring the architectural organization of fiber trajectories, both in fundamental neuroscience and in clinical applications. With the advent of diffusion MRI (dMRI) approaches that can also model “crossing fibers”, the complexity of the fiber network as reconstructed with tractography has increased tremendously. Many pathways interdigitate and overlap, which hampers an unequivocal 3D visualization of the network and impedes an efficient study of its organization. We propose a novel fiber tractography visualization approach that interactively and selectively adapts the transparency rendering of fiber trajectories as a function of their orientation to enhance the visibility of the spatial context. More specifically, pathways that are oriented (locally or globally) along a user-specified opacity axis can be made more transparent or opaque. This substantially improves the 3D visualization of the fiber network and the exploration of tissue configurations that would otherwise be largely covered by other pathways. We present examples of fiber bundle extraction and neurosurgical planning cases where the added benefit of our new visualization scheme is demonstrated over conventional fiber visualization approaches. PMID:26444010

Seeing More by Showing Less: Orientation-Dependent Transparency Rendering for Fiber Tractography Visualization.

PubMed

Tax, Chantal M W; Chamberland, Maxime; van Stralen, Marijn; Viergever, Max A; Whittingstall, Kevin; Fortin, David; Descoteaux, Maxime; Leemans, Alexander

2015-01-01

Fiber tractography plays an important role in exploring the architectural organization of fiber trajectories, both in fundamental neuroscience and in clinical applications. With the advent of diffusion MRI (dMRI) approaches that can also model "crossing fibers", the complexity of the fiber network as reconstructed with tractography has increased tremendously. Many pathways interdigitate and overlap, which hampers an unequivocal 3D visualization of the network and impedes an efficient study of its organization. We propose a novel fiber tractography visualization approach that interactively and selectively adapts the transparency rendering of fiber trajectories as a function of their orientation to enhance the visibility of the spatial context. More specifically, pathways that are oriented (locally or globally) along a user-specified opacity axis can be made more transparent or opaque. This substantially improves the 3D visualization of the fiber network and the exploration of tissue configurations that would otherwise be largely covered by other pathways. We present examples of fiber bundle extraction and neurosurgical planning cases where the added benefit of our new visualization scheme is demonstrated over conventional fiber visualization approaches.

Multi-scale analysis of collective behavior in 2D self-propelled particle models of swarms: An Advection-Diffusion with Memory Approach

NASA Astrophysics Data System (ADS)

Raghib, Michael; Levin, Simon; Kevrekidis, Ioannis

2010-05-01

Self-propelled particle models (SPP's) are a class of agent-based simulations that have been successfully used to explore questions related to various flavors of collective motion, including flocking, swarming, and milling. These models typically consist of particle configurations, where each particle moves with constant speed, but changes its orientation in response to local averages of the positions and orientations of its neighbors found within some interaction region. These local averages are based on `social interactions', which include avoidance of collisions, attraction, and polarization, that are designed to generate configurations that move as a single object. Errors made by the individuals in the estimates of the state of the local configuration are modeled as a random rotation of the updated orientation resulting from the social rules. More recently, SPP's have been introduced in the context of collective decision-making, where the main innovation consists of dividing the population into naïve and `informed' individuals. Whereas naïve individuals follow the classical collective motion rules, members of the informed sub-population update their orientations according to a weighted average of the social rules and a fixed `preferred' direction, shared by all the informed individuals. Collective decision-making is then understood in terms of the ability of the informed sub-population to steer the whole group along the preferred direction. Summary statistics of collective decision-making are defined in terms of the stochastic properties of the random walk followed by the centroid of the configuration as the particles move about, in particular the scaling behavior of the mean squared displacement (msd). For the region of parameters where the group remains coherent , we note that there are two characteristic time scales, first there is an anomalous transient shared by both purely naïve and informed configurations, i.e. the scaling exponent lies between 1 and 2. The long-time behavior of the msd of the centroid walk scales linearly with time for naïve groups (diffusion), but shows a sharp transition to quadratic scaling (advection) for informed ones. These observations suggest that the mesoscopic variables of interest are the magnitude of the drift, the diffusion coefficient and the time-scales at which the anomalous and the asymptotic behavior respectively dominate transport, the latter being linked to the time scale at which the group reaches a decision. In order to estimate these summary statistics from the msd, we assumed that the configuration centroid follows an uncoupled Continuous Time Random Walk (CTRW) with smooth jump and waiting time pdf's. The mesoscopic transport equation for this type of random walk corresponds to an Advection-Diffusion Equation with Memory (ADEM). The introduction of the memory, and thus non-Markovian effects, is necessary in order to correctly account for the two time scales present. Although we were not able to calculate the memory directly from the individual-level rules, we show that it can estimated from a single, relatively short, simulation run using a Mittag-Leffler function as template. With this function it is possible to predict accurately the behavior of the msd, as well as the full pdf for the position of the centroid. The resulting ADEM is self-consistent in the sense that transport parameters estimated from the memory via a Kubo relationship coincide with those estimated from the moments of the jump size pdf of the associated CTRW for a large number of group sizes, proportions of informed individuals, and degrees of bias along the preferred direction. We also discuss the phase diagrams for the transport coefficients estimated from this method, where we notice velocity-precision trade-offs, where precision is a measure of the deviation of realized group orientations with respect to the informed direction. We also note that the time scale to collective decision is invariant with respect to group size, and depends only on the proportion of informed individuals and the strength of the coupling along the informed direction.

Zigzag nanoribbons of two-dimensional silicene-like crystals: magnetic, topological and thermoelectric properties.

PubMed

Wierzbicki, Michał; Barnaś, Józef; Swirkowicz, Renata

2015-12-09

The effects of electron-electron and spin-orbit interactions on the ground-state magnetic configuration and on the corresponding thermoelectric and spin thermoelectric properties in zigzag nanoribbons of two-dimensional hexagonal crystals are analysed theoretically. The thermoelectric properties of quasi-stable magnetic states are also considered. Of particular interest is the influence of Coulomb and spin-orbit interactions on the topological edge states and on the transition between the topological insulator and conventional gap insulator states. It is shown that the interplay of both interactions also has a significant impact on the transport and thermoelectric characteristics of the nanoribbons. The spin-orbit interaction also determines the in-plane magnetic easy axis. The thermoelectric properties of nanoribbons with in-plane magnetic moments are compared to those of nanoribbons with edge magnetic moments oriented perpendicularly to their plane. Nanoribbons with ferromagnetic alignment of the edge moments are shown to reveal spin thermoelectricity in addition to the conventional one.

Telemanipulator design and optimization software

NASA Astrophysics Data System (ADS)

Cote, Jean; Pelletier, Michel

1995-12-01

For many years, industrial robots have been used to execute specific repetitive tasks. In those cases, the optimal configuration and location of the manipulator only has to be found once. The optimal configuration or position where often found empirically according to the tasks to be performed. In telemanipulation, the nature of the tasks to be executed is much wider and can be very demanding in terms of dexterity and workspace. The position/orientation of the robot's base could be required to move during the execution of a task. At present, the choice of the initial position of the teleoperator is usually found empirically which can be sufficient in the case of an easy or repetitive task. In the converse situation, the amount of time wasted to move the teleoperator support platform has to be taken into account during the execution of the task. Automatic optimization of the position/orientation of the platform or a better designed robot configuration could minimize these movements and save time. This paper will present two algorithms. The first algorithm is used to optimize the position and orientation of a given manipulator (or manipulators) with respect to the environment on which a task has to be executed. The second algorithm is used to optimize the position or the kinematic configuration of a robot. For this purpose, the tasks to be executed are digitized using a position/orientation measurement system and a compact representation based on special octrees. Given a digitized task, the optimal position or Denavit-Hartenberg configuration of the manipulator can be obtained numerically. Constraints on the robot design can also be taken into account. A graphical interface has been designed to facilitate the use of the two optimization algorithms.

A Semi-Automatic Image-Based Close Range 3D Modeling Pipeline Using a Multi-Camera Configuration

PubMed Central

Rau, Jiann-Yeou; Yeh, Po-Chia

2012-01-01

The generation of photo-realistic 3D models is an important task for digital recording of cultural heritage objects. This study proposes an image-based 3D modeling pipeline which takes advantage of a multi-camera configuration and multi-image matching technique that does not require any markers on or around the object. Multiple digital single lens reflex (DSLR) cameras are adopted and fixed with invariant relative orientations. Instead of photo-triangulation after image acquisition, calibration is performed to estimate the exterior orientation parameters of the multi-camera configuration which can be processed fully automatically using coded targets. The calibrated orientation parameters of all cameras are applied to images taken using the same camera configuration. This means that when performing multi-image matching for surface point cloud generation, the orientation parameters will remain the same as the calibrated results, even when the target has changed. Base on this invariant character, the whole 3D modeling pipeline can be performed completely automatically, once the whole system has been calibrated and the software was seamlessly integrated. Several experiments were conducted to prove the feasibility of the proposed system. Images observed include that of a human being, eight Buddhist statues, and a stone sculpture. The results for the stone sculpture, obtained with several multi-camera configurations were compared with a reference model acquired by an ATOS-I 2M active scanner. The best result has an absolute accuracy of 0.26 mm and a relative accuracy of 1:17,333. It demonstrates the feasibility of the proposed low-cost image-based 3D modeling pipeline and its applicability to a large quantity of antiques stored in a museum. PMID:23112656

A semi-automatic image-based close range 3D modeling pipeline using a multi-camera configuration.

PubMed

Rau, Jiann-Yeou; Yeh, Po-Chia

2012-01-01

The generation of photo-realistic 3D models is an important task for digital recording of cultural heritage objects. This study proposes an image-based 3D modeling pipeline which takes advantage of a multi-camera configuration and multi-image matching technique that does not require any markers on or around the object. Multiple digital single lens reflex (DSLR) cameras are adopted and fixed with invariant relative orientations. Instead of photo-triangulation after image acquisition, calibration is performed to estimate the exterior orientation parameters of the multi-camera configuration which can be processed fully automatically using coded targets. The calibrated orientation parameters of all cameras are applied to images taken using the same camera configuration. This means that when performing multi-image matching for surface point cloud generation, the orientation parameters will remain the same as the calibrated results, even when the target has changed. Base on this invariant character, the whole 3D modeling pipeline can be performed completely automatically, once the whole system has been calibrated and the software was seamlessly integrated. Several experiments were conducted to prove the feasibility of the proposed system. Images observed include that of a human being, eight Buddhist statues, and a stone sculpture. The results for the stone sculpture, obtained with several multi-camera configurations were compared with a reference model acquired by an ATOS-I 2M active scanner. The best result has an absolute accuracy of 0.26 mm and a relative accuracy of 1:17,333. It demonstrates the feasibility of the proposed low-cost image-based 3D modeling pipeline and its applicability to a large quantity of antiques stored in a museum.

Interaction of the Local Interstellar Medium with the Heliosphere: Role of the Interior and Exterior Magnetic Fields

NASA Technical Reports Server (NTRS)

Barnes, Aaron; DeVincenzi, Donald (Technical Monitor)

2000-01-01

A complete model of the global interaction between the solar wind and the local interstellar medium must take account of interstellar neutral atoms, interstellar ionized gas, solar and galactic magnetic fields, galactic and anomalous cosmic rays. For now, however, in view of the many uncertainties about conditions in the interstellar medium, etc., all models must be regarded as highly idealized and incomplete. In the present review I concentrate on the role of magnetic fields of solar and interstellar origin. The former, the interior field, has negligible influence on the unshocked solar wind; the immediate post-shock solar wind is probably low-beta, so that the interior magnetic field is still unimportant, but this situation changes as the plasma flows through the heliosheath, and a ridge of strong magnetic field may form to separate materials of polar and equatorial origin. The exterior (interstellar) field is likely to play an important role in determining the global morphology of the system outside the termination shock. If the exterior field is strong enough, it can compress the heliosphere (although exterior neutral and/or ionized hydrogen may play the dominant role). Even if the interstellar magnetic field does not provide the dominant pressure, its orientation can substantially affect the configuration of the heliosphere, especially the location and orientation of the heliospheric discontinuities. The configurations can be quite different for the situations in which the field and flow are (a) aligned or (b) transverse. Obliquity of the field produces asymmetry in the geometry of the system; in particular the noses of heliopause and interstellar bow shock are shifted away from the interstellar flow direction, and in opposite directions, due to the asymmetric draping of the magnetic field.

Generation of uniformly oriented in-plane magnetization with near-unity purity in 4π microscopy.

PubMed

Wang, Sicong; Cao, Yaoyu; Li, Xiangping

2017-12-01

In this Letter, we numerically demonstrate the all-optical generation of uniformly oriented in-plane magnetization with near-unity purity (more than 99%) under a 4π microscopic configuration. This is achieved through focusing two counter-propagating vector beams consisting of coherently configured linear and radial components. Based on the Debye diffraction theory, constructive and destructive interferences of the focal field components can be tailored under the 4π configuration to generate high-purity uniformly polarized transverse and longitudinal electric-field components in the center of the focal region. Consequently, near-unity purity in-plane magnetization with a uniform orientation within the focal volume defined by the full width at half-maximum can be created through the inverse Faraday effect. In addition, it reveals that the purity of the in-plane magnetization is robust against the numerical aperture of the focal lens. This result expands the flexibility of magnetization manipulations through light and holds great potential in all-optical magnetic recording and spintronics.

Magneto-optical observation of twisted vortices in type-II superconductors

NASA Astrophysics Data System (ADS)

Indenbom, M. V.; van der Beek, C. J.; Berseth, V.; Benoit, W.; D'Anna, G.; Erb, A.; Walker, E.; Flükiger, R.

1997-02-01

When magnetic flux penetrates a type-II superconductor, it does so as quantized flux lines or vortex lines, so called because each is surrounded by a supercurrent vortex. Interactions between such vortices lead to a very rich and well characterized phenomenology for this 'mixed state'. But an outstanding question remains: are individual vortex lines 'strong', or can they easily be cut and made to pass through one another? The concept of vortex cutting was originally proposed to account for dissipation observed in superconducting wires oriented parallel to an applied magnetic field, where the vortex lines and transport current should be in a force-free configuration1-6. Previous experiments, however, have been unable to establish the vortex topology in the force-free configuration or the size of the energy barrier for vortex cutting. Here we report magneto-optical images of YBa2Cu3O7-δ samples in the force-free configuration which show that thousands of vortex lines can twist together to form highly stable structures. In some cases, these 'vortex twisters' interact with one another to produce wave-like dynamics. Our measurements also determine directly the current required to initiate vortex cutting, and show that it is much higher than that needed to overcome the pinning of vortices by material defects. This implies that thermodynamic phases of entangled vortices7-10 are intrinsically stable and may occupy a significant portion of the mixed-state phase diagram for type-II superconductors.

Structure of tropinone reductase-II complexed with NADP+ and pseudotropine at 1.9 A resolution: implication for stereospecific substrate binding and catalysis.

PubMed

Yamashita, A; Kato, H; Wakatsuki, S; Tomizaki, T; Nakatsu, T; Nakajima, K; Hashimoto, T; Yamada, Y; Oda, J

1999-06-15

Tropinone reductase-II (TR-II) catalyzes the NADPH-dependent reduction of the carbonyl group of tropinone to a beta-hydroxyl group. The crystal structure of TR-II complexed with NADP+ and pseudotropine (psi-tropine) has been determined at 1.9 A resolution. A seven-residue peptide near the active site, disordered in the unliganded structure, is fixed in the ternary complex by participation of the cofactor and substrate binding. The psi-tropine molecule is bound in an orientation which satisfies the product configuration and the stereochemical arrangement toward the cofactor. The substrate binding site displays a complementarity to the bound substrate (psi-tropine) in its correct orientation. In addition, electrostatic interactions between the substrate and Glu156 seem to specify the binding position and orientation of the substrate. A comparison between the active sites in TR-II and TR-I shows that they provide different van der Waals surfaces and electrostatic features. These differences likely contribute to the correct binding mode of the substrates, which are in opposite orientations in TR-II and TR-I, and to different reaction stereospecificities. The active site structure in the TR-II ternary complex also suggests that the arrangement of the substrate, cofactor, and catalytic residues is stereoelectronically favorable for the reaction.

Horizontal versus vertical orientation of the loop for tension band wiring of transverse patella fractures.

PubMed

Lee, Sang Ki; Hwang, Yoon Sub; Choy, Won Sik

2014-03-01

Conventional operative treatments of patella fractures are frequently associated with implant failure or displacement. Recent biomechanical studies showed that the orientation of the wire loop and the site of the wire twist can affect the fixation strength. The purpose of this study was to compare the clinical outcome of the tension band technique with loops in different orientations and different knot positions. For this retrospective study, 72 patella fractures (71 patients) were fixed with figure-of-eight configurations in combination with 2 K-wires. Patients were divided into 3 groups according to the orientation of tension band construct. A total of 40 patella fractures were placed with figure-of-eight configurations in a vertical orientation either with 1 wire twist (group 1; 16 patella fractures) or with 2 wire twists at the adjacent corners (group 2; 24 patella fractures). Thirty-two patella fractures were placed with figure-of-eight configurations in a horizontal orientation with 2 wire twists at the adjacent corners (group 3). Range of motion, complication rates, and knee scoring scales (Hospital for Special Surgery and Lysholm) were assessed during serial follow-up. Satisfactory reductions were achieved in all groups, but functional results in the early stage were different. Group 3 had better Hospital for Special Surgery and Lysholm scores at 3 months postoperatively; however, at 6 months and 1 year postoperatively, all groups had similar scores. At the 1-year follow-up, all groups achieved acceptable flexion and range of motion. The overall complication rate was lower in the horizontal group (12.5%). Placing the figure-of-eight tension band construct in a horizontal orientation can provide functional benefits in the early stage after patella fractures. Copyright 2014, SLACK Incorporated.

Perceived orientation in free-fall dependson visual, postural, and architectural factors

NASA Technical Reports Server (NTRS)

Lackner, J. R.; Graybiel, A.

1983-01-01

In orbital flight and in the free-fall phase of parabolic flight, feelings of inversion of self and spacecraft, or aircraft, are often experienced. It is shown here that perceived orientation in free-fall is dependent on the position of one's body in relation to the aircraft, the architectural features of the aircraft, and one's visual appreciation of the relative configurations of his body and the aircraft. Compelling changes in the apparent orientation of one's body and of the aircraft can be reliably and systematically induced by manipulating this relationship. Moreover, while free-floating in the absence of visual, touch, and pressure stimulation, all sense of orientation to the surroundings may be lost with only an awareness of the relative configuration of the body preserved. The absences of falling sensations during weightlessness points to the importance of visual and cognitive factors in eliciting such sensations.

Orientational dynamics and dye-DNA interactions in a dye-labeled DNA aptamer.

PubMed

Unruh, Jay R; Gokulrangan, Giridharan; Lushington, G H; Johnson, Carey K; Wilson, George S

2005-05-01

We report the picosecond and nanosecond timescale rotational dynamics of a dye-labeled DNA oligonucleotide or "aptamer" designed to bind specifically to immunoglobulin E. Rotational dynamics in combination with fluorescence lifetime measurements provide information about dye-DNA interactions. Comparison of Texas Red (TR), fluorescein, and tetramethylrhodamine (TAMRA)-labeled aptamers reveals surprising differences with significant implications for biophysical studies employing such conjugates. Time-resolved anisotropy studies demonstrate that the TR- and TAMRA-aptamer anisotropy decays are dominated by the overall rotation of the aptamer, whereas the fluorescein-aptamer anisotropy decay displays a subnanosecond rotational correlation time much shorter than that expected for the overall rotation of the aptamer. Docking and molecular dynamics simulations suggest that the low mobility of TR is a result of binding in the groove of the DNA helix. Additionally, associated anisotropy analysis of the TAMRA-aptamer reveals both quenched and unquenched states that experience significant coupling to the DNA motion. Therefore, quenching of TAMRA by guanosine must depend on the configuration of the dye bound to the DNA. The strong coupling of TR to the rotational dynamics of the DNA aptamer, together with the absence of quenching of its fluorescence by DNA, makes it a good probe of DNA orientational dynamics. The understanding of the nature of dye-DNA interactions provides the basis for the development of bioconjugates optimized for specific biophysical measurements and is important for the sensitivity of anisotropy-based DNA-protein interaction studies employing such conjugates.

Orientational Dynamics and Dye-DNA Interactions in a Dye-Labeled DNA Aptamer

PubMed Central

Unruh, Jay R.; Gokulrangan, Giridharan; Lushington, G. H.; Johnson, Carey K.; Wilson, George S.

2005-01-01

We report the picosecond and nanosecond timescale rotational dynamics of a dye-labeled DNA oligonucleotide or “aptamer” designed to bind specifically to immunoglobulin E. Rotational dynamics in combination with fluorescence lifetime measurements provide information about dye-DNA interactions. Comparison of Texas Red (TR), fluorescein, and tetramethylrhodamine (TAMRA)-labeled aptamers reveals surprising differences with significant implications for biophysical studies employing such conjugates. Time-resolved anisotropy studies demonstrate that the TR- and TAMRA-aptamer anisotropy decays are dominated by the overall rotation of the aptamer, whereas the fluorescein-aptamer anisotropy decay displays a subnanosecond rotational correlation time much shorter than that expected for the overall rotation of the aptamer. Docking and molecular dynamics simulations suggest that the low mobility of TR is a result of binding in the groove of the DNA helix. Additionally, associated anisotropy analysis of the TAMRA-aptamer reveals both quenched and unquenched states that experience significant coupling to the DNA motion. Therefore, quenching of TAMRA by guanosine must depend on the configuration of the dye bound to the DNA. The strong coupling of TR to the rotational dynamics of the DNA aptamer, together with the absence of quenching of its fluorescence by DNA, makes it a good probe of DNA orientational dynamics. The understanding of the nature of dye-DNA interactions provides the basis for the development of bioconjugates optimized for specific biophysical measurements and is important for the sensitivity of anisotropy-based DNA-protein interaction studies employing such conjugates. PMID:15731389

Three-dimensional visual feature representation in the primary visual cortex

PubMed Central

Tanaka, Shigeru; Moon, Chan-Hong; Fukuda, Mitsuhiro; Kim, Seong-Gi

2011-01-01

In the cat primary visual cortex, it is accepted that neurons optimally responding to similar stimulus orientations are clustered in a column extending from the superficial to deep layers. The cerebral cortex is, however, folded inside a skull, which makes gyri and fundi. The primary visual area of cats, area 17, is located on the fold of the cortex called the lateral gyrus. These facts raise the question of how to reconcile the tangential arrangement of the orientation columns with the curvature of the gyrus. In the present study, we show a possible configuration of feature representation in the visual cortex using a three-dimensional (3D) self-organization model. We took into account preferred orientation, preferred direction, ocular dominance and retinotopy, assuming isotropic interaction. We performed computer simulation only in the middle layer at the beginning and expanded the range of simulation gradually to other layers, which was found to be a unique method in the present model for obtaining orientation columns spanning all the layers in the flat cortex. Vertical columns of preferred orientations were found in the flat parts of the model cortex. On the other hand, in the curved parts, preferred orientations were represented in wedge-like columns rather than straight columns, and preferred directions were frequently reversed in the deeper layers. Singularities associated with orientation representation appeared as warped lines in the 3D model cortex. Direction reversal appeared on the sheets that were delimited by orientation-singularity lines. These structures emerged from the balance between periodic arrangements of preferred orientations and vertical alignment of same orientations. Our theoretical predictions about orientation representation were confirmed by multi-slice, high-resolution functional MRI in the cat visual cortex. We obtained a close agreement between theoretical predictions and experimental observations. The present study throws a doubt about the conventional columnar view of orientation representation, although more experimental data are needed. PMID:21724370

Three-dimensional visual feature representation in the primary visual cortex.

PubMed

Tanaka, Shigeru; Moon, Chan-Hong; Fukuda, Mitsuhiro; Kim, Seong-Gi

2011-12-01

In the cat primary visual cortex, it is accepted that neurons optimally responding to similar stimulus orientations are clustered in a column extending from the superficial to deep layers. The cerebral cortex is, however, folded inside a skull, which makes gyri and fundi. The primary visual area of cats, area 17, is located on the fold of the cortex called the lateral gyrus. These facts raise the question of how to reconcile the tangential arrangement of the orientation columns with the curvature of the gyrus. In the present study, we show a possible configuration of feature representation in the visual cortex using a three-dimensional (3D) self-organization model. We took into account preferred orientation, preferred direction, ocular dominance and retinotopy, assuming isotropic interaction. We performed computer simulation only in the middle layer at the beginning and expanded the range of simulation gradually to other layers, which was found to be a unique method in the present model for obtaining orientation columns spanning all the layers in the flat cortex. Vertical columns of preferred orientations were found in the flat parts of the model cortex. On the other hand, in the curved parts, preferred orientations were represented in wedge-like columns rather than straight columns, and preferred directions were frequently reversed in the deeper layers. Singularities associated with orientation representation appeared as warped lines in the 3D model cortex. Direction reversal appeared on the sheets that were delimited by orientation-singularity lines. These structures emerged from the balance between periodic arrangements of preferred orientations and vertical alignment of the same orientations. Our theoretical predictions about orientation representation were confirmed by multi-slice, high-resolution functional MRI in the cat visual cortex. We obtained a close agreement between theoretical predictions and experimental observations. The present study throws a doubt about the conventional columnar view of orientation representation, although more experimental data are needed. Copyright © 2011 Elsevier Ltd. All rights reserved.

Reconstruction of Northeast Asian Deformation Integrated with Western Pacific Plate Subduction since 200 Ma

NASA Astrophysics Data System (ADS)

Liu, S.; Gurnis, M.; Ma, P.; Zhang, B.

2017-12-01

The configuration and kinematics of continental deformation and its marginal plate tectonics on the Earth's surface are intrinsic manifestations of plate-mantle coupling. The complex interactions of plate boundary forces result in plate motions that are dominated by slab pull and ridge push forces and the effects of mantle drag; these interactions also result in continental deformation with a complex basin-mountain architecture and evolution. The kinematics and evolution of the western Pacific subduction and northeast Asian continental-margin deformation are a first-order tectonic process whose nature and chronology remains controversial. This paper implements a "deep-time" reconstruction of the western Pacific subduction, continental accretion or collision and basin-mountain deformation in northeast Asia since 200 Ma based on a newly revised global plate model. The results demonstrate a NW-SE-oriented shortening from 200-137 Ma, a NWW-SEE-oriented extension from 136-101 Ma, a nearly N-S-oriented extension and uplift with a short-term NWW-SEE-oriented compressional inversion in northeast China from 100-67 Ma, and a NW-SE- and nearly N-S-oriented extension from 66 Ma to the present day. The western Pacific oceanic plate subducted forward under East Asia along Mudanjiang-Honshu Island during the Jurassic, and the trenches retreated to the Sikhote-Alin, North Shimanto, and South Shimanto zones from ca. 137-128 Ma, ca. 130-90 Ma, and in ca. 60 Ma, respectively. Our time-dependent analysis of plate motion and continental deformation coupling suggests that the multi-plate convergent motion and ocean-continent convergent orogeny were induced by advance subduction during the Jurassic and earliest Cretaceous. Our analysis also indicates that the intra-continent rifting and back-arc extension were triggered by trench retreat during the Cretaceous and that the subduction of oceanic ridge and arc were triggered by trench retreat during the Cenozoic. Therefore, reconstructing the history of plate motion and subduction and tracing the geological and deformation records in continents play a significant role in revealing the effects of complex plate motions and the interactions of plate boundary forces on plate-mantle coupling and plate motion-intracontinental deformation coupling.

CTCF-Mediated Human 3D Genome Architecture Reveals Chromatin Topology for Transcription.

PubMed

Tang, Zhonghui; Luo, Oscar Junhong; Li, Xingwang; Zheng, Meizhen; Zhu, Jacqueline Jufen; Szalaj, Przemyslaw; Trzaskoma, Pawel; Magalska, Adriana; Wlodarczyk, Jakub; Ruszczycki, Blazej; Michalski, Paul; Piecuch, Emaly; Wang, Ping; Wang, Danjuan; Tian, Simon Zhongyuan; Penrad-Mobayed, May; Sachs, Laurent M; Ruan, Xiaoan; Wei, Chia-Lin; Liu, Edison T; Wilczynski, Grzegorz M; Plewczynski, Dariusz; Li, Guoliang; Ruan, Yijun

2015-12-17

Spatial genome organization and its effect on transcription remains a fundamental question. We applied an advanced chromatin interaction analysis by paired-end tag sequencing (ChIA-PET) strategy to comprehensively map higher-order chromosome folding and specific chromatin interactions mediated by CCCTC-binding factor (CTCF) and RNA polymerase II (RNAPII) with haplotype specificity and nucleotide resolution in different human cell lineages. We find that CTCF/cohesin-mediated interaction anchors serve as structural foci for spatial organization of constitutive genes concordant with CTCF-motif orientation, whereas RNAPII interacts within these structures by selectively drawing cell-type-specific genes toward CTCF foci for coordinated transcription. Furthermore, we show that haplotype variants and allelic interactions have differential effects on chromosome configuration, influencing gene expression, and may provide mechanistic insights into functions associated with disease susceptibility. 3D genome simulation suggests a model of chromatin folding around chromosomal axes, where CTCF is involved in defining the interface between condensed and open compartments for structural regulation. Our 3D genome strategy thus provides unique insights in the topological mechanism of human variations and diseases. Copyright © 2015 Elsevier Inc. All rights reserved.

Collective orientational dynamics of pinned chemically-propelled nanorotors

NASA Astrophysics Data System (ADS)

Robertson, Bryan; Stark, Holger; Kapral, Raymond

2018-04-01

Collections of chemically propelled nanomotors free to move in solution can form dynamic clusters with diverse properties as a result of interactions through hydrodynamic flow and concentration fields, as well as direct intermolecular interactions between motors. Here, we study the collective rotational behavior of pinned sphere-dimer motors where direct motor-motor interactions play no role. Since the centers of mass of the motors are pinned, they cannot execute directed translational motion, but they can pump fluid and rotate; thus, the rotors remain coupled through hydrodynamic and chemical fields. Using a microscopic simulation method that accounts for coupling through both these fields, we show that different rotor configurations with a high degree of correlation exist and their forms depend on the nature of the fluid-rotor interactions. The correlations are greatly reduced or completely destroyed when the chemical interactions are removed, indicating that hydrodynamic coupling, while present, plays a lesser role in determining the collective rotor dynamics. These conclusions are supported by Langevin dynamics simulations that neglect hydrodynamics and include an approximate form of coupling through chemical fields.

Electrophysiological correlates of figure-ground segregation directly reflect perceptual saliency.

PubMed

Straube, Sirko; Grimsen, Cathleen; Fahle, Manfred

2010-03-05

In a figure identification task, we investigated the influence of different visual cue configurations (spatial frequency, orientation or a combination of both) on the human EEG. Combining psychophysics with ERP and time-frequency analysis, we show that the neural response at about 200ms reflects perceptual saliency rather than physical cue contrast. Increasing saliency caused (i) a negative shift of the posterior P2 coinciding with a power decrease in the posterior theta-band and (ii) an amplitude and latency increase of the posterior P3. We demonstrate that visual cues interact for a percept that is non-linearly related to the physical figure-ground properties.

Micromagnetic simulations of anisotropies in coupled and uncoupled ferromagnetic nanowire systems.

PubMed

Blachowicz, T; Ehrmann, A

2013-01-01

The influence of a variation of spatial relative orientations onto the coupling dynamics and subsequent magnetic anisotropies was modeled in ferromagnetic nanowires. The wires were analyzed in the most elementary configurations, thus, arranged in pairs perpendicular to each other, leading to one-dimensional (linear) and zero-dimensional (point-like) coupling. Different distances within each elementary pair of wires and between the pairs give rise to varying interactions between parallel and perpendicular wires, respectively. Simulated coercivities show an exchange of easy and hard axes for systems with different couplings. Additionally, two of the systems exhibit a unique switching behavior which can be utilized for developing new functionalities.

Dichloridobis(phenanthridine-κN)zinc(II).

PubMed

Khoshtarkib, Zeinab; Ebadi, Amin; Alizadeh, Robabeh; Ahmadi, Roya; Amani, Vahid

2009-06-06

In the mol-ecule of the title compound, [ZnCl(2)(C(13)H(9)N)(2)], the Zn(II) atom is four-coordinated in a distorted tetra-hedral configuration by two N atoms from two phenanthridine ligands and by two terminal Cl atoms. The dihedral angle between the planes of the phenanthridine ring systems is 69.92 (3)°. An intra-molecular C-H⋯Cl inter-action results in the formation of a planar five-membered ring, which is oriented at a dihedral angle of 8.32 (3)° with respect to the adjacent phenanthridine ring system. In the crystal structure, π-π contacts between the phenanthridine systems [centroid-centroid distances = 3.839 (2), 3.617 (1) and 3.682 (1) Å] may stabilize the structure. Two weak C-H⋯π inter-actions are also found.

Calculating the Motion and Direction of Flux Transfer Events with Cluster

NASA Technical Reports Server (NTRS)

Collado-Vega, Y. M.; Sibeck, D. G.

2012-01-01

For many years now, the interactions of the solar wind plasma with the Earth's magnetosphere has been one of the most important problems for Space Physics. It is very important that we understand these processes because the high-energy particles and also the solar wind energy that cross the magneto sphere could be responsible for serious damage to our technological systems. The solar wind is inherently a dynamic medium, and the particles interaction with the Earth's magnetosphere can be steady or unsteady. Unsteady interaction include transient processes like bursty magnetic reconnection. Flux Transfer Events (FTEs) are magnetopause signatures that usually occur during transient times of reconnection. They exhibit bipolar signatures in the normal component of the magnetic field. We use multi-point timing analysis to determine the orientation and motion of ux transfer events (FTEs) detected by the four Cluster spacecraft on the high-latitude dayside and flank magnetopause during 2002 and 2003. During these years, the distances between the Cluster spacecraft were greater than 1000 km, providing the tetrahedral configuration needed to select events and determine velocities. Each velocity and location will be examined in detail and compared to the velocities and locations determined by the predictions of the component and antiparallel reconnection models for event formation, orientation, motion, and acceleration for a wide range of spacecraft locations and solar wind conditions.

Monitoring the Orientational Changes of Alamethicin during Incorporation into Bilayer Lipid Membranes.

PubMed

Forbrig, Enrico; Staffa, Jana K; Salewski, Johannes; Mroginski, Maria Andrea; Hildebrandt, Peter; Kozuch, Jacek

2018-02-13

Antimicrobial peptides (AMPs) are the first line of defense after contact of an infectious invader, for example, bacterium or virus, with a host and an integral part of the innate immune system of humans. Their broad spectrum of biological functions ranges from cell membrane disruption over facilitation of chemotaxis to interaction with membrane-bound or intracellular receptors, thus providing novel strategies to overcome bacterial resistances. Especially, the clarification of the mechanisms and dynamics of AMP incorporation into bacterial membranes is of high interest, and different mechanistic models are still under discussion. In this work, we studied the incorporation of the peptaibol alamethicin (ALM) into tethered bilayer lipid membranes on electrodes in combination with surface-enhanced infrared absorption (SEIRA) spectroscopy. This approach allows monitoring the spontaneous and potential-induced ion channel formation of ALM in situ. The complex incorporation kinetics revealed a multistep mechanism that points to peptide-peptide interactions prior to penetrating the membrane and adopting the transmembrane configuration. On the basis of the anisotropy of the backbone amide I and II infrared absorptions determined by density functional theory calculations, we employed a mathematical model to evaluate ALM reorientations monitored by SEIRA spectroscopy. Accordingly, ALM was found to adopt inclination angles of ca. 69°-78° and 21° in its interfacially adsorbed and transmembrane incorporated states, respectively. These orientations can be stabilized efficiently by the dipolar interaction with lipid head groups or by the application of a potential gradient. The presented potential-controlled mechanistic study suggests an N-terminal integration of ALM into membranes as monomers or parallel oligomers to form ion channels composed of parallel-oriented helices, whereas antiparallel oligomers are barred from intrusion.

Precursor Wave Emission Enhanced by Weibel Instability in Relativistic Shocks

NASA Astrophysics Data System (ADS)

Iwamoto, Masanori; Amano, Takanobu; Hoshino, Masahiro; Matsumoto, Yosuke

2018-05-01

We investigated the precursor wave emission efficiency in magnetized purely perpendicular relativistic shocks in pair plasmas. We extended our previous study to include the dependence of upstream magnetic field orientations. We performed two-dimensional particle-in-cell simulations and focused on two magnetic field orientations: the magnetic field in the simulation plane (i.e., in-plane configuration) and that perpendicular to the simulation plane (i.e., out-of-plane configuration). Our simulations in the in-plane configuration demonstrated that not only extraordinary but also ordinary mode waves are excited. We quantified the emission efficiency as a function of the magnetization parameter σ e and found that the large-amplitude precursor waves are emitted for a wide range of σ e . We found that especially at low σ e , the magnetic field generated by Weibel instability amplifies the ordinary mode wave power. The amplitude is large enough to perturb the upstream plasma, and transverse density filaments are generated as in the case of the out-of-plane configuration investigated in the previous study. We confirmed that our previous conclusion holds regardless of upstream magnetic field orientations with respect to the two-dimensional simulation plane. We discuss the precursor wave emission in three dimensions and the feasibility of wakefield acceleration in relativistic shocks based on our results.

Applying CBR to machine tool product configuration design oriented to customer requirements

NASA Astrophysics Data System (ADS)

Wang, Pengjia; Gong, Yadong; Xie, Hualong; Liu, Yongxian; Nee, Andrew Yehching

2017-01-01

Product customization is a trend in the current market-oriented manufacturing environment. However, deduction from customer requirements to design results and evaluation of design alternatives are still heavily reliant on the designer's experience and knowledge. To solve the problem of fuzziness and uncertainty of customer requirements in product configuration, an analysis method based on the grey rough model is presented. The customer requirements can be converted into technical characteristics effectively. In addition, an optimization decision model for product planning is established to help the enterprises select the key technical characteristics under the constraints of cost and time to serve the customer to maximal satisfaction. A new case retrieval approach that combines the self-organizing map and fuzzy similarity priority ratio method is proposed in case-based design. The self-organizing map can reduce the retrieval range and increase the retrieval efficiency, and the fuzzy similarity priority ratio method can evaluate the similarity of cases comprehensively. To ensure that the final case has the best overall performance, an evaluation method of similar cases based on grey correlation analysis is proposed to evaluate similar cases to select the most suitable case. Furthermore, a computer-aided system is developed using MATLAB GUI to assist the product configuration design. The actual example and result on an ETC series machine tool product show that the proposed method is effective, rapid and accurate in the process of product configuration. The proposed methodology provides a detailed instruction for the product configuration design oriented to customer requirements.

Defects, Entropy, and the Stabilization of Alternative Phase Boundary Orientations in Battery Electrode Particles

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

Heo, Tae Wook; Tang, Ming; Chen, Long-Qing

Using a novel statistical approach that efficiently explores the space of possible defect configurations, our present study investigates the chemomechanical coupling between interfacial structural defects and phase boundary alignments within phase-separating electrode particles. Applied to the battery cathode material Li XFePO 4 as an example, the theoretical analysis reveals that small, defect-induced deviations from an ideal interface can lead to dramatic shifts in the orientations of phase boundaries between Li-rich and Li-lean phases, stabilizing otherwise unfavorable orientations. Significantly, this stabilization arises predominantly from configurational entropic factors associated with the presence of the interfacial defects rather than from absolute energetic considerations.more » The specific entropic factors pertain to the diversity of defect configurations and their contributions to rotational/orientational rigidity of phase boundaries. Comparison of the predictions with experimental observations indicates that the additional entropy contributions indeed play a dominant role under actual cycling conditions, leading to the conclusion that interfacial defects must be considered when analyzing the stability and evolution kinetics of the internal phase microstructure of strongly phase-separating systems. Possible implications for tuning the kinetics of (de)lithiation based on selective defect incorporation are discussed. Ultimately, this understanding can be generalized to the chemomechanics of other defective solid phase boundaries.« less

Defects, Entropy, and the Stabilization of Alternative Phase Boundary Orientations in Battery Electrode Particles

DOE PAGES

Heo, Tae Wook; Tang, Ming; Chen, Long-Qing; ...

2016-01-04

Using a novel statistical approach that efficiently explores the space of possible defect configurations, our present study investigates the chemomechanical coupling between interfacial structural defects and phase boundary alignments within phase-separating electrode particles. Applied to the battery cathode material Li XFePO 4 as an example, the theoretical analysis reveals that small, defect-induced deviations from an ideal interface can lead to dramatic shifts in the orientations of phase boundaries between Li-rich and Li-lean phases, stabilizing otherwise unfavorable orientations. Significantly, this stabilization arises predominantly from configurational entropic factors associated with the presence of the interfacial defects rather than from absolute energetic considerations.more » The specific entropic factors pertain to the diversity of defect configurations and their contributions to rotational/orientational rigidity of phase boundaries. Comparison of the predictions with experimental observations indicates that the additional entropy contributions indeed play a dominant role under actual cycling conditions, leading to the conclusion that interfacial defects must be considered when analyzing the stability and evolution kinetics of the internal phase microstructure of strongly phase-separating systems. Possible implications for tuning the kinetics of (de)lithiation based on selective defect incorporation are discussed. Ultimately, this understanding can be generalized to the chemomechanics of other defective solid phase boundaries.« less

Force-chain evolution in a two-dimensional granular packing compacted by vertical tappings

NASA Astrophysics Data System (ADS)

Iikawa, Naoki; Bandi, M. M.; Katsuragi, Hiroaki

2018-03-01

We experimentally study the statistics of force-chain evolution in a vertically-tapped two-dimensional granular packing by using photoelastic disks. In this experiment, the tapped granular packing is gradually compacted. During the compaction, the isotropy of grain configurations is quantified by measuring the deviator anisotropy derived from fabric tensor, and then the evolution of force-chain structure is quantified by measuring the interparticle forces and force-chain orientational order parameter. As packing fraction increases, the interparticle force increases and finally saturates to an asymptotic value. Moreover, the grain configurations and force-chain structures become isotropically random as the tapping-induced compaction proceeds. In contrast, the total length of force chains remains unchanged. From the correlations of those parameters, we find two relations: (i) a positive correlation between the isotropy of grain configurations and the disordering of force-chain orientations, and (ii) a negative correlation between the increasing of interparticle forces and the disordering of force-chain orientations. These relations are universally held regardless of the mode of particle motions with or without convection.

Demixing by a Nematic Mean Field: Coarse-Grained Simulations of Liquid Crystalline Polymers

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

Ramírez-Hernández, Abelardo; Hur, Su-Mi; Armas-Pérez, Julio

2017-03-01

Liquid crystalline polymers exhibit a particular richness of behaviors that stems from their rigidity and their macromolecular nature. On the one hand, the orientational interaction between liquid-crystalline motifs promotes their alignment, thereby leading to the emergence of nematic phases. On the other hand, the large number of configurations associated with polymer chains favors formation of isotropic phases, with chain stiffness becoming the factor that tips the balance. In this work, a soft coarse-grained model is introduced to explore the interplay of chain stiffness, molecular weight and orientational coupling, and their role on the isotropic-nematic transition in homopolymer melts. We alsomore » study the structure of polymer mixtures composed of stiff and flexible polymeric molecules. We consider the effects of blend composition, persistence length, molecular weight and orientational coupling strength on the melt structure at the nano-and mesoscopic levels. Conditions are found where the systems separate into two phases, one isotropic and the other nematic. We confirm the existence of non-equilibrium states that exhibit sought-after percolating nematic domains, which are of interest for applications in organic photovoltaic and electronic devices.« less

Alterations to multisensory and unisensory integration by stimulus competition

PubMed Central

Rowland, Benjamin A.; Stanford, Terrence R.; Stein, Barry E.

2011-01-01

In environments containing sensory events at competing locations, selecting a target for orienting requires prioritization of stimulus values. Although the superior colliculus (SC) is causally linked to the stimulus selection process, the manner in which SC multisensory integration operates in a competitive stimulus environment is unknown. Here we examined how the activity of visual-auditory SC neurons is affected by placement of a competing target in the opposite hemifield, a stimulus configuration that would, in principle, promote interhemispheric competition for access to downstream motor circuitry. Competitive interactions between the targets were evident in how they altered unisensory and multisensory responses of individual neurons. Responses elicited by a cross-modal stimulus (multisensory responses) proved to be substantially more resistant to competitor-induced depression than were unisensory responses (evoked by the component modality-specific stimuli). Similarly, when a cross-modal stimulus served as the competitor, it exerted considerably more depression than did its individual component stimuli, in some cases producing more depression than predicted by their linear sum. These findings suggest that multisensory integration can help resolve competition among multiple targets by enhancing orientation to the location of cross-modal events while simultaneously suppressing orientation to events at alternate locations. PMID:21957224

Alterations to multisensory and unisensory integration by stimulus competition.

PubMed

Pluta, Scott R; Rowland, Benjamin A; Stanford, Terrence R; Stein, Barry E

2011-12-01

In environments containing sensory events at competing locations, selecting a target for orienting requires prioritization of stimulus values. Although the superior colliculus (SC) is causally linked to the stimulus selection process, the manner in which SC multisensory integration operates in a competitive stimulus environment is unknown. Here we examined how the activity of visual-auditory SC neurons is affected by placement of a competing target in the opposite hemifield, a stimulus configuration that would, in principle, promote interhemispheric competition for access to downstream motor circuitry. Competitive interactions between the targets were evident in how they altered unisensory and multisensory responses of individual neurons. Responses elicited by a cross-modal stimulus (multisensory responses) proved to be substantially more resistant to competitor-induced depression than were unisensory responses (evoked by the component modality-specific stimuli). Similarly, when a cross-modal stimulus served as the competitor, it exerted considerably more depression than did its individual component stimuli, in some cases producing more depression than predicted by their linear sum. These findings suggest that multisensory integration can help resolve competition among multiple targets by enhancing orientation to the location of cross-modal events while simultaneously suppressing orientation to events at alternate locations.

Manual for obscuration code with space station applications

NASA Technical Reports Server (NTRS)

Marhefka, R. J.; Takacs, L.

1986-01-01

The Obscuration Code, referred to as SHADOW, is a user-oriented computer code to determine the case shadow of an antenna in a complex environment onto the far zone sphere. The surrounding structure can be composed of multiple composite cone frustums and multiply sided flat plates. These structural pieces are ideal for modeling space station configurations. The means of describing the geometry input is compatible with the NEC-BASIC Scattering Code. In addition, an interactive mode of operation has been provided for DEC VAX computers. The first part of this document is a user's manual designed to give a description of the method used to obtain the shadow map, to provide an overall view of the operation of the computer code, to instruct a user in how to model structures, and to give examples of inputs and outputs. The second part is a code manual that details how to set up the interactive and non-interactive modes of the code and provides a listing and brief description of each of the subroutines.

Theoretical study of asymmetric super-rotors: Alignment and orientation

NASA Astrophysics Data System (ADS)

Omiste, Juan J.

2018-02-01

We report a theoretical study of the optical centrifuge acceleration of an asymmetric top molecule interacting with an electric static field by solving the time-dependent Schrödinger equation in the rigid rotor approximation. A detailed analysis of the mixing of the angular momentum in both the molecular and the laboratory fixed frames allows us to deepen the understanding of the main features of the acceleration process, for instance, the effective angular frequency of the molecule at the end of the pulse. For the case of the SO2 molecular super-rotor, we show numerically that it rotates around one internal axis and that its dynamics is confined to the plane defined by the polarization axis of the laser, in agreement with experimental findings. Furthermore, we consider the orientation patterns induced by the dc field, showing the characteristics of their structure as a function of the strength of the static field and the initial configuration of the fields.

Object-oriented approach for gas turbine engine simulation

NASA Technical Reports Server (NTRS)

Curlett, Brian P.; Felder, James L.

1995-01-01

An object-oriented gas turbine engine simulation program was developed. This program is a prototype for a more complete, commercial grade engine performance program now being proposed as part of the Numerical Propulsion System Simulator (NPSS). This report discusses architectural issues of this complex software system and the lessons learned from developing the prototype code. The prototype code is a fully functional, general purpose engine simulation program, however, only the component models necessary to model a transient compressor test rig have been written. The production system will be capable of steady state and transient modeling of almost any turbine engine configuration. Chief among the architectural considerations for this code was the framework in which the various software modules will interact. These modules include the equation solver, simulation code, data model, event handler, and user interface. Also documented in this report is the component based design of the simulation module and the inter-component communication paradigm. Object class hierarchies for some of the code modules are given.

Training, transfer, and retention of three-dimensional spatial memory in virtual environments

NASA Technical Reports Server (NTRS)

Richards, Jason T.; Oman, Charles M.; Shebilske, Wayne L.; Beall, Andrew C.; Liu, Andrew; Natapoff, Alan

2002-01-01

Human orientation requires one to remember and visualize spatial arrangements of landmarks from different perspectives. Astronauts have reported difficulties remembering relationships between environmental landmarks when imagined in arbitrary 3D orientations. The present study investigated the effects of strategy training on humans' 1) ability to infer their orientation from landmarks presented ahead and below, 2) performance when subsequently learning a different array, and 3) retention of configurational knowledge over time. On the first experiment day, 24 subjects were tested in a virtual cubic chamber in which a picture of an animal was drawn on each wall. Through trial-by-trial exposures, they had to memorize the spatial relationships among the six pictures around them and learn to predict the direction to a specific picture when facing any view direction, and in any roll orientation. Half of the subjects ("strategy group") were taught methods for remembering picture groupings, while the remainder received no such training ("control group"). After learning one picture array, the procedure was repeated in a second. Accuracy (% correct) and response time learning curves were measured. Performance for the second array and configurational memory of both arrays were also retested 1, 7, and 30 days later. Results showed that subjects "learned how to learn" this generic 3D spatial memory task regardless of their relative orientation to the environment, that ability and configurational knowledge was retained for at least a month, that figure rotation ability and field independence correlate with performance, and that teaching subjects specific strategies in advance significantly improves performance. Training astronauts to perform a similar generic 3D spatial memory task, and suggesting strategies in advance, may help them orient in three dimensions.

Wind Tunnel Investigation of Passive Vortex Control and Vortex-Tail Interactions on a Slender Wing at Subsonic and Transonic Speeds

NASA Technical Reports Server (NTRS)

Erickson, Gary E.

2013-01-01

A wind tunnel experiment was conducted in the NASA Langley 8-Foot Transonic Pressure Tunnel to determine the effects of passive porosity on vortex flow interactions about a slender wing configuration at subsonic and transonic speeds. Flow-through porosity was applied in several arrangements to a leading-edge extension, or LEX, mounted to a 65-degree cropped delta wing as a longitudinal instability mitigation technique. Test data were obtained with LEX on and off in the presence of a centerline vertical tail and twin, wing-mounted vertical fins to quantify the sensitivity of the aerodynamics to tail placement and orientation. A close-coupled canard was tested as an alternative to the LEX as a passive flow control device. Wing upper surface static pressure distributions and six-component forces and moments were obtained at Mach numbers of 0.50, 0.85, and 1.20, unit Reynolds number of 2.5 million, angles of attack up to approximately 30 degrees, and angles of sideslip to +/-8 degrees. The off-surface flow field was visualized in cross planes on selected configurations using a laser vapor screen flow visualization technique. Tunnel-to-tunnel data comparisons and a Reynolds number sensitivity assessment were also performed. 15.

Turning things downside up: Adsorbate induced water flipping on Pt(111)

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

Kimmel, Gregory A.; Zubkov, Tykhon; Smith, R. Scott

2014-11-14

We have examined the adsorption of the weakly bound species N2, O2, CO and Kr on the water monolayer on Pt(111) using a combination of molecular beam dosing, infrared reflection absorption spectroscopy (IRAS), and temperature programmed desorption (TPD). In contrast to multilayer crystalline ice, the adsorbate-free water monolayer is characterized by a lack of dangling OH bonds protruding into the vacuum (H-up). Instead, the non-hydrogen-bonded OH groups are oriented downward (H-down) to maximize their interaction with the underlying Pt(111) substrate. Adsorption of Kr and O2 have little effect on the structure and vibrational spectrum of the “ ” water monolayermore » while adsorption of both N2, and CO are effective in “flipping” H-down water molecules into an H-up configuration. This “flipping” occurs readily upon adsorption at temperatures as low as 20 K and the water monolayer transforms back to the H-down, “ ” structure upon adsorbate desorption above 35 K, indicating small energy differences and barriers between the H-down and H-up configurations. The results suggest that converting water in the first layer from H-down to H-up is mediated by the electrostatic interactions between the water and the adsorbates.« less

Anisotropy of the Coulomb Interaction between Folded Proteins: Consequences for Mesoscopic Aggregation of Lysozyme

PubMed Central

Chan, Ho Yin; Lankevich, Vladimir; Vekilov, Peter G.; Lubchenko, Vassiliy

2012-01-01

Toward quantitative description of protein aggregation, we develop a computationally efficient method to evaluate the potential of mean force between two folded protein molecules that allows for complete sampling of their mutual orientation. Our model is valid at moderate ionic strengths and accounts for the actual charge distribution on the surface of the molecules, the dielectric discontinuity at the protein-solvent interface, and the possibility of protonation or deprotonation of surface residues induced by the electric field due to the other protein molecule. We apply the model to the protein lysozyme, whose solutions exhibit both mesoscopic clusters of protein-rich liquid and liquid-liquid separation; the former requires that protein form complexes with typical lifetimes of approximately milliseconds. We find the electrostatic repulsion is typically lower than the prediction of the Derjaguin-Landau-Verwey-Overbeek theory. The Coulomb interaction in the lowest-energy docking configuration is nonrepulsive, despite the high positive charge on the molecules. Typical docking configurations barely involve protonation or deprotonation of surface residues. The obtained potential of mean force between folded lysozyme molecules is consistent with the location of the liquid-liquid coexistence, but produces dimers that are too short-lived for clusters to exist, suggesting lysozyme undergoes conformational changes during cluster formation. PMID:22768950

Is there a common orientational order for the liquid phase of tetrahedral molecules?

PubMed

Rey, Rossend

2009-08-14

The title question is addressed with molecular dynamics simulations for a broad set of molecules: methane (CH4), neopentane (C(CH3)4), carbon tetrafluoride (CF4), carbon tetrachloride (CCl4), silicon tetrachloride (SiCl4), vanadium tetrachloride (VCl4), tin tetrachloride (SnCl4), carbon tetrabromide (CBr4), and tin tetraiodide (SnI4). In all cases the sequence of most populated relative orientations, for increasing distances, is found to be identical: The closest distances correspond to face-to-face followed by a dominant role of edge-to-face, while for larger distances the main configuration is edge-to-edge. The corner-to-face configuration plays an almost negligible role. The range of orientational order is also similar, with remnants of orientational correlation discernible up to the fourth solvation shell. The equivalence does not only hold in the qualitative terms just stated but is also quantitative to a large extent once the center-center distance is properly scaled.

Is there a common orientational order for the liquid phase of tetrahedral molecules?

NASA Astrophysics Data System (ADS)

Rey, Rossend

2009-08-01

The title question is addressed with molecular dynamics simulations for a broad set of molecules: methane (CH4), neopentane (C(CH3)4), carbon tetrafluoride (CF4), carbon tetrachloride (CCl4), silicon tetrachloride (SiCl4), vanadium tetrachloride (VCl4), tin tetrachloride (SnCl4), carbon tetrabromide (CBr4), and tin tetraiodide (SnI4). In all cases the sequence of most populated relative orientations, for increasing distances, is found to be identical: The closest distances correspond to face-to-face followed by a dominant role of edge-to-face, while for larger distances the main configuration is edge-to-edge. The corner-to-face configuration plays an almost negligible role. The range of orientational order is also similar, with remnants of orientational correlation discernible up to the fourth solvation shell. The equivalence does not only hold in the qualitative terms just stated but is also quantitative to a large extent once the center-center distance is properly scaled.

Formation of collisionless shocks in magnetized plasma interaction with kinetic-scale obstacles

DOE PAGES

Cruz, F.; Alves, E. P.; Bamford, R. A.; ...

2017-02-06

We investigate the formation of collisionless magnetized shocks triggered by the interaction between magnetized plasma flows and miniature-sized (order of plasma kinetic-scales) magnetic obstacles resorting to massively parallel, full particle-in-cell simulations, including the electron kinetics. The critical obstacle size to generate a compressed plasma region ahead of these objects is determined by independently varying the magnitude of the dipolar magnetic moment and the plasma magnetization. Here we find that the effective size of the obstacle depends on the relative orientation between the dipolar and plasma internal magnetic fields, and we show that this may be critical to form a shockmore » in small-scale structures. We also study the microphysics of the magnetopause in different magnetic field configurations in 2D and compare the results with full 3D simulations. Finally, we evaluate the parameter range where such miniature magnetized shocks can be explored in laboratory experiments.« less

Co-located haptic and 3D graphic interface for medical simulations.

PubMed

Berkelman, Peter; Miyasaka, Muneaki; Bozlee, Sebastian

2013-01-01

We describe a system which provides high-fidelity haptic feedback in the same physical location as a 3D graphical display, in order to enable realistic physical interaction with virtual anatomical tissue during modelled procedures such as needle driving, palpation, and other interventions performed using handheld instruments. The haptic feedback is produced by the interaction between an array of coils located behind a thin flat LCD screen, and permanent magnets embedded in the instrument held by the user. The coil and magnet configuration permits arbitrary forces and torques to be generated on the instrument in real time according to the dynamics of the simulated tissue by activating the coils in combination. A rigid-body motion tracker provides position and orientation feedback of the handheld instrument to the computer simulation, and the 3D display is produced using LCD shutter glasses and a head-tracking system for the user.

Effect of Melt Convection at Various Gravity Levels and Orientations on the Forces Acting on a Large Spherical Particle in the Vicinity of a Solidification Interface

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Sen, Subhayu; Mukherjee, Sundeep; Catalina, Adrian; Stefanescu, Doru M.

2000-01-01

Numerical modeling was Undertaken to analyze the influence of both radial and axial thermal gradients on convection patterns and velocities claiming solidification of pure Al and an Al-4 wt% Cu alloy. The objective of the numerical task was to predict the influence of convective velocity on an insoluble particle near a solid/liquid (s/l) interface. These predictions were then be used to define the minimum gravity level (q) required to investigate the fundamental physics of interactions between a particle and a s/l interface. This is an ongoing NASA founded flight experiment entitled "particle engulfment and pushing by solidifying interfaces (PEP)". Steady-state calculations were performed for different gravity levels and orientations with respect to the gravity vector The furnace configuration used in this analysis is the quench module insert (QMI-1) proposed for the Material Science Research Facility (MSRF) on board the International Space Station (ISS). The general model of binary alloy solidification was based on the finite element code FIDAP. At a low g level of 10(exp -4) g(sub o) (g(sub o) = 9.8 m/square s) maximum melt convection was obtained for an orientation of 90 deg. Calculations showed that even for this worst case orientation the dominant forces acting on the particle are the fundamental drag and interfacial forces.

Potential of a New Lunar Surface Radiator Concept for Hot Lunar Thermal Environments

NASA Technical Reports Server (NTRS)

Ochoa, Dustin A.; Vogel, Matthew R.; Trevino, Luis A.; Stephan, Ryan A.

2008-01-01

The optimum radiator configuration in hot lunar thermal environments is one in which the radiator is parallel to the ground and has no view to the hot lunar surface. However, typical spacecraft configurations have limited real estate available for top-mounted radiators, resulting in a desire to use the spacecraft s vertically oriented sides. Vertically oriented, flat panel radiators will have a large view factor to the lunar surface, and thus will be subjected to significant incident lunar infrared heat. Consequently, radiator fluid temperatures will need to exceed approx.325 K (assuming standard spacecraft radiator optical properties) in order to provide positive heat rejection at lunar noon. Such temperatures are too high for crewed spacecraft applications in which a heat pump is to be avoided. A recent study of vertically oriented radiator configurations subjected to lunar noon thermal environments led to the discovery of a novel radiator concept that yielded positive heat rejection at lower fluid temperatures. This radiator configuration, called the Upright Lunar Terrain Radiator Assembly (ULTRA), has exhibited superior performance to all previously analyzed concepts in terms of heat rejection in the lunar noon thermal environment. A key benefit of the ULTRA is the absence of louvers or other moving parts and its simple geometry. Analysis of the ULTRA for a lunar extravehicular activity (EVA) portable life support system (PLSS) is shown to provide moderate heat rejection, on average, at all solar incident angles assuming an average radiator temperature of 294 K, whereas prior concepts exhibited insignificant heat rejection or heat absorption at higher incident angles. The performance of the ULTRA for a lunar lander is also discussed and compared to the performance of a vertically oriented, flat panel radiator at various lunar latitudes.

Integrated Design Engineering Analysis (IDEA) Environment Automated Generation of Structured CFD Grids using Topology Methods

NASA Technical Reports Server (NTRS)

Kamhawi, Hilmi N.

2012-01-01

This report documents the work performed from March 2010 to March 2012. The Integrated Design and Engineering Analysis (IDEA) environment is a collaborative environment based on an object-oriented, multidisciplinary, distributed framework using the Adaptive Modeling Language (AML) as a framework and supporting the configuration design and parametric CFD grid generation. This report will focus on describing the work in the area of parametric CFD grid generation using novel concepts for defining the interaction between the mesh topology and the geometry in such a way as to separate the mesh topology from the geometric topology while maintaining the link between the mesh topology and the actual geometry.

(S)-N-[1-(5-Benzyl-sulfan-yl-1,3,4-oxa-diazol-2-yl)-2-phenyl-eth-yl]-4-methyl-benzene-sulfonamide.

PubMed

Syed, Tayyaba; Hameed, Shahid; Jones, Peter G

2011-11-01

The title compound, C(24)H(23)N(3)O(3)S(2), crystallizes with two independent mol-ecules in the asymmetric unit. They differ essentially in the orientation of the tolyl rings, between which there is π-π stacking (centroid-centroid distance = 3.01 Å). The absolute configuration was confirmed by the determination of the Flack parameter [x = 0.008 (9)]. In the crystal, mol-ecules are connected by two classical N-H⋯N hydrogen bonds and two weak but very short C-H⋯O(sulfon-yl) inter-actions, forming layers lying parallel to the bc plane.

Tuning thermal conduction via extended defects in graphene

NASA Astrophysics Data System (ADS)

Huang, Huaqing; Xu, Yong; Zou, Xiaolong; Wu, Jian; Duan, Wenhui

2013-05-01

Designing materials for desired thermal conduction can be achieved via extended defects. We theoretically demonstrate the concept by investigating thermal transport in graphene nanoribbons (GNRs) with the extended line defects observed by recent experiments. Our nonequilibrium Green's function study excluding phonon-phonon interactions finds that thermal conductance can be tuned over wide ranges (more than 50% at room temperature), by controlling the orientation and the bond configuration of the embedded extended defect. Further transmission analysis reveals that the thermal-conduction tuning is attributed to two fundamentally different mechanisms, via modifying the phonon dispersion and/or tailoring the strength of defect scattering. The finding, applicable to other materials, provides useful guidance for designing materials with desired thermal conduction.

Monte Carlo simulation of Hamaker nanospheres coated with dipolar particles

NASA Astrophysics Data System (ADS)

Meyra, Ariel G.; Zarragoicoechea, Guillermo J.; Kuz, Victor A.

2012-01-01

Parallel tempering Monte Carlo simulation is carried out in systems of N attractive Hamaker spheres dressed with n dipolar particles, able to move on the surface of the spheres. Different cluster configurations emerge for given values of the control parameters. Energy per sphere, pair distribution functions of spheres and dipoles as function of temperature, density, external electric field, and/or the angular orientation of dipoles are used to analyse the state of aggregation of the system. As a consequence of the non-central interaction, the model predicts complex structures like self-assembly of spheres by a double crown of dipoles. This interesting result could be of help in understanding some recent experiments in colloidal science and biology.

Dynamics of flexible bodies in tree topology - A computer oriented approach

NASA Technical Reports Server (NTRS)

Singh, R. P.; Vandervoort, R. J.; Likins, P. W.

1984-01-01

An approach suited for automatic generation of the equations of motion for large mechanical systems (i.e., large space structures, mechanisms, robots, etc.) is presented. The system topology is restricted to a tree configuration. The tree is defined as an arbitrary set of rigid and flexible bodies connected by hinges characterizing relative translations and rotations of two adjoining bodies. The equations of motion are derived via Kane's method. The resulting equation set is of minimum dimension. Dynamical equations are imbedded in a computer program called TREETOPS. Extensive control simulation capability is built in the TREETOPS program. The simulation is driven by an interactive set-up program resulting in an easy to use analysis tool.

The effect of the configuration and the interior design of a virtual weightless space station on human spatial orientation.

PubMed

Aoki, Hirofumi; Ohno, Ryuzo; Yamaguchi, Takao

2005-01-01

In a virtual weightless environment, subjects' orientation skills were studied to examine what kind of cognitive errors people make when they moved through the interior space of virtual space stations and what kind of visual information effectively decreases those errors. Subjects wearing a head-mounted display moved from one end to the other end in space station-like routes constructed of rectangular and cubical modules, and did Pointing and Modeling tasks. In Experiment 1, configurations of the routes were changed with such variables as the number of bends, the number of embedding planes, and the number of planes with respect to the body posture. The results indicated that spatial orientation ability was relevant to the variables and that orientational errors were explained by two causes. One of these was that the place, the direction, and the sequence of turns were incorrect. The other was that subjects did not recognize the rotation of the frame of reference, especially when they turned in pitch direction rather than in yaw. In Experiment 2, the effect of the interior design was examined by testing three design settings. Wall colors that showed the allocentric frame of reference and the different interior design of vertical and horizontal modules were effective; however, there was a limit to the effectiveness in complicated configurations. c2005 Published by Elsevier Ltd.

40 CFR 1065.130 - Engine exhaust.

Code of Federal Regulations, 2010 CFR

2010-07-01

...-layer effects and to promote mixing. You may orient the crankcase exhaust tube's outlet in any direction... includes any applicable aftertreatment devices. (b) Aftertreatment configuration. If you do not use the... configurations. (2) You may use exhaust tubing that is not from the in-use exhaust system upstream of any...

Extensional rheology of active suspensions

NASA Astrophysics Data System (ADS)

Saintillan, David

2010-05-01

A simple model is presented for the effective extensional rheology of a dilute suspension of active particles, such as self-propelled microswimmers, extending previous classical studies on suspensions of passive rodlike particles. Neglecting particle-particle hydrodynamic interactions, we characterize the configuration of the suspension by an orientation distribution, which satisfies a Fokker-Planck equation including the effects of an external flow field and of rotary diffusion. Knowledge of this orientation distribution then allows the determination of the particle extra stress as a configurational average of the force dipoles exerted by the particles on the fluid, which involve contributions from the imposed flow, rotary diffusion, and the permanent dipoles resulting from activity. Analytical expressions are obtained for the stress tensor in uniaxial extensional and compressional flows, as well as in planar extensional flow. In all types of flows, the effective viscosity is found to increase as a result of activity in suspensions of head-actuated swimmers (pullers) and to decrease in suspensions of tail-actuated swimmers (pushers). In the latter case, a negative particle viscosity is found to occur in weak flows. In planar extensional flow, we also characterize normal stresses, which are enhanced by activity in suspensions of pullers but reduced in suspensions of pushers. Finally, an energetic interpretation of the seemingly unphysical decrease in viscosity predicted in suspensions of pushers is proposed, where the decrease is explained as a consequence of the active power input generated by the swimming particles and is shown not to be directly related to viscous dissipative processes.

Intact perception but abnormal orientation towards face-like objects in young children with ASD

PubMed Central

Guillon, Quentin; Rogé, Bernadette; Afzali, Mohammad H.; Baduel, Sophie; Kruck, Jeanne; Hadjikhani, Nouchine

2016-01-01

There is ample behavioral evidence of diminished orientation towards faces as well as the presence of face perception impairments in autism spectrum disorder (ASD), but the underlying mechanisms of these deficits are still unclear. We used face-like object stimuli that have been shown to evoke pareidolia in typically developing (TD) individuals to test the effect of a global face-like configuration on orientation and perceptual processes in young children with ASD and age-matched TD controls. We show that TD children were more likely to look first towards upright face-like objects than children with ASD, showing that a global face-like configuration elicit a stronger orientation bias in TD children as compared to children with ASD. However, once they were looking at the stimuli, both groups spent more time exploring the upright face-like object, suggesting that they both perceived it as a face. Our results are in agreement with abnormal social orienting in ASD, possibly due to an abnormal tuning of the subcortical pathway, leading to poor orienting and attention towards faces. Our results also indicate that young children with ASD can perceive a generic face holistically, such as face-like objects, further demonstrating holistic processing of faces in ASD. PMID:26912096

Intact perception but abnormal orientation towards face-like objects in young children with ASD.

PubMed

Guillon, Quentin; Rogé, Bernadette; Afzali, Mohammad H; Baduel, Sophie; Kruck, Jeanne; Hadjikhani, Nouchine

2016-02-25

There is ample behavioral evidence of diminished orientation towards faces as well as the presence of face perception impairments in autism spectrum disorder (ASD), but the underlying mechanisms of these deficits are still unclear. We used face-like object stimuli that have been shown to evoke pareidolia in typically developing (TD) individuals to test the effect of a global face-like configuration on orientation and perceptual processes in young children with ASD and age-matched TD controls. We show that TD children were more likely to look first towards upright face-like objects than children with ASD, showing that a global face-like configuration elicit a stronger orientation bias in TD children as compared to children with ASD. However, once they were looking at the stimuli, both groups spent more time exploring the upright face-like object, suggesting that they both perceived it as a face. Our results are in agreement with abnormal social orienting in ASD, possibly due to an abnormal tuning of the subcortical pathway, leading to poor orienting and attention towards faces. Our results also indicate that young children with ASD can perceive a generic face holistically, such as face-like objects, further demonstrating holistic processing of faces in ASD.

Variations in Titan's dune orientations as a result of orbital forcing

NASA Astrophysics Data System (ADS)

McDonald, George D.; Hayes, Alexander G.; Ewing, Ryan C.; Lora, Juan M.; Newman, Claire E.; Tokano, Tetsuya; Lucas, Antoine; Soto, Alejandro; Chen, Gang

2016-05-01

Wind-blown dunes are a record of the climatic history in Titan's equatorial region. Through modeling of the climatic conditions associated with Titan's historical orbital configurations (arising from apsidal precessions of Saturn's orbit), we present evidence that the orientations of the dunes are influenced by orbital forcing. Analysis of 3 Titan general circulation models (GCMs) in conjunction with a sediment transport model provides the first direct intercomparison of results from different Titan GCMs. We report variability in the dune orientations predicted for different orbital epochs of up to 70°. Although the response of the GCMs to orbital forcing varies, the orbital influence on the dune orientations is found to be significant across all models. Furthermore, there is near agreement among the two models run with surface topography, with 3 out of the 5 dune fields matching observation for the most recent orbital cycle. Through comparison with observations by Cassini, we find situations in which the observed dune orientations are in best agreement with those modeled for previous orbital configurations or combinations thereof, representing a larger portion of the cycle. We conclude that orbital forcing could be an important factor in governing the present-day dune orientations observed on Titan and should be considered when modeling dune evolution.

The analysis and large-angle control of a flexible beam using an adaptive truss

NASA Technical Reports Server (NTRS)

Warrington, Thomas J.; Clark, William W.; Robertshaw, Harry H.; Horner, C. Garnett

1991-01-01

This preliminary study of an adaptive truss slewing problem investigates the static positioning of an adaptive truss at slewed orientations and the dynamic vibrations of an attached flexible beam. A nonlinear model of an adaptive truss and flexible beam is derived. Linear control laws are developed and simulated for various truss configurations. Results show the linear control laws developed at a slewed configuration perform best at that configuration.

Interfacial energetics of two-dimensional colloidal clusters generated with a tunable anharmonic interaction potential

NASA Astrophysics Data System (ADS)

Hilou, Elaa; Du, Di; Kuei, Steve; Biswal, Sibani Lisa

2018-02-01

Interfacial characteristics are critical to various properties of two-dimensional (2D) materials such as band alignment at a heterojunction and nucleation kinetics in a 2D crystal. Despite the desire to harness these enhanced interfacial properties for engineering new materials, unexpected phase transitions and defects, unique to the 2D morphology, have left a number of open questions. In particular, the effects of configurational anisotropy, which are difficult to isolate experimentally, and their influence on interfacial properties are not well understood. In this work, we begin to probe this structure-thermodynamic relationship, using a rotating magnetic field to generate an anharmonic interaction potential in a 2D system of paramagnetic particles. At low magnetic field strengths, weakly interacting colloidal particles form non-close-packed, fluidlike droplets, whereas, at higher field strengths, crystallites with hexagonal ordering are observed. We examine spatial and interfacial properties of these 2D colloidal clusters by measuring the local bond orientation order parameter and interfacial stiffness as a function of the interaction strength. To our knowledge, this is the first study to measure the tunable interfacial stiffness of a 2D colloidal cluster by controlling particle interactions using external fields.

Variation in handshape and orientation in British Sign Language: The case of the ‘1’ hand configuration

PubMed Central

Fenlon, Jordan; Schembri, Adam; Rentelis, Ramas; Cormier, Kearsy

2013-01-01

This paper investigates phonological variation in British Sign Language (BSL) signs produced with a ‘1’ hand configuration in citation form. Multivariate analyses of 2084 tokens reveals that handshape variation in these signs is constrained by linguistic factors (e.g., the preceding and following phonological environment, grammatical category, indexicality, lexical frequency). The only significant social factor was region. For the subset of signs where orientation was also investigated, only grammatical function was important (the surrounding phonological environment and social factors were not significant). The implications for an understanding of pointing signs in signed languages are discussed. PMID:23805018

Highly Oriented Graphene Sponge Electrode for Ultra High Energy Density Lithium Ion Hybrid Capacitors.

PubMed

Ahn, Wook; Lee, Dong Un; Li, Ge; Feng, Kun; Wang, Xiaolei; Yu, Aiping; Lui, Gregory; Chen, Zhongwei

2016-09-28

Highly oriented rGO sponge (HOG) can be easily synthesized as an effective anode for application in high-capacity lithium ion hybrid capacitors. X-ray diffraction and morphological analyses show that successfully exfoliated rGO sponge on average consists of 4.2 graphene sheets, maintaining its three-dimensional structure with highly oriented morphology even after the thermal reduction procedure. Lithium-ion hybrid capacitors (LIC) are fabricated in this study based on a unique cell configuration which completely eliminates the predoping process of lithium ions. The full-cell LIC consisting of AC/HOG-Li configuration has resulted in remarkably high energy densities of 231.7 and 131.9 Wh kg(-1) obtained at 57 W kg(-1) and 2.8 kW kg(-1). This excellent performance is attributed to the lithium ion diffusivity related to the intercalation reaction of AC/HOG-Li which is 3.6 times higher that of AC/CG-Li. This unique cell design and configuration of LIC presented in this study using HOG as an effective anode is an unprecedented example of performance enhancement and improved energy density of LIC through successful increase in cell operation voltage window.

Electrode design for electrohydrodynamic conduction pumping

NASA Technical Reports Server (NTRS)

Yagoobi, Jamal Seyed (Inventor)

2007-01-01

An electrohydrodynamic conduction liquid pumping system includes a vessel configured to contain a liquid or a liquid/vapor therein. This vessel can be of a elongate conduit configuration, an elongate channel configuration or a liquid enclosure configuration. At least a single pair of electrodes are disposed in a spaced apart relation to each other on the vessel and configured to be oriented in the liquid. A power supply is coupled to the electrodes and operable to generate electric fields in between the pair of electrodes, the electric forces inducing a net liquid movement relative to the vessel. Various electrode designs are embraced within the concept of this invention.

Case study on the orientation of phaco hand pieces during steam sterilization processes.

PubMed

van Doornmalen Gomez Hoyos, J P C M; van Wezel, R A C; van Doornmalen, H W J M

2015-05-01

Steam sterilization is an essential part of infection prevention. The literature shows that sterilization of medical instruments containing channels is not trivial. Phaco hand pieces have a simple configuration: a device contains a channel with a constant radius. No literature was found indicating whether the sterilization conditions on the inner surface of a phaco hand piece are influenced by the orientation of the hand piece. To determine whether the orientation of a phaco hand piece influences the results of a sterilization process of this device. A qualitative case study, including experiments, is performed with a protocolled combination of steam sterilizer, process, phaco hand piece, orientation of the phaco hand piece, and wrapping. In this specific case, the orientation of the hand piece influenced the result of the steam sterilization process; in vertically (upright) oriented phaco hand pieces with free water drainage, sterilization conditions are reproducibly established. In the same process, in horizontally oriented or vertically oriented hand pieces without free drainage, these conditions are not established in a reproducible way. In the investigated combination of sterilizer, process, load, loading pattern and wrapping, phaco hand pieces have to be oriented vertically (upright) with free water drainage to obtain steam sterilization conditions on the inner surface. It is likely that instruments with comparable configuration and dimensions will yield comparable results. It is therefore recommended that this issue is considered during the development of medical instruments and during performance qualifications of such instruments. Copyright © 2015 The Healthcare Infection Society. Published by Elsevier Ltd. All rights reserved.

The complex magnetic field configuration of the Martian magnetotail as observed by MAVEN

NASA Astrophysics Data System (ADS)

DiBraccio, Gina A.; Luhmann, Janet; Curry, Shannon; Espley, Jared R.; Gruesbeck, Jacob; Xu, Shaosui; Mitchell, David; Soobiah, Yasir; Connerney, John E. P.; Dong, Chuanfei; Harada, Yuki; Ruhunusiri, Suranga; Halekas, Jasper; Hara, Takuya; Ma, Yingjuan; Brain, David; Jakosky, Bruce

2017-10-01

The Martian magnetosphere forms as the solar wind directly interacts with the planet’s upper atmosphere. During this interaction, the Sun’s interplanetary magnetic field (IMF) drapes around the planet and local crustal magnetic fields, creating a magnetosphere configuration that has attributes of both an induced magnetosphere like that of Venus, and a complex, small-scale magnetosphere like the Moon. In addition to the closed crustal fields and draped IMF at Mars, open magnetic fields are created when magnetic reconnection occurs between the planetary fields and the IMF. These various field topologies present a complex magnetotail structure that we are now able to explore using a combination of MAVEN observations and magnetohydrodynamic (MHD) simulations. Preliminary MHD results have suggested that the Martian magnetotail includes a dual-lobe component, composed of open crustal fields, enveloped by an induced comet-like tail. These simulated open-field lobes are twisted by roughly 45°, either clockwise or counterclockwise, from the ecliptic plane. This rotation depends on the east-west component of the IMF. We utilize MAVEN Magnetometer and Solar Wind Ion Analyzer (SWIA) measurements collected over two Earth years to analyze the tail magnetic field configuration as a function of IMF direction. Cross-tail views of the average measured magnetic field components directed toward and away from the planet are compared for a variety of solar wind parameters. We find that, in agreement with simulation results, the east-west IMF component strongly affects the magnetotail structure, twisting its sunward-antisunward polarity patterns in response to changing IMF orientation. Through a data-model comparison we are able to infer that regions of open magnetic fields in the tail are likely reconnected crustal fields. Futhermore, these open fields in the tail may contribute to atmospheric escape to space. From this investigation we are able to confirm that the Martian magnetotail is a hybrid configuration between intrinsic and induced magnetospheres, shifting the paradigm of Mars’ magnetosphere as we have understood it thus far.

Omnidirectional structured light in a flexible configuration.

PubMed

Paniagua, Carmen; Puig, Luis; Guerrero, José J

2013-10-14

Structured light is a perception method that allows us to obtain 3D information from images of the scene by projecting synthetic features with a light emitter. Traditionally, this method considers a rigid configuration, where the position and orientation of the light emitter with respect to the camera are known and calibrated beforehand. In this paper we propose a new omnidirectional structured light system in flexible configuration, which overcomes the rigidness of the traditional structured light systems. We propose the use of an omnidirectional camera combined with a conic pattern light emitter. Since the light emitter is visible in the omnidirectional image, the computation of its location is possible. With this information and the projected conic in the omnidirectional image, we are able to compute the conic reconstruction, i.e., the 3D information of the conic in the space. This reconstruction considers the recovery of the depth and orientation of the scene surface where the conic pattern is projected. One application of our proposed structured light system in flexible configuration consists of a wearable omnicamera with a low-cost laser in hand for visual impaired personal assistance.

Role of Anisotropic Interactions for Proteins and Patchy Nanoparticles

PubMed Central

2015-01-01

Protein–protein interactions are inherently anisotropic to some degree, with orientation-dependent interactions between repulsive and attractive or complementary regions or “patches” on adjacent proteins. In some cases it has been suggested that such patch–patch interactions dominate the thermodynamics of dilute protein solutions, as captured by the osmotic second virial coefficient (B22), but delineating when this will or will not be the case remains an open question. A series of simplified but exactly solvable models are first used to illustrate that a delicate balance exists between the strength of attractive patch–patch interactions and the patch size, and that repulsive patch–patch interactions contribute significantly to B22 for only those conditions where the repulsions are long-ranged. Finally, B22 is reformulated, without approximations, in terms of the density of states for a given interaction energy and particle–particle distance. Doing so illustrates the inherent balance of entropic and energetic contributions to B22. It highlights that simply having strong patch–patch interactions will only cause anisotropic interactions to dominate B22 solution properties if the unavoidable entropic penalties are overcome, which cannot occur if patches are too small. The results also indicate that the temperature dependence of B22 may be a simple experimental means to assess whether a small number of strongly attractive configurations dominate the dilute solution behavior. PMID:25302767

V-Shaped Molecular Configuration of Wax Esters of Jojoba Oil in a Langmuir Film Model.

PubMed

Caruso, Benjamín; Martini, M Florencia; Pickholz, Mónica; Perillo, María A

2018-06-19

The aim of the present work was to understand the interfacial properties of a complex mixture of wax esters (WEs) obtained from Jojoba oil (JO). Previously, on the basis of molecular area measurements, a hairpin structure was proposed as the hypothetical configuration of WEs, allowing their organization as compressible monolayers at the air-water interface. In the present work, we contributed with further experimental evidence by combining surface pressure (π), surface potential (Δ V), and PM-IRRAS measurements of JO monolayers and molecular dynamic simulations (MD) on a modified JO model. WEs were self-assembled in Langmuir films. Compression isotherms exhibited π lift-off at 100 Å 2 /molecule mean molecular area ( A lift-off ) and a collapse point at π c ≈ 2.2 mN/m and A c ≈ 77 Å 2 /molecule. The Δ V profile reflected two dipolar reorganizations, with one of them at A > A lift-off due to the release of loosely bound water molecules and another one at A c < A < A lift-off possibly due to reorientations of a more tightly bound water population. This was consistent with the maximal SP value that was calculated according to a model that considered two populations of oriented water and was very close to the experimental value. The orientation of the ester group that was assumed in that calculation was coherent with the PM-IRRAS behavior of the carbonyl group with the C═O oriented toward the water and the C-O oriented parallel to the surface and was in accordance with their orientational angles (∼45 and ∼90°, respectively) determined by MD simulations. Taken together, the present results confirm a V shape rather than a hairpin configuration of WEs at the air-water interface.

Perceptual and decisional factors influencing the discrimination of inversion in the Thatcher illusion.

PubMed

Cornes, Katherine; Donnelly, Nick; Godwin, Hayward; Wenger, Michael J

2011-06-01

The Thatcher illusion (Thompson, 1980) is considered to be a prototypical illustration of the notion that face perception is dependent on configural processes and representations. We explored this idea by examining the relative contributions of perceptual and decisional processes to the ability of observers to identify the orientation of two classes of forms-faces and churches-and a set of their component features. Observers were presented with upright and inverted images of faces and churches in which the components (eyes, mouth, windows, doors) were presented either upright or inverted. Observers first rated the subjective grotesqueness of all of the images and then performed a complete identification task in which they had to identify the orientation of the overall form and the orientation of each of the interior features. Grotesqueness ratings for both classes of image showed the standard modulation of rated grotesqueness as a function of orientation. The complete identification results revealed violations of both perceptual and decisional separability but failed to reveal any violations of within-stimulus (perceptual) independence. In addition, exploration of a simple bivariate Gaussian signal detection model of the relationship between identification performance and judged grotesqueness suggests that within-stimulus violations of perceptual independence on their own are insufficient for producing the illusion. This lack of evidence for within-stimulus configurality suggests the need for a critical reevaluation of the role of configural processing in the Thatcher illusion. (PsycINFO Database Record (c) 2011 APA, all rights reserved).

Configurational Isomerism in Polyoxovanadates.

PubMed

Mahnke, Lisa K; Kondinski, Aleksandar; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Schalley, Christoph A; Monakhov, Kirill Yu; Kögerler, Paul; Bensch, Wolfgang

2018-03-05

A water-soluble derivative of the polyoxovanadate {V 15 E 6 O 42 } (E=semimetal) archetype enables the study of cluster shell rearrangements driven by supramolecular interactions. A reaction unique to E=Sb, induced exclusively by ligand metathesis in peripheral [Ni(ethylenediamine) 3 ] 2+ counterions, results in the formation of the metastable α 1 * configurational isomer of the {V 14 Sb 8 O 42 } cluster type. Contrary to all other polyoxovanadate shell architectures, this isomer comprises an inward-oriented vanadyl group and is ca. 50 and 12 kJ mol -1 higher in energy than the previously isolated α and β isomers, respectively. We discuss this unexpected reaction in light of supramolecular Sb-O⋅⋅⋅V and Sb-O⋅⋅⋅Sb contacts manifested in {V 14 Sb 8 O 42 } 2 dimers detected in the solid state. ESI MS experiments confirm the stability of these dimers also in solution and in the gas phase. DFT calculations indicate that other, as of yet elusive isomers of {V 14 Sb 8 }, might be accessible as well. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Propulsion and airframe aerodynamic interactions of supersonic V/STOL configurations, phase 1

NASA Technical Reports Server (NTRS)

Mraz, M. R.; Hiley, P. E.

1985-01-01

A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to present two different test techniques. One was a coventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a subscale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously.

Specificity of V1-V2 Orientation Networks in the Primate Visual Cortex

PubMed Central

Roe, Anna W.; Ts'o, Daniel Y.

2015-01-01

The computation of texture and shape involves integration of features of various orientations. Orientation networks within V1 tend to involve cells which share similar orientation selectivity. However, emergent properties in V2 require the integration of multiple orientations. We now show that, unlike interactions within V1, V1-V2 orientation interactions are much less synchronized and are not necessarily orientation dependent. We find V1-V2 orientation networks are of two types: a more tightly synchronized, orientation-preserving network and a less synchronized orientation-diverse network. We suggest that such diversity of V1-V2 interactions underlies the spatial and functional integration required for computation of higher order contour and shape in V2. PMID:26314798

Turning things downside up: Adsorbate induced water flipping on Pt(111)

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

Kimmel, Greg A., E-mail: gregory.kimmel@pnnl.gov, E-mail: bruce.kay@pnnl.gov; Zubkov, Tykhon; Smith, R. Scott

2014-11-14

We have examined the adsorption of the weakly bound species N{sub 2}, O{sub 2}, CO, and Kr on the (√(37)×√(37))R25.3{sup ∘} water monolayer on Pt(111) using a combination of molecular beam dosing, infrared reflection absorption spectroscopy, and temperature programmed desorption. In contrast to multilayer crystalline ice, the adsorbate-free water monolayer is characterized by a lack of dangling OH bonds protruding into the vacuum (H-up). Instead, the non-hydrogen-bonded OH groups are oriented downward (H-down) to maximize their interaction with the underlying Pt(111) substrate. Adsorption of Kr and O{sub 2} have little effect on the structure and vibrational spectrum of the “√(37)”more » water monolayer while adsorption of both N{sub 2}, and CO are effective in “flipping” H-down water molecules into an H-up configuration. This “flipping” occurs readily upon adsorption at temperatures as low as 20 K and the water monolayer transforms back to the H-down, “√(37)” structure upon adsorbate desorption above 35 K, indicating small energy differences and barriers between the H-down and H-up configurations. The results suggest that converting water in the first layer from H-down to H-up is mediated by the electrostatic interactions between the water and the adsorbates.« less

A nanoscale study of charge extraction in organic solar cells: the impact of interfacial molecular configurations.

PubMed

Tang, Fu-Ching; Wu, Fu-Chiao; Yen, Chia-Te; Chang, Jay; Chou, Wei-Yang; Gilbert Chang, Shih-Hui; Cheng, Horng-Long

2015-01-07

In the optimization of organic solar cells (OSCs), a key problem lies in the maximization of charge carriers from the active layer to the electrodes. Hence, this study focused on the interfacial molecular configurations in efficient OSC charge extraction by theoretical investigations and experiments, including small molecule-based bilayer-heterojunction (sm-BLHJ) and polymer-based bulk-heterojunction (p-BHJ) OSCs. We first examined a well-defined sm-BLHJ model system of OSC composed of p-type pentacene, an n-type perylene derivative, and a nanogroove-structured poly(3,4-ethylenedioxythiophene) (NS-PEDOT) hole extraction layer. The OSC with NS-PEDOT shows a 230% increment in the short circuit current density compared with that of the conventional planar PEDOT layer. Our theoretical calculations indicated that small variations in the microscopic intermolecular interaction among these interfacial configurations could induce significant differences in charge extraction efficiency. Experimentally, different interfacial configurations were generated between the photo-active layer and the nanostructured charge extraction layer with periodic nanogroove structures. In addition to pentacene, poly(3-hexylthiophene), the most commonly used electron-donor material system in p-BHJ OSCs was also explored in terms of its possible use as a photo-active layer. Local conductive atomic force microscopy was used to measure the nanoscale charge extraction efficiency at different locations within the nanogroove, thus highlighting the importance of interfacial molecular configurations in efficient charge extraction. This study enriches understanding regarding the optimization of the photovoltaic properties of several types of OSCs by conducting appropriate interfacial engineering based on organic/polymer molecular orientations. The ultimate power conversion efficiency beyond at least 15% is highly expected when the best state-of-the-art p-BHJ OSCs are combined with present arguments.

Some cable suspension systems and their effects on the flexural frequencies of slender aerospace structures

NASA Technical Reports Server (NTRS)

Herr, R. W.

1974-01-01

The effects of several cable suspension configurations on the first free-free flexural frequency of uniform beams have been determined by experiment and analysis. The results of this study confirm that in general the larger the test vehicle the larger is the flexural frequency measurement error attributable to a given cable suspension configuration. For horizontally oriented beams representing modern aerospace vehicles of average size and flexibility, the restraining effects of all but the shortest support cables were minor. The restraining effects of support cables of moderate length attached near the base of vertically oriented vehicles were overshadowed by the effects of beam compression due to gravity.

Real-space identification of intermolecular bonding with atomic force microscopy.

PubMed

Zhang, Jun; Chen, Pengcheng; Yuan, Bingkai; Ji, Wei; Cheng, Zhihai; Qiu, Xiaohui

2013-11-01

We report a real-space visualization of the formation of hydrogen bonding in 8-hydroxyquinoline (8-hq) molecular assemblies on a Cu(111) substrate, using noncontact atomic force microscopy (NC-AFM). The atomically resolved molecular structures enable a precise determination of the characteristics of hydrogen bonding networks, including the bonding sites, orientations, and lengths. The observation of bond contrast was interpreted by ab initio density functional calculations, which indicated the electron density contribution from the hybridized electronic state of the hydrogen bond. Intermolecular coordination between the dehydrogenated 8-hq and Cu adatoms was also revealed by the submolecular resolution AFM characterization. The direct identification of local bonding configurations by NC-AFM would facilitate detailed investigations of intermolecular interactions in complex molecules with multiple active sites.

Development of the Hippocampal Cognitive Map in Pre-weanling Rats

PubMed Central

Wills, Tom; Cacucci, Francesca; Burgess, Neil; O’Keefe, John

2011-01-01

Orienting in large-scale space depends on the interaction of environmental experience and pre-configured, possibly innate, constructs. Place, head-direction and grid cells in the hippocampal formation provide allocentric representations of space. Here we show how these cognitive representations emerge and develop as rat pups first begin to explore their environment. Directional, locational and rhythmic organization of firing are present during initial exploration, including adult-like directional firing. The stability and precision of place cell firing continues to develop throughout juvenility. Stable grid cell firing appears later but matures rapidly to adult levels. Our results demonstrate the presence of three neuronal representations of space prior to extensive experience, and show how they develop with age. PMID:20558720

Integrated dynamic analysis simulation of space stations with controllable solar array

NASA Technical Reports Server (NTRS)

Heinrichs, J. A.; Fee, J. J.

1972-01-01

A methodology is formulated and presented for the integrated structural dynamic analysis of space stations with controllable solar arrays and non-controllable appendages. The structural system flexibility characteristics are considered in the dynamic analysis by a synthesis technique whereby free-free space station modal coordinates and cantilever appendage coordinates are inertially coupled. A digital simulation of this analysis method is described and verified by comparison of interaction load solutions with other methods of solution. Motion equations are simulated for both the zero gravity and artificial gravity (spinning) orbital conditions. Closed loop controlling dynamics for both orientation control of the arrays and attitude control of the space station are provided in the simulation by various generic types of controlling systems. The capability of the simulation as a design tool is demonstrated by utilizing typical space station and solar array structural representations and a specific structural perturbing force. Response and interaction load solutions are presented for this structural configuration and indicate the importance of using an integrated type analysis for the predictions of structural interactions.

Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors

NASA Astrophysics Data System (ADS)

Fales, B. Scott; Shu, Yinan; Levine, Benjamin G.; Hohenstein, Edward G.

2017-09-01

A new complete active space configuration interaction (CASCI) method was recently introduced that uses state-averaged natural orbitals from the configuration interaction singles method (configuration interaction singles natural orbital CASCI, CISNO-CASCI). This method has been shown to perform as well or better than state-averaged complete active space self-consistent field for a variety of systems. However, further development and testing of this method have been limited by the lack of available analytic first derivatives of the CISNO-CASCI energy as well as the derivative coupling between electronic states. In the present work, we present a Lagrangian-based formulation of these derivatives as well as a highly efficient implementation of the resulting equations accelerated with graphical processing units. We demonstrate that the CISNO-CASCI method is practical for dynamical simulations of photochemical processes in molecular systems containing hundreds of atoms.

Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.

PubMed

Fales, B Scott; Shu, Yinan; Levine, Benjamin G; Hohenstein, Edward G

2017-09-07

A new complete active space configuration interaction (CASCI) method was recently introduced that uses state-averaged natural orbitals from the configuration interaction singles method (configuration interaction singles natural orbital CASCI, CISNO-CASCI). This method has been shown to perform as well or better than state-averaged complete active space self-consistent field for a variety of systems. However, further development and testing of this method have been limited by the lack of available analytic first derivatives of the CISNO-CASCI energy as well as the derivative coupling between electronic states. In the present work, we present a Lagrangian-based formulation of these derivatives as well as a highly efficient implementation of the resulting equations accelerated with graphical processing units. We demonstrate that the CISNO-CASCI method is practical for dynamical simulations of photochemical processes in molecular systems containing hundreds of atoms.

Anisotropic orbital occupation and Jahn-Teller distortion of orthorhombic YMnO{sub 3} epitaxial films: A combined experimental and theoretical study on polarization-dependent x-ray absorption spectroscopy

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

Haw, Shu-Chih; Chen, Shin-Ann; National Synchrotron Radiation Research Center

2014-04-21

The b-axis oriented orthorhombic YMnO{sub 3} (o-YMnO{sub 3}) epitaxial films on a YAlO{sub 3} (010) substrate were fabricated with pulsed-laser deposition. The anisotropic orbital occupation and Jahn-Teller (JT) distortion of an o-YMnO{sub 3} film were investigated with polarization-dependent x-ray absorption spectra and configuration-interaction multiplet-cluster calculations. A significant energy difference, ∼3.8 eV, for the main white line along E//b and E//a in polarization-dependent Mn K-edge spectra of o-YMnO{sub 3} indicates an extraordinary JT distortion and significant anisotropic Mn–O bonding within the ab plane in the o-YMnO{sub 3} film. Most importantly, although the orbital occupation of 3d electrons in o-YMnO{sub 3} filmsmore » is almost the same as that in single crystalline o-DyMnO{sub 3}, the JT distortion of o-YMnO{sub 3} films is larger than that of single crystalline o-DyMnO{sub 3}, deduced from the multiplet calculations. We speculate that this JT distortion predominantly contributes to the origin of the cycloidal spin deformation in bulk o-YMnO{sub 3}, because of a suppressed nearest-neighbor superexchange interaction and an enhanced next-nearest-neighbor superexchange interaction. These complementary results provide insight into the origin of the E-type magnetic configuration of o-YMnO{sub 3}.« less

Vacuum fluctuations and radiation reaction contributions to the resonance dipole-dipole interaction between two atoms near a reflecting boundary

NASA Astrophysics Data System (ADS)

Zhou, Wenting; Rizzuto, Lucia; Passante, Roberto

2018-04-01

We investigate the resonance dipole-dipole interaction energy between two identical atoms, one in the ground state and the other in the excited state, interacting with the electromagnetic field in the presence of a perfectly reflecting plane boundary. The atoms are prepared in a correlated (symmetric or antisymmetric) Bell-type state. Following a procedure due to Dalibard et al. [J. Dalibard et al., J. Phys. (Paris) 43, 1617 (1982);, 10.1051/jphys:0198200430110161700 J. Phys. (Paris) 45, 637 (1984), 10.1051/jphys:01984004504063700], we separate the contributions of vacuum fluctuations and radiation reaction (source) field to the resonance interaction energy between the two atoms and show that only the source field contributes to the interatomic interaction, while vacuum field fluctuations do not. By considering specific geometric configurations of the two-atom system with respect to the mirror and specific choices of dipole orientations, we show that the presence of the mirror significantly affects the resonance interaction energy and that different features appear with respect to the case of atoms in free space, for example, a change in the spatial dependence of the interaction. Our findings also suggest that the presence of a boundary can be exploited to tailor and control the resonance interaction between two atoms, as well as the related energy transfer process. The possibility of observing these phenomena is also discussed.

Outer-Sphere Contributions to the Electronic Structure of Type Zero Copper Proteins

PubMed Central

Lancaster, Kyle M.; Zaballa, María-Eugenia; Sproules, Stephen; Sundararajan, Mahesh; DeBeer, Serena; Richards, John H.; Vila, Alejandro J.; Neese, Frank; Gray, Harry B.

2016-01-01

Bioinorganic canon states that active-site thiolate coordination promotes rapid electron transfer (ET) to and from type 1 copper proteins. In recent work, we have found that copper ET sites in proteins also can be constructed without thiolate ligation (called “type zero” sites). Here we report multifrequency electron paramagnetic resonance (EPR), magnetic circular dichroism (MCD), and nuclear magnetic resonance (NMR) spectroscopic data together with density functional theory (DFT) and spectroscopy-oriented configuration interaction (SORCI) calculations for type zero Pseudomonas aeruginosa azurin variants. Wild-type (type 1) and type zero copper centers experience virtually identical ligand fields. Moreover, O-donor covalency is enhanced in type zero centers relative that in the C112D (type 2) protein. At the same time, N-donor covalency is reduced in a similar fashion to type 1 centers. QM/MM and SORCI calculations show that the electronic structures of type zero and type 2 are intimately linked to the orientation and coordination mode of the carboxylate ligand, which in turn is influenced by outer-sphere hydrogen bonding. PMID:22563915

Design of a holographic waveguide with L configuration

NASA Astrophysics Data System (ADS)

Xiang, Guangxin-Xin; Li, Wen-Qiang

2016-10-01

In order to decrease the complexity to design and manufacture the turning grating of the configuration with one reflecting surface, an L-shape two-dimension extended configuration with single plate is given in the paper. This configuration consists of one specular reflecting surface and three holographic gratings two in which periods and the groove orientations are totally same, which makes gratings design and fabrication easier. According to the calculation and analysis to the optical path of configuration, the dimension of the turning grating is no larger than 40mm×30mm. The simulation result demonstrates the display configuration is reasonable and correct and can realize the display effect with 30°×30° field of view and Φ30mm large exit pupil. This configuration can be applied to an Augmented Reality Display (AR) or a Head-Mounted Display (HMD).

Bio-inspired configurable multiscale extracellular matrix-like structures for functional alignment and guided orientation of cells.

PubMed

Bae, Won-Gyu; Kim, Jangho; Choung, Yun-Hoon; Chung, Yesol; Suh, Kahp Y; Pang, Changhyun; Chung, Jong Hoon; Jeong, Hoon Eui

2015-11-01

Inspired by the hierarchically organized protein fibers in extracellular matrix (ECM) as well as the physiological importance of multiscale topography, we developed a simple but robust method for the design and manipulation of precisely controllable multiscale hierarchical structures using capillary force lithography in combination with an original wrinkling technique. In this study, based on our proposed fabrication technology, we approached a conceptual platform that can mimic the hierarchically multiscale topographical and orientation cues of the ECM for controlling cell structure and function. We patterned the polyurethane acrylate-based nanotopography with various orientations on the microgrooves, which could provide multiscale topography signals of ECM to control single and multicellular morphology and orientation with precision. Using our platforms, we found that the structures and orientations of fibroblast cells were greatly influenced by the nanotopography, rather than the microtopography. We also proposed a new approach that enables the generation of native ECM having nanofibers in specific three-dimensional (3D) configurations by culturing fibroblast cells on the multiscale substrata. We suggest that our methodology could be used as efficient strategies for the design and manipulation of various functional platforms, including well-defined 3D tissue structures for advanced regenerative medicine applications. Copyright © 2015 Elsevier Ltd. All rights reserved.

Configural, Metric, and Scalar Invariance of the Modified Achievement Goal Questionnaire across African American and White University Students

ERIC Educational Resources Information Center

Campbell, Hilary L.; Barry, Carol L.; Joe, Jilliam N.; Finney, Sara J.

2008-01-01

There has been growing interest in comparing achievement goal orientations across ethnic groups. Such comparisons, however, cannot be made until validity evidence has been collected to support the use of an achievement goal orientation instrument for that purpose. Therefore, this study investigates the measurement invariance of a particular…

Propulsion and airframe aerodynamic interactions of supersonic V/STOL configurations. Volume 4: Summary

NASA Technical Reports Server (NTRS)

Zilz, D. E.; Wallace, H. W.; Hiley, P. E.

1985-01-01

A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 4 of 4: Final Report- Summary.

Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site

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

Trehan, I.; Beadle, B.M.; Shoichet, B.K.

2010-03-08

{beta}-Lactamases hydrolyze {beta}-lactam antibiotics, including penicillins and cephalosporins; these enzymes are the most widespread resistance mechanism to these drugs and pose a growing threat to public health. {beta}-Lactams that contain a bulky 6(7){alpha} substituent, such as imipenem and moxalactam, actually inhibit serine {beta}-lactamases and are widely used for this reason. Although mutant serine {beta}-lactamases have arisen that hydrolyze {beta}-lactamase resistant {beta}-lactams (e.g., ceftazidime) or avoid mechanism-based inhibitors (e.g., clavulanate), mutant serine {beta}-lactamases have not yet arisen in the clinic with imipenemase or moxalactamase activity. Structural and thermodynamic studies suggest that the 6(7){alpha} substituents of these inhibitors form destabilizing contacts withinmore » the covalent adduct with the conserved Asn152 in class C {beta}-lactamases (Asn132 in class A {beta}-lactamases). This unfavorable interaction may be crucial to inhibition. To test this destabilization hypothesis, we replaced Asn152 with Ala in the class C {beta}-lactamase AmpC from Escherichia coli and examined the mutant enzyme's thermodynamic stability in complex with imipenem and moxalactam. Consistent with the hypothesis, the Asn152 {yields} Ala substitution relieved 0.44 and 1.10 kcal/mol of strain introduced by imipenem and moxalactam, respectively, relative to the wild-type complexes. However, the kinetic efficiency of AmpC N152A was reduced by 6300-fold relative to that of the wild-type enzyme. To further investigate the inhibitor's interaction with the mutant enzyme, the X-ray crystal structure of moxalactam in complex with N152A was determined to a resolution of 1.83 {angstrom}. Moxalactam in the mutant complex is significantly displaced from its orientation in the wild-type complex; however, moxalactam does not adopt an orientation that would restore competence for hydrolysis. Although Asn152 forces {beta}-lactams with 6(7){alpha} substituents out of a catalytically competent configuration, making them inhibitors, the residue is essential for orienting {beta}-lactam substrates and cannot simply be replaced with a much smaller residue to restore catalytic activity. Designing {beta}-lactam inhibitors that interact unfavorably with this conserved residue when in the covalent adduct merits further investigation.« less

Enhancing Interactivity and Productivity through Object-Oriented Authoring: An Instructional Designer's Perspective.

ERIC Educational Resources Information Center

Chapman, Bryan L.

1994-01-01

Discusses the effect of object-oriented programming on the evolution of authoring systems. Topics include the definition of an object; examples of object-oriented authoring interfaces; what object-orientation means to an instructional developer; how object orientation increases productivity and enhances interactivity; and the future of courseware…

Escape time, relaxation, and sticky states of a softened Henon-Heiles model: Low-frequency vibrational mode effects and glass relaxation

NASA Astrophysics Data System (ADS)

Toledo-Marín, J. Quetzalcóatl; Naumis, Gerardo G.

2018-04-01

Here we study the relaxation of a chain consisting of three masses joined by nonlinear springs and periodic conditions when the stiffness is weakened. This system, when expressed in their normal coordinates, yields a softened Henon-Heiles system. By reducing the stiffness of one low-frequency vibrational mode, a faster relaxation is enabled. This is due to a reduction of the energy barrier heights along the softened normal mode as well as for a widening of the opening channels of the energy landscape in configurational space. The relaxation is for the most part exponential, and can be explained by a simple flux equation. Yet, for some initial conditions the relaxation follows as a power law, and in many cases there is a regime change from exponential to power-law decay. We pinpoint the initial conditions for the power-law decay, finding two regions of sticky states. For such states, quasiperiodic orbits are found since almost for all components of the initial momentum orientation, the system is trapped inside two pockets of configurational space. The softened Henon-Heiles model presented here is intended as the simplest model in order to understand the interplay of rigidity, nonlinear interactions and relaxation for nonequilibrium systems such as glass-forming melts or soft matter. Our softened system can be applied to model β relaxation in glasses and suggest that local reorientational jumps can have an exponential and a nonexponential contribution for relaxation, the latter due to asymmetric molecules sticking in cages for certain orientations.

Optimized Radiator Geometries for Hot Lunar Thermal Environments

NASA Technical Reports Server (NTRS)

Ochoa, Dustin

2013-01-01

The optimum radiator configuration in hot lunar thermal environments is one in which the radiator is parallel to the ground and has no view to the hot lunar surface. However, typical spacecraft configurations have limited real estate available for top-mounted radiators, resulting in a desire to use the spacecraft's vertically oriented sides. Vertically oriented, flat panel radiators will have a large view factor to the lunar surface, and thus will be subjected to significant incident lunar infrared heat. Consequently, radiator fluid temperatures will need to exceed approximately 325 K (assuming standard spacecraft radiator optical properties) in order to provide positive heat rejection at lunar noon. Such temperatures are too high for crewed spacecraft applications in which a heat pump is to be avoided. A recent study of vertically oriented radiator configurations subjected to lunar noon thermal environments led to the discovery of a novel radiator concept that yielded positive heat rejection at lower fluid temperatures. This radiator configuration, called the Intense Thermal Infrared Reflector (ITIR), has exhibited superior performance to all previously analyzed concepts in terms of heat rejection in the lunar noon thermal environment. A key benefit of ITIR is the absence of louvers or other moving parts and its simple geometry (no parabolic shapes). ITIR consists of a specularly reflective shielding surface and a diffuse radiating surface joined to form a horizontally oriented V-shape (shielding surface on top). The point of intersection of these surfaces is defined by two angles, those which define the tilt of each surface with respect to the local horizontal. The optimum set of these angles is determined on a case-by-case basis. The idea assumes minimal conductive heat transfer between shielding and radiating surfaces, and a practical design would likely stack sets of these surfaces on top of one another to reduce radiator thickness.

The choice of product indicators in latent variable interaction models: post hoc analyses.

PubMed

Foldnes, Njål; Hagtvet, Knut Arne

2014-09-01

The unconstrained product indicator (PI) approach is a simple and popular approach for modeling nonlinear effects among latent variables. This approach leaves the practitioner to choose the PIs to be included in the model, introducing arbitrariness into the modeling. In contrast to previous Monte Carlo studies, we evaluated the PI approach by 3 post hoc analyses applied to a real-world case adopted from a research effort in social psychology. The measurement design applied 3 and 4 indicators for the 2 latent 1st-order variables, leaving the researcher with a choice among more than 4,000 possible PI configurations. Sixty so-called matched-pair configurations that have been recommended in previous literature are of special interest. In the 1st post hoc analysis we estimated the interaction effect for all PI configurations, keeping the real-world sample fixed. The estimated interaction effect was substantially affected by the choice of PIs, also across matched-pair configurations. Subsequently, a post hoc Monte Carlo study was conducted, with varying sample sizes and data distributions. Convergence, bias, Type I error and power of the interaction test were investigated for each matched-pair configuration and the all-pairs configuration. Variation in estimates across matched-pair configurations for a typical sample was substantial. The choice of specific configuration significantly affected convergence and the interaction test's outcome. The all-pairs configuration performed overall better than the matched-pair configurations. A further advantage of the all-pairs over the matched-pairs approach is its unambiguity. The final study evaluates the all-pairs configuration for small sample sizes and compares it to the non-PI approach of latent moderated structural equations. PsycINFO Database Record (c) 2014 APA, all rights reserved.

Crystal structure of 2-((1E)-{2-[bis-(2-methyl-benzyl-sulfan-yl)methyl-idene]hydrazin-1-yl-idene}meth-yl)-6-meth-oxy-phenol.

PubMed

Yusof, Enis Nadia Md; Ravoof, Thahira Begum S A; Tahir, Mohamed Ibrahim Mohamed; Tiekink, Edward R T

2015-04-01

In the title compound, C25H26N2O2S2, the central CN2S2 atoms are almost coplanar (r.m.s. deviation = 0.0058 Å). One phenyl ring clearly lies to one side of the central plane, while the other is oriented in the plane but splayed. Despite the different relative orientations, the phenyl rings form similar dihedral angles of 64.90 (3) and 70.06 (3)° with the central plane, and 63.28 (4)° with each other. The benzene ring is twisted with respect to the central plane, forming a dihedral angle of 13.17 (7)°. The S2C=N, N-N and N-N=C bond lengths of 1.2919 (19), 1.4037 (17) and 1.2892 (19) Å, respectively, suggest limited conjugation over these atoms; the configuration about the N-N=C bond is E. An intra-molecular O-H⋯N hydrogen bond is noted. In the crystal, phen-yl-meth-oxy C-H⋯O and phen-yl-phenyl C-H⋯π inter-actions lead to supra-molecular double chains parallel to the b axis. These are connected into a layer via meth-yl-phenyl C-H⋯π inter-actions, and layers stack along the a axis, being connected by weak π-π inter-actions between phenyl rings [inter-centroid distance = 3.9915 (9) Å] so that a three-dimensional architecture ensues.

Virtual environment display for a 3D audio room simulation

NASA Astrophysics Data System (ADS)

Chapin, William L.; Foster, Scott

1992-06-01

Recent developments in virtual 3D audio and synthetic aural environments have produced a complex acoustical room simulation. The acoustical simulation models a room with walls, ceiling, and floor of selected sound reflecting/absorbing characteristics and unlimited independent localizable sound sources. This non-visual acoustic simulation, implemented with 4 audio ConvolvotronsTM by Crystal River Engineering and coupled to the listener with a Poihemus IsotrakTM, tracking the listener's head position and orientation, and stereo headphones returning binaural sound, is quite compelling to most listeners with eyes closed. This immersive effect should be reinforced when properly integrated into a full, multi-sensory virtual environment presentation. This paper discusses the design of an interactive, visual virtual environment, complementing the acoustic model and specified to: 1) allow the listener to freely move about the space, a room of manipulable size, shape, and audio character, while interactively relocating the sound sources; 2) reinforce the listener's feeling of telepresence into the acoustical environment with visual and proprioceptive sensations; 3) enhance the audio with the graphic and interactive components, rather than overwhelm or reduce it; and 4) serve as a research testbed and technology transfer demonstration. The hardware/software design of two demonstration systems, one installed and one portable, are discussed through the development of four iterative configurations. The installed system implements a head-coupled, wide-angle, stereo-optic tracker/viewer and multi-computer simulation control. The portable demonstration system implements a head-mounted wide-angle, stereo-optic display, separate head and pointer electro-magnetic position trackers, a heterogeneous parallel graphics processing system, and object oriented C++ program code.

Parallel tempering Monte Carlo simulations of lysozyme orientation on charged surfaces

NASA Astrophysics Data System (ADS)

Xie, Yun; Zhou, Jian; Jiang, Shaoyi

2010-02-01

In this work, the parallel tempering Monte Carlo (PTMC) algorithm is applied to accurately and efficiently identify the global-minimum-energy orientation of a protein adsorbed on a surface in a single simulation. When applying the PTMC method to simulate lysozyme orientation on charged surfaces, it is found that lysozyme could easily be adsorbed on negatively charged surfaces with "side-on" and "back-on" orientations. When driven by dominant electrostatic interactions, lysozyme tends to be adsorbed on negatively charged surfaces with the side-on orientation for which the active site of lysozyme faces sideways. The side-on orientation agrees well with the experimental results where the adsorbed orientation of lysozyme is determined by electrostatic interactions. As the contribution from van der Waals interactions gradually dominates, the back-on orientation becomes the preferred one. For this orientation, the active site of lysozyme faces outward, which conforms to the experimental results where the orientation of adsorbed lysozyme is co-determined by electrostatic interactions and van der Waals interactions. It is also found that despite of its net positive charge, lysozyme could be adsorbed on positively charged surfaces with both "end-on" and back-on orientations owing to the nonuniform charge distribution over lysozyme surface and the screening effect from ions in solution. The PTMC simulation method provides a way to determine the preferred orientation of proteins on surfaces for biosensor and biomaterial applications.

Interactions between visual working memory representations.

PubMed

Bae, Gi-Yeul; Luck, Steven J

2017-11-01

We investigated whether the representations of different objects are maintained independently in working memory or interact with each other. Observers were shown two sequentially presented orientations and required to reproduce each orientation after a delay. The sequential presentation minimized perceptual interactions so that we could isolate interactions between memory representations per se. We found that similar orientations were repelled from each other whereas dissimilar orientations were attracted to each other. In addition, when one of the items was given greater attentional priority by means of a cue, the representation of the high-priority item was not influenced very much by the orientation of the low-priority item, but the representation of the low-priority item was strongly influenced by the orientation of the high-priority item. This indicates that attention modulates the interactions between working memory representations. In addition, errors in the reported orientations of the two objects were positively correlated under some conditions, suggesting that representations of distinct objects may become grouped together in memory. Together, these results demonstrate that working-memory representations are not independent but instead interact with each other in a manner that depends on attentional priority.

Brief Report: Effect of Spatial Complexity on Visual Short-Term Memory and Self-Reported Autistic-Like Traits in Typically Developed Individuals

ERIC Educational Resources Information Center

Takahashi, Junichi; Gyoba, Jiro; Yamawaki, Nozomi

2013-01-01

This report examines effects of the spatial complexity of configurations on visual short-term memory (VSTM) capacity for individuals from the general population differing on autism-spectrum quotient (AQ) scores. During each trial, nine-line segments with various orientations were arrayed in simple or complex configurations and presented in both…

Optically controlled polarization in highly oriented ferroelectric thin films

NASA Astrophysics Data System (ADS)

Borkar, Hitesh; Tomar, M.; Gupta, Vinay; Katiyar, Ram S.; Scott, J. F.; Kumar, Ashok

2017-08-01

The out-of-plane and in-plane polarization of (Pb0.6Li0.2Bi0.2)(Zr0.2Ti0.8)O3 (PLBZT) thin film has been studied in the dark and under illumination from a weak light source of a comparable bandgap. A highly oriented PLBZT thin film was grown on a LaNiO3/LaAlO3 substrate by pulsed laser deposition; it showed well-saturated polarization which was significantly enhanced under light illumination. We employed two configurations for polarization characterization: the first deals with out-of-plane polarization with a single capacitor under investigation, whereas the second uses two capacitors connected in series via the bottom electrode. Two different configurations were illuminated using different energy sources and their effects were studied. The latter configuration shows a significant change in polarization under light illumination that may provide an extra degree of freedom for device miniaturization. The polarization was also tested using positive-up and negative-down measurements, confirming robust polarization and its switching under illumination.

Comfort-oriented vehicle suspension design with skyhook inerter configuration

NASA Astrophysics Data System (ADS)

Hu, Yinlong; Chen, Michael Z. Q.; Sun, Yonghui

2017-09-01

This paper is concerned with the comfort-oriented vehicle suspension design problem by using a skyhook inerter configuration. The rationale of the skyhook inerter is to use a grounded inerter to virtually increase the sprung mass of a vehicle, as it is analytically demonstrated that increasing the sprung mass can always improve the ride comfort performance. Semi-active means to realize the skyhook inerter configuration are investigated by using semi-active inerters. Three control laws, that is the on-off control, the anti-chatter on-off control, and the continuous control, are proposed for the semi-active inerter to approximate the skyhook inerter. Numerical simulations are performed to demonstrate the effectiveness and performances of these control laws. It is shown that the semi-active realizations of the skyhook inerter by using the proposed control laws can achieve over 10% improvement compared with the traditional strut, and similar performances are obtained for these control laws, with slight differences with respect to different static stiffnesses of the suspension system.

Plasmonic Structure Integrated Single-Photon Detector Configurations to Improve Absorptance and Polarization Contrast

PubMed Central

Csete, Mária; Szekeres, Gábor; Szenes, András; Szalai, Anikó; Szabó, Gábor

2015-01-01

Configurations capable of maximizing both the absorption component of system detection efficiency and the achievable polarization contrast were determined for 1550 nm polarized light illumination of different plasmonic structure integrated superconducting nanowire single-photon detectors (SNSPDs) consisting of p = 264 nm and P = 792 nm periodic niobium nitride (NbN) patterns on silica substrate. Global effective NbN absorptance maxima appear in case of p/s-polarized light illumination in S/P-orientation (γ = 90°/0° azimuthal angle) and the highest polarization contrast is attained in S-orientation of all devices. Common nanophotonical origin of absorptance enhancement is collective resonance on nanocavity gratings with different profiles, which is promoted by coupling between localized modes in quarter-wavelength metal-insulator-metal nanocavities and laterally synchronized Brewster-Zenneck-type surface waves in integrated SNSPDs possessing a three-quarter-wavelength-scaled periodicity. The spectral sensitivity and dispersion characteristics reveal that device design specific optimal configurations exist. PMID:25654724

A parametric numerical study of mixing in a cylindrical duct

NASA Astrophysics Data System (ADS)

Oechsle, V. L.; Mongia, H. C.; Holderman, J. D.

1992-07-01

The interaction is described of some of the important parameters affecting the mixing process in a quick mixing region of a rich burn/quick mix/lean burn (RQL) combustor. The performance of the quick mixing region is significantly affected by the geometric designs of both the mixing domain and the jet inlet orifices. Several of the important geometric parameters and operating conditions affecting the mixing process were analytically studied. Parameters such as jet-to-mainstream momentum flux ratio (J), mass flow ratio (MR), orifice geometry, orifice orientation, and number of orifices/row (equally spaced around the circumferential direction were analyzed. Three different sets of orifice shapes were studied: (1) square, (2) elongated slots, and (3) equilateral triangles. Based on the analytical results, the best mixing configuration depends significantly on the penetration depth of the jet to prevent the hot mainstream flow from being entrained behind the orifice. The structure in a circular mixing section is highly weighted toward the outer wall and any mixing structure affecting this area significantly affects the overall results. The increase in the number of orifices per row increases the mixing at higher J conditions. Higher slot slant angles and aspect ratios are generally the best mixing configurations at higher momentum flux ratio (J) conditions. However, the square and triangular shaped orifices were more effective mixing configurations at lower J conditions.

Self-assembly of metal nanowires induced by alternating current electric fields

NASA Astrophysics Data System (ADS)

García-Sánchez, Pablo; Arcenegui, Juan J.; Morgan, Hywel; Ramos, Antonio

2015-01-01

We describe the reversible assembly of an aqueous suspension of metal nanowires into two different 2-dimensional stable configurations. The assembly is induced by an AC electric field of magnitude around 10 kV/m. It is known that single metal nanowires orientate parallel to the electric field for all values of applied frequency, according to two different mechanisms depending on the frequency. These different mechanisms also govern the mutual interaction between nanowires, which leads to directed-assembly into distinctive structures, the shape of which depends on the frequency of the applied field. We show that for frequencies higher than the typical frequency for charging the electrical double layer at the metal-electrolyte interface, dipole-dipole interaction leads to the formation of chains of nanowires. For lower frequencies, the nanowires form wavy bands perpendicular to the electric field direction. This behavior appears to be driven by the electroosmotic flow induced on the metal surface of the nanowires. Remarkably, no similar structures have been reported in previous studies of nanowires.

Control/structure interaction conceptual design tool

NASA Technical Reports Server (NTRS)

Briggs, Hugh C.

1990-01-01

The JPL Control/Structure Interaction Program is developing new analytical methods for designing micro-precision spacecraft with controlled structures. One of these, the Conceptual Design Tool, will illustrate innovative new approaches to the integration of multi-disciplinary analysis and design methods. The tool will be used to demonstrate homogeneity of presentation, uniform data representation across analytical methods, and integrated systems modeling. The tool differs from current 'integrated systems' that support design teams most notably in its support for the new CSI multi-disciplinary engineer. The design tool will utilize a three dimensional solid model of the spacecraft under design as the central data organization metaphor. Various analytical methods, such as finite element structural analysis, control system analysis, and mechanical configuration layout, will store and retrieve data from a hierarchical, object oriented data structure that supports assemblies of components with associated data and algorithms. In addition to managing numerical model data, the tool will assist the designer in organizing, stating, and tracking system requirements.

Spin-orbit coupling induced two-electron relaxation in silicon donor pairs

NASA Astrophysics Data System (ADS)

Song, Yang; Das Sarma, S.

2017-09-01

We unravel theoretically a key intrinsic relaxation mechanism among the low-lying singlet and triplet donor-pair states in silicon, an important element in the fast-developing field of spintronics and quantum computation. Despite the perceived weak spin-orbit coupling (SOC) in Si, we find that our discovered relaxation mechanism, combined with the electron-phonon and interdonor interactions, drives the transitions in the two-electron states over a large range of donor coupling regimes. The scaling of the relaxation rate with interdonor exchange interaction J goes from J5 to J4 at the low to high temperature limits. Our analytical study draws on the symmetry analysis over combined band, donor envelope, and valley configurations. It uncovers naturally the dependence on the donor-alignment direction and triplet spin orientation, and especially on the dominant SOC source from donor impurities. While a magnetic field is not necessary for this relaxation, unlike in the single-donor spin relaxation, we discuss the crossover behavior with increasing Zeeman energy in order to facilitate comparison with experiments.

Propulsion and airframe aerodynamic interactions of supersonic V/STOL configurations. Volume 1: Wind tunnel test pressure data report

NASA Technical Reports Server (NTRS)

Zilz, D. E.; Devereaux, P. A.

1985-01-01

A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 1 of 2: Wind Tunnel Test Pressure Data Report.

Modalities of Infant-Mother Interaction in Japanese, Japanese American Immigrant, and European American Dyads

PubMed Central

Bornstein, Marc H.; Cote, Linda R.; Haynes, O. Maurice; Suwalsky, Joan T. D.; Bakeman, Roger

2011-01-01

Cultural variation in relations and moment-to-moment contingencies of infant-mother person-oriented and object-oriented interactions were examined and compared in 118 Japanese, Japanese American immigrant, and European American dyads with 5.5-month-olds. Infant and mother person-oriented behaviors were positively related in all cultural groups, but infant and mother object-oriented behaviors were positively related only among European Americans. In all groups, infant and mother behaviors within each modality were mutually contingent. Culture moderated lead-lag relations: Japanese infants were more likely than their mothers to respond in object-oriented interactions, European American mothers were more likely than their infants to respond in person-oriented interactions. Japanese American dyads behaved more like European American dyads. Interaction, infant effects, and parent socialization findings are set in cultural and accultural models of transactions between young infants and their mothers. PMID:22860874

Revealing the preferred interlayer orientations and stackings of two-dimensional bilayer gallium selenide crystals.

PubMed

Li, Xufan; Basile, Leonardo; Yoon, Mina; Ma, Cheng; Puretzky, Alexander A; Lee, Jaekwang; Idrobo, Juan C; Chi, Miaofang; Rouleau, Christopher M; Geohegan, David B; Xiao, Kai

2015-02-23

Characterizing and controlling the interlayer orientations and stacking orders of two-dimensional (2D) bilayer crystals and van der Waals (vdW) heterostructures is crucial to optimize their electrical and optoelectronic properties. The four polymorphs of layered gallium selenide (GaSe) crystals that result from different layer stackings provide an ideal platform to study the stacking configurations in 2D bilayer crystals. Through a controllable vapor-phase deposition method, bilayer GaSe crystals were selectively grown and their two preferred 0° or 60° interlayer rotations were investigated. The commensurate stacking configurations (AA' and AB stacking) in as-grown bilayer GaSe crystals are clearly observed at the atomic scale, and the Ga-terminated edge structure was identified using scanning transmission electron microscopy. Theoretical analysis reveals that the energies of the interlayer coupling are responsible for the preferred orientations among the bilayer GaSe crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced retinal vasculature imaging with a rapidly configurable aperture

PubMed Central

Sapoznik, Kaitlyn A.; Luo, Ting; de Castro, Alberto; Sawides, Lucie; Warner, Raymond L.; Burns, Stephen A.

2018-01-01

In adaptive optics scanning laser ophthalmoscope (AOSLO) systems, capturing multiply scattered light can increase the contrast of the retinal microvasculature structure, cone inner segments, and retinal ganglion cells. Current systems generally use either a split detector or offset aperture approach to collect this light. We tested the ability of a spatial light modulator (SLM) as a rapidly configurable aperture to use more complex shapes to enhance the contrast of retinal structure. Particularly, we varied the orientation of a split detector aperture and explored the use of a more complex shape, the half annulus, to enhance the contrast of the retinal vasculature. We used the new approach to investigate the influence of scattering distance and orientation on vascular imaging. PMID:29541524

Vortex-generating coolant-flow-passage design for increased film-cooling effectiveness and surface coverage

NASA Astrophysics Data System (ADS)

Papell, S. S.

1984-11-01

The thermal film-cooling footprints observed by infrared imagery for three coolant-passage configurations embedded in adiabatic-test plates are discussed. The configurations included a standard round-hole cross section and two orientations of a vortex-generating flow passage. Both orientations showed up to factors of four increases in both film-cooling effectiveness and surface coverage over that obtained with the round coolant passage. The crossflow data covered a range of tunnel velocities from 15.5 to 45 m/sec with blowing rates from 0.20 to 2.05. A photographic streakline flow visualization technique supported the concept of the counterrotating apability of the flow passage design and gave visual credence to its role in inhibiting flow separation.

Vortex-generating coolant-flow-passage design for increased film-cooling effectiveness and surface coverage

NASA Technical Reports Server (NTRS)

Papell, S. S.

1984-01-01

The thermal film-cooling footprints observed by infrared imagery for three coolant-passage configurations embedded in adiabatic-test plates are discussed. The configurations included a standard round-hole cross section and two orientations of a vortex-generating flow passage. Both orientations showed up to factors of four increases in both film-cooling effectiveness and surface coverage over that obtained with the round coolant passage. The crossflow data covered a range of tunnel velocities from 15.5 to 45 m/sec with blowing rates from 0.20 to 2.05. A photographic streakline flow visualization technique supported the concept of the counterrotating apability of the flow passage design and gave visual credence to its role in inhibiting flow separation.

Comparison of cell behavior on pva/pva-gelatin electrospun nanofibers with random and aligned configuration

NASA Astrophysics Data System (ADS)

Huang, Chen-Yu; Hu, Keng-Hsiang; Wei, Zung-Hang

2016-12-01

Electrospinning technique is able to create nanofibers with specific orientation. Poly(vinyl alcohol) (PVA) have good mechanical stability but poor cell adhesion property due to the low affinity of protein. In this paper, extracellular matrix, gelatin is incorporated into PVA solution to form electrospun PVA-gelatin nanofibers membrane. Both randomly oriented and aligned nanofibers are used to investigate the topography-induced behavior of fibroblasts. Surface morphology of the fibers is studied by optical microscopy and scanning electron microscopy (SEM) coupled with image analysis. Functional group composition in PVA or PVA-gelatin is investigated by Fourier Transform Infrared (FTIR). The morphological changes, surface coverage, viability and proliferation of fibroblasts influenced by PVA and PVA-gelatin nanofibers with randomly orientated or aligned configuration are systematically compared. Fibroblasts growing on PVA-gelatin fibers show significantly larger projected areas as compared with those cultivated on PVA fibers which p-value is smaller than 0.005. Cells on PVA-gelatin aligned fibers stretch out extensively and their intracellular stress fiber pull nucleus to deform. Results suggest that instead of the anisotropic topology within the scaffold trigger the preferential orientation of cells, the adhesion of cell membrane to gelatin have substantial influence on cellular behavior.

Time-dependent analysis of the mixed-field orientation of molecules without rotational symmetry

NASA Astrophysics Data System (ADS)

Thesing, Linda V.; Küpper, Jochen; González-Férez, Rosario

2017-06-01

We present a theoretical study of the mixed-field orientation of molecules without rotational symmetry. The time-dependent one-dimensional and three-dimensional orientation of a thermal ensemble of 6-chloropyridazine-3-carbonitrile molecules in combined linearly or elliptically polarized laser fields and tilted dc electric fields is computed. The results are in good agreement with recent experimental results of one-dimensional orientation for weak dc electric fields [J. L. Hansen, J. Chem. Phys. 139, 234313 (2013)]. Moreover, they predict that using elliptically polarized laser fields or strong dc fields, three-dimensional orientation is obtained. The field-dressed dynamics of excited rotational states is characterized by highly non-adiabatic effects. We analyze the sources of these non-adiabatic effects and investigate their impact on the mixed-field orientation for different field configurations in mixed-field-orientation experiments.

Structural design criteria applicable to a space shuttle

NASA Technical Reports Server (NTRS)

1972-01-01

The structural criteria are limited to general and mission-oriented criteria and are not configuration specific. Care was taken to ensure that the criteria will not restrict configuration development and will not establish the overall risk level. In some instances, margins of confidence are indicated, not only because experience shows them to be necessary but also because technology now permits quantitative values to be established.

Spatially rearranged object parts can facilitate perception of intact whole objects.

PubMed

Cacciamani, Laura; Ayars, Alisabeth A; Peterson, Mary A

2014-01-01

The familiarity of an object depends on the spatial arrangement of its parts; when the parts are spatially rearranged, they form a novel, unrecognizable configuration. Yet the same collection of parts comprises both the familiar and novel configuration. Is it possible that the collection of familiar parts activates a representation of the intact familiar configuration even when they are spatially rearranged? We presented novel configurations as primes before test displays that assayed effects on figure-ground perception from memories of intact familiar objects. In our test displays, two equal-area regions shared a central border; one region depicted a portion of a familiar object. Previous research with such displays has shown that participants are more likely to perceive the region depicting a familiar object as the figure and the abutting region as its ground when the familiar object is depicted in its upright orientation rather than upside down. The novel primes comprised either the same or a different collection of parts as the familiar object in the test display (part-rearranged and control primes, respectively). We found that participants were more likely to perceive the familiar region as figure in upright vs. inverted displays following part-rearranged primes but not control primes. Thus, priming with a novel configuration comprising the same familiar parts as the upcoming figure-ground display facilitated orientation-dependent effects of object memories on figure assignment. Similar results were obtained when the spatially rearranged collection of parts was suggested on the groundside of the prime's border, suggesting that familiar parts in novel configurations access the representation of their corresponding intact whole object before figure assignment. These data demonstrate that familiar parts access memories of familiar objects even when they are arranged in a novel configuration.

Spatially rearranged object parts can facilitate perception of intact whole objects

PubMed Central

Cacciamani, Laura; Ayars, Alisabeth A.; Peterson, Mary A.

2014-01-01

The familiarity of an object depends on the spatial arrangement of its parts; when the parts are spatially rearranged, they form a novel, unrecognizable configuration. Yet the same collection of parts comprises both the familiar and novel configuration. Is it possible that the collection of familiar parts activates a representation of the intact familiar configuration even when they are spatially rearranged? We presented novel configurations as primes before test displays that assayed effects on figure-ground perception from memories of intact familiar objects. In our test displays, two equal-area regions shared a central border; one region depicted a portion of a familiar object. Previous research with such displays has shown that participants are more likely to perceive the region depicting a familiar object as the figure and the abutting region as its ground when the familiar object is depicted in its upright orientation rather than upside down. The novel primes comprised either the same or a different collection of parts as the familiar object in the test display (part-rearranged and control primes, respectively). We found that participants were more likely to perceive the familiar region as figure in upright vs. inverted displays following part-rearranged primes but not control primes. Thus, priming with a novel configuration comprising the same familiar parts as the upcoming figure-ground display facilitated orientation-dependent effects of object memories on figure assignment. Similar results were obtained when the spatially rearranged collection of parts was suggested on the groundside of the prime's border, suggesting that familiar parts in novel configurations access the representation of their corresponding intact whole object before figure assignment. These data demonstrate that familiar parts access memories of familiar objects even when they are arranged in a novel configuration. PMID:24904495

Propulsion and airframe aerodynamic interactions of supersonic V/STOL configurations. Volume 2: Wind tunnel test force and moment data report

NASA Technical Reports Server (NTRS)

Zilz, D. E.

1985-01-01

A wind tunnel model of a supersonic V/STOL fighter configuration has been tested to measure the aerodynamic interaction effects which can result from geometrically close-coupled propulsion system/airframe components. The approach was to configure the model to represent two different test techniques. One was a conventional test technique composed of two test modes. In the Flow-Through mode, absolute configuration aerodynamics are measured, including inlet/airframe interactions. In the Jet-Effects mode, incremental nozzle/airframe interactions are measured. The other test technique is a propulsion simulator approach, where a sub-scale, externally powered engine is mounted in the model. This allows proper measurement of inlet/airframe and nozzle/airframe interactions simultaneously. This is Volume 2 of 2: Wind Tunnel Test Force and Moment Data Report.

Orientation dependent modulation of apparent speed: a model based on the dynamics of feed-forward and horizontal connectivity in V1 cortex.

PubMed

Seriès, Peggy; Georges, Sébastien; Lorenceau, Jean; Frégnac, Yves

2002-11-01

Psychophysical and physiological studies suggest that long-range horizontal connections in primary visual cortex participate in spatial integration and contour processing. Until recently, little attention has been paid to their intrinsic temporal properties. Recent physiological studies indicate, however, that the propagation of activity through long-range horizontal connections is slow, with time scales comparable to the perceptual scales involved in motion processing. Using a simple model of V1 connectivity, we explore some of the implications of this slow dynamics. The model predicts that V1 responses to a stimulus in the receptive field can be modulated by a previous stimulation, a few milliseconds to a few tens of milliseconds before, in the surround. We analyze this phenomenon and its possible consequences on speed perception, as a function of the spatio-temporal configuration of the visual inputs (relative orientation, spatial separation, temporal interval between the elements, sequence speed). We show that the dynamical interactions between feed-forward and horizontal signals in V1 can explain why the perceived speed of fast apparent motion sequences strongly depends on the orientation of their elements relative to the motion axis and can account for the range of speed for which this perceptual effect occurs (Georges, Seriès, Frégnac and Lorenceau, this issue).

Rheo-SAXS investigation of shear-thinning behaviour of very anisometric repulsive disc-like clay suspensions.

PubMed

Philippe, A M; Baravian, C; Imperor-Clerc, M; De Silva, J; Paineau, E; Bihannic, I; Davidson, P; Meneau, F; Levitz, P; Michot, L J

2011-05-18

Aqueous suspensions of swelling clay minerals exhibit a rich and complex rheological behaviour. In particular, these repulsive systems display strong shear-thinning at very low volume fractions in both the isotropic and gel states. In this paper, we investigate the evolution with shear of the orientational distribution of aqueous clay suspensions by synchrotron-based rheo-SAXS experiments using a Couette device. Measurements in radial and tangential configurations were carried out for two swelling clay minerals of similar morphology and size, Wyoming montmorillonite and Idaho beidellite. The shear evolution of the small angle x-ray scattering (SAXS) patterns displays significantly different features for these two minerals. The detailed analysis of the angular dependence of the SAXS patterns in both directions provides the average Euler angles of the statistical effective particle in the shear plane. We show that for both samples, the average orientation is fully controlled by the local shear stress around the particle. We then apply an effective approach to take into account multiple hydrodynamic interactions in the system. Using such an approach, it is possible to calculate the evolution of viscosity as a function of shear rate from the knowledge of the average orientation of the particles. The viscosity thus recalculated almost perfectly matches the measured values as long as collective effects are not too important in the system.

Extended use of superconducting magnets for bio-medical development

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

Stoynev, Stoyan E.

Magnetic fields interact with biological cells affecting them in variety of ways which are usually hard to predict. Among them, it was observed that strong fields can align dividing cells in a preferred direction. It was also demonstrated that dividing cancer cells are effectively destroyed by applying electric fields in vivo with a success rate dependent on the cell-to-field orientation. Based on these facts, the present note aims to suggest the use of magnetic and electric fields for improved cancer treatment. Several possibilities of generating the electric fields inside the magnetic field volume are reviewed, main tentative approaches are describedmore » and discussed. Most if not all of them require special magnet configuration research which can be based on existing magnet systems in operation or in development.« less

Dynamical approach to heavy-ion induced fusion using actinide target

NASA Astrophysics Data System (ADS)

Aritomo, Y.; Hagino, K.; Chiba, S.; Nishio, K.

2012-10-01

To treat heavy-ion reactions using actinide target nucleus, we propose a model which takes into account the coupling to the collective states of interacting nuclei in the penetration of the Coulomb barrier and the dynamical evolution of nuclear shape from the contact configuration. A fluctuation-dissipation model (Langevin equation) was applied in the dynamical calculation, where effect of nuclear orientation at the initial impact on the prolately deformed target nucleus was considered. Using this model, we analyzed the experimental data for the mass distribution of fission fragments (MDFF) in the reaction of 36S+238U at several incident energies. Fusion-fission, quasifission and deep-quasi-fission are separated as different trajectories on the potential energy surface. We estimated the fusion cross section of the reaction.

Composite containment systems for jet engine fan blades

NASA Technical Reports Server (NTRS)

Smith, G. T.

1981-01-01

The use of composites in fan blade containment systems is investigated and the associated structural benefits of the composite system design are identified. Two basic types of containment structures were investigated. The short finned concept was evaluated using Kevlar/epoxy laminates for fins which were mounted in a 6061 T-6 aluminum ring. The long fin concept was evaluated with Kevlar/epoxy, 6Al4V titanium, and 2024 T-3 aluminum fins. The unfinned configurations consisted of the base-line steel sheet, a circumferentially oriented aluminum honeycomb, and a Kevlar cloth filled ring. Results obtained show that a substantial reduction in the fan blade containment system weight is possible. Minimization of damage within the engine arising from impact interaction between blade debris and the engine structure is also achieved.

Aeroelastic tailoring and structural optimization of joined-wing configurations

NASA Astrophysics Data System (ADS)

Lee, Dong-Hwan

2002-08-01

Methodology for integrated aero-structural design was developed using formal optimization. ASTROS (Automated STRuctural Optimization System) was used as an analyzer and an optimizer for performing joined-wing weight optimization with stress, displacement, cantilever or body-freedom flutter constraints. As a pre/post processor, MATLAB was used for generating input file of ASTROS and for displaying the results of the ASTROS. The effects of the aeroelastic constraints on the isotropic and composite joined-wing weight were examined using this developed methodology. The aeroelastic features of a joined-wing aircraft were examined using both the Rayleigh-Ritz method and a finite element based aeroelastic stability and weight optimization procedure. Aircraft rigid-body modes are included to analyze of body-freedom flutter of the joined-wing aircraft. Several parametric studies were performed to determine the most important parameters that affect the aeroelastic behavior of a joined-wing aircraft. The special feature of a joined-wing aircraft is body-freedom flutter involving frequency interaction of the first elastic mode and the aircraft short period mode. In most parametric study cases, the body-freedom flutter speed was less than the cantilever flutter speed that is independent of fuselage inertia. As fuselage pitching moment of inertia was increased, the body-freedom flutter speed increased. When the pitching moment of inertia reaches a critical value, transition from body-freedom flutter to cantilever flutter occurred. The effects of composite laminate orientation on the front and rear wings of a joined-wing configuration were studied. An aircraft pitch divergence mode, which occurred because of forward movement of center of pressure due to wing deformation, was found. Body-freedom flutter and cantilever-like flutter were also found depending on combination of front and rear wing ply orientations. Optimized wing weight behaviors of the planar and non-planar configurations with isotropic and composite materials were investigated. Wing weight optimization of the composite joined-wing result in less weight compared to the metallic wing. Fuselage flexibility affects joined-wing flutter characteristics. Elastic mode shapes of the wing were affected by fuselage deformation and change the flutter speeds compared to the rigid fuselage. Body-freedom flutter speeds decrease as fuselage flexibility increases. Optimum wing weights increase as fuselage flexibility increases. Flutter analysis of a box wing configuration investigated the effects of center of gravity location and pitch moment of inertia on flutter speed.

Fatigue pre-cracking and fracture toughness in polycrystalline tungsten and molybdenum

NASA Astrophysics Data System (ADS)

Taguchi, Katsuya; Nakadate, Kazuhito; Matsuo, Satoru; Tokunaga, Kazutoshi; Kurishita, Hiroaki

2018-01-01

Fatigue pre-cracking performance and fracture toughness in polycrystalline tungsten (W) and molybdenum (Mo) have been investigated in relation to grain boundary (GB) configuration with respect to the crack advance direction. Sub-sized, single edge notched bend (SENB) specimens with three different orientations, R-L (ASTM notation) for a forged Mo rod and L-S and T-S for a rolled W plate, were pre-cracked in two steps: fully uniaxial compression fatigue loading to provoke crack initiation and its stable growth from the notch root, and subsequent 3-point bend (3PB) fatigue loading to extend the crack. The latter step intends to minimize the influence of the residual tensile stresses generated during compression fatigue by moving the crack tip away from the plastic zone. It is shown that fatigue pre-cracking performance, especially pre-crack extension behavior, is significantly affected by the specimen orientation. The R-L orientation, giving the easiest cracking path, permitted crack extension completely beyond the plastic zone, while the L-S and T-S orientations with the thickness cracking direction of the rolled plate sustained the crack lengths around or possibly within the plastic zone size due to difficulty in crack advance through an aligned grain structure. Room temperature fracture toughness tests revealed that the 3PB fatigued specimens exhibited appreciably higher fracture toughness by about 30% for R-L, 40% for L-S and 60% for T-S than the specimens of each orientation pre-cracked by compression fatigue only. This indicates that 3PB fatigue provides the crack tip front out of the residual tensile stress zone by crack extension or leads to reduction in the residual stresses at the crack tip front. Strong dependence of fracture toughness on GB configuration was evident. The obtained fracture toughness values are compared with those in the literature and its strong GB configuration dependence is discussed in connection with the appearance of pop-in.

A computer program for fitting smooth surfaces to an aircraft configuration and other three dimensional geometries

NASA Technical Reports Server (NTRS)

Craidon, C. B.

1975-01-01

A computer program that uses a three-dimensional geometric technique for fitting a smooth surface to the component parts of an aircraft configuration is presented. The resulting surface equations are useful in performing various kinds of calculations in which a three-dimensional mathematical description is necessary. Programs options may be used to compute information for three-view and orthographic projections of the configuration as well as cross-section plots at any orientation through the configuration. The aircraft geometry input section of the program may be easily replaced with a surface point description in a different form so that the program could be of use for any three-dimensional surface equations.

ABrowse--a customizable next-generation genome browser framework.

PubMed

Kong, Lei; Wang, Jun; Zhao, Shuqi; Gu, Xiaocheng; Luo, Jingchu; Gao, Ge

2012-01-05

With the rapid growth of genome sequencing projects, genome browser is becoming indispensable, not only as a visualization system but also as an interactive platform to support open data access and collaborative work. Thus a customizable genome browser framework with rich functions and flexible configuration is needed to facilitate various genome research projects. Based on next-generation web technologies, we have developed a general-purpose genome browser framework ABrowse which provides interactive browsing experience, open data access and collaborative work support. By supporting Google-map-like smooth navigation, ABrowse offers end users highly interactive browsing experience. To facilitate further data analysis, multiple data access approaches are supported for external platforms to retrieve data from ABrowse. To promote collaborative work, an online user-space is provided for end users to create, store and share comments, annotations and landmarks. For data providers, ABrowse is highly customizable and configurable. The framework provides a set of utilities to import annotation data conveniently. To build ABrowse on existing annotation databases, data providers could specify SQL statements according to database schema. And customized pages for detailed information display of annotation entries could be easily plugged in. For developers, new drawing strategies could be integrated into ABrowse for new types of annotation data. In addition, standard web service is provided for data retrieval remotely, providing underlying machine-oriented programming interface for open data access. ABrowse framework is valuable for end users, data providers and developers by providing rich user functions and flexible customization approaches. The source code is published under GNU Lesser General Public License v3.0 and is accessible at http://www.abrowse.org/. To demonstrate all the features of ABrowse, a live demo for Arabidopsis thaliana genome has been built at http://arabidopsis.cbi.edu.cn/.

Determination of High-affinity Antibody-antigen Binding Kinetics Using Four Biosensor Platforms.

PubMed

Yang, Danlin; Singh, Ajit; Wu, Helen; Kroe-Barrett, Rachel

2017-04-17

Label-free optical biosensors are powerful tools in drug discovery for the characterization of biomolecular interactions. In this study, we describe the use of four routinely used biosensor platforms in our laboratory to evaluate the binding affinity and kinetics of ten high-affinity monoclonal antibodies (mAbs) against human proprotein convertase subtilisin kexin type 9 (PCSK9). While both Biacore T100 and ProteOn XPR36 are derived from the well-established Surface Plasmon Resonance (SPR) technology, the former has four flow cells connected by serial flow configuration, whereas the latter presents 36 reaction spots in parallel through an improvised 6 x 6 crisscross microfluidic channel configuration. The IBIS MX96 also operates based on the SPR sensor technology, with an additional imaging feature that provides detection in spatial orientation. This detection technique coupled with the Continuous Flow Microspotter (CFM) expands the throughput significantly by enabling multiplex array printing and detection of 96 reaction sports simultaneously. In contrast, the Octet RED384 is based on the BioLayer Interferometry (BLI) optical principle, with fiber-optic probes acting as the biosensor to detect interference pattern changes upon binding interactions at the tip surface. Unlike the SPR-based platforms, the BLI system does not rely on continuous flow fluidics; instead, the sensor tips collect readings while they are immersed in analyte solutions of a 384-well microplate during orbital agitation. Each of these biosensor platforms has its own advantages and disadvantages. To provide a direct comparison of these instruments' ability to provide quality kinetic data, the described protocols illustrate experiments that use the same assay format and the same high-quality reagents to characterize antibody-antigen kinetics that fit the simple 1:1 molecular interaction model.

Causal functional contributions and interactions in the attention network of the brain: an objective multi-perturbation analysis.

PubMed

Zavaglia, Melissa; Hilgetag, Claus C

2016-06-01

Spatial attention is a prime example for the distributed network functions of the brain. Lesion studies in animal models have been used to investigate intact attentional mechanisms as well as perspectives for rehabilitation in the injured brain. Here, we systematically analyzed behavioral data from cooling deactivation and permanent lesion experiments in the cat, where unilateral deactivation of the posterior parietal cortex (in the vicinity of the posterior middle suprasylvian cortex, pMS) or the superior colliculus (SC) cause a severe neglect in the contralateral hemifield. Counterintuitively, additional deactivation of structures in the opposite hemisphere reverses the deficit. Using such lesion data, we employed a game-theoretical approach, multi-perturbation Shapley value analysis (MSA), for inferring functional contributions and network interactions of bilateral pMS and SC from behavioral performance in visual attention studies. The approach provides an objective theoretical strategy for lesion inferences and allows a unique quantitative characterization of regional functional contributions and interactions on the basis of multi-perturbations. The quantitative analysis demonstrated that right posterior parietal cortex and superior colliculus made the strongest positive contributions to left-field orienting, while left brain regions had negative contributions, implying that their perturbation may reverse the effects of contralateral lesions or improve normal function. An analysis of functional modulations and interactions among the regions revealed redundant interactions (implying functional overlap) between regions within each hemisphere, and synergistic interactions between bilateral regions. To assess the reliability of the MSA method in the face of variable and incomplete input data, we performed a sensitivity analysis, investigating how much the contribution values of the four regions depended on the performance of specific configurations and on the prediction of unknown performances. The results suggest that the MSA approach is sensitive to categorical, but insensitive to gradual changes in the input data. Finally, we created a basic network model that was based on the known anatomical interactions among cortical-tectal regions and reproduced the experimentally observed behavior in visual orienting. We discuss the structural organization of the network model relative to the causal modulations identified by MSA, to aid a mechanistic understanding of the attention network of the brain.

Construction of CASCI-type wave functions for very large active spaces.

PubMed

Boguslawski, Katharina; Marti, Konrad H; Reiher, Markus

2011-06-14

We present a procedure to construct a configuration-interaction expansion containing arbitrary excitations from an underlying full-configuration-interaction-type wave function defined for a very large active space. Our procedure is based on the density-matrix renormalization group (DMRG) algorithm that provides the necessary information in terms of the eigenstates of the reduced density matrices to calculate the coefficient of any basis state in the many-particle Hilbert space. Since the dimension of the Hilbert space scales binomially with the size of the active space, a sophisticated Monte Carlo sampling routine is employed. This sampling algorithm can also construct such configuration-interaction-type wave functions from any other type of tensor network states. The configuration-interaction information obtained serves several purposes. It yields a qualitatively correct description of the molecule's electronic structure, it allows us to analyze DMRG wave functions converged for the same molecular system but with different parameter sets (e.g., different numbers of active-system (block) states), and it can be considered a balanced reference for the application of a subsequent standard multi-reference configuration-interaction method.

Analysis of 20 magnetic clouds at 1 AU during a solar minimum

NASA Astrophysics Data System (ADS)

Gulisano, A. M.; Dasso, S.; Mandrini, C. H.; Démoulin, P.

We study 20 magnetic clouds, observed in situ by the spacecraft Wind, at the Lagrangian point L1, from 22 August, 1995, to 7 November, 1997. In previous works, assuming a cylindrical symmetry for the local magnetic configuration and a satellite trajectory crossing the axis of the cloud, we obtained their orientations using a minimum variance analysis. In this work we compute the orientations and magnetic configurations using a non-linear simultaneous fit of the geometric and physical parameters for a linear force-free model, including the possibility of a not null impact parameter. We quantify global magnitudes such as the relative magnetic helicity per unit length and compare the values found with both methods (minimum variance and the simultaneous fit). FULL TEXT IN SPANISH

An ontology-based system for context-aware and configurable services to support home-based continuous care.

PubMed

Paganelli, Federica; Giuli, Dino

2011-03-01

Continuous care models for chronic diseases pose several technology-oriented challenges for home-based care, where assistance services rely on a close collaboration among different stakeholders, such as health operators, patient relatives, and social community members. This paper describes an ontology-based context model and a related context management system providing a configurable and extensible service-oriented framework to ease the development of applications for monitoring and handling patient chronic conditions. The system has been developed in a prototypal version, and integrated with a service platform for supporting operators of home-based care networks in cooperating and sharing patient-related information and coordinating mutual interventions for handling critical and alarm situations. Finally, we discuss experimentation results and possible further research directions.

Origin and Function of Tuning Diversity in Macaque Visual Cortex

PubMed Central

Goris, Robbe L.T.; Simoncelli, Eero P.; Movshon, J. Anthony

2016-01-01

SUMMARY Neurons in visual cortex vary in their orientation selectivity. We measured responses of V1 and V2 cells to orientation mixtures and fit them with a model whose stimulus selectivity arises from the combined effects of filtering, suppression, and response nonlinearity. The model explains the diversity of orientation selectivity with neuron-to-neuron variability in all three mechanisms, of which variability in the orientation bandwidth of linear filtering is the most important. The model also accounts for the cells’ diversity of spatial frequency selectivity. Tuning diversity is matched to the needs of visual encoding. The orientation content found in natural scenes is diverse, and neurons with different selectivities are adapted to different stimulus configurations. Single orientations are better encoded by highly selective neurons, while orientation mixtures are better encoded by less selective neurons. A diverse population of neurons therefore provides better overall discrimination capabilities for natural images than any homogeneous population. PMID:26549331

Full Eulerian simulations of biconcave neo-Hookean particles in a Poiseuille flow

NASA Astrophysics Data System (ADS)

Sugiyama, Kazuyasu; , Satoshi, II; Takeuchi, Shintaro; Takagi, Shu; Matsumoto, Yoichiro

2010-03-01

For a given initial configuration of a multi-component geometry represented by voxel-based data on a fixed Cartesian mesh, a full Eulerian finite difference method facilitates solution of dynamic interaction problems between Newtonian fluid and hyperelastic material. The solid volume fraction, and the left Cauchy-Green deformation tensor are temporally updated on the Eulerian frame, respectively, to distinguish the fluid and solid phases, and to describe the solid deformation. The simulation method is applied to two- and three-dimensional motions of two biconcave neo-Hookean particles in a Poiseuille flow. Similar to the numerical study on the red blood cell motion in a circular pipe (Gong et al. in J Biomech Eng 131:074504, 2009), in which Skalak’s constitutive laws of the membrane are considered, the deformation, the relative position and orientation of a pair of particles are strongly dependent upon the initial configuration. The increase in the apparent viscosity is dependent upon the developed arrangement of the particles. The present Eulerian approach is demonstrated that it has the potential to be easily extended to larger system problems involving a large number of particles of complicated geometries.

Gyrokinetic simulation of driftwave instability in field-reversed configuration

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

Fulton, D. P., E-mail: dfulton@trialphaenergy.com; University of California, Irvine, California 92697; Lau, C. K.

2016-05-15

Following the recent remarkable progress in magnetohydrodynamic (MHD) stability control in the C-2U advanced beam driven field-reversed configuration (FRC), turbulent transport has become one of the foremost obstacles on the path towards an FRC-based fusion reactor. Significant effort has been made to expand kinetic simulation capabilities in FRC magnetic geometry. The recently upgraded Gyrokinetic Toroidal Code (GTC) now accommodates realistic magnetic geometry from the C-2U experiment at Tri Alpha Energy, Inc. and is optimized to efficiently handle the FRC's magnetic field line orientation. Initial electrostatic GTC simulations find that ion-scale instabilities are linearly stable in the FRC core for realisticmore » pressure gradient drives. Estimated instability thresholds from linear GTC simulations are qualitatively consistent with critical gradients determined from experimental Doppler backscattering fluctuation data, which also find ion scale modes to be depressed in the FRC core. Beyond GTC, A New Code (ANC) has been developed to accurately resolve the magnetic field separatrix and address the interaction between the core and scrape-off layer regions, which ultimately determines global plasma confinement in the FRC. The current status of ANC and future development targets are discussed.« less

Gyrokinetic simulation of driftwave instability in field-reversed configuration

NASA Astrophysics Data System (ADS)

Fulton, D. P.; Lau, C. K.; Schmitz, L.; Holod, I.; Lin, Z.; Tajima, T.; Binderbauer, M. W.

2016-05-01

Following the recent remarkable progress in magnetohydrodynamic (MHD) stability control in the C-2U advanced beam driven field-reversed configuration (FRC), turbulent transport has become one of the foremost obstacles on the path towards an FRC-based fusion reactor. Significant effort has been made to expand kinetic simulation capabilities in FRC magnetic geometry. The recently upgraded Gyrokinetic Toroidal Code (GTC) now accommodates realistic magnetic geometry from the C-2U experiment at Tri Alpha Energy, Inc. and is optimized to efficiently handle the FRC's magnetic field line orientation. Initial electrostatic GTC simulations find that ion-scale instabilities are linearly stable in the FRC core for realistic pressure gradient drives. Estimated instability thresholds from linear GTC simulations are qualitatively consistent with critical gradients determined from experimental Doppler backscattering fluctuation data, which also find ion scale modes to be depressed in the FRC core. Beyond GTC, A New Code (ANC) has been developed to accurately resolve the magnetic field separatrix and address the interaction between the core and scrape-off layer regions, which ultimately determines global plasma confinement in the FRC. The current status of ANC and future development targets are discussed.

Computer-aided operations engineering with integrated models of systems and operations

NASA Technical Reports Server (NTRS)

Malin, Jane T.; Ryan, Dan; Fleming, Land

1994-01-01

CONFIG 3 is a prototype software tool that supports integrated conceptual design evaluation from early in the product life cycle, by supporting isolated or integrated modeling, simulation, and analysis of the function, structure, behavior, failures and operation of system designs. Integration and reuse of models is supported in an object-oriented environment providing capabilities for graph analysis and discrete event simulation. Integration is supported among diverse modeling approaches (component view, configuration or flow path view, and procedure view) and diverse simulation and analysis approaches. Support is provided for integrated engineering in diverse design domains, including mechanical and electro-mechanical systems, distributed computer systems, and chemical processing and transport systems. CONFIG supports abstracted qualitative and symbolic modeling, for early conceptual design. System models are component structure models with operating modes, with embedded time-related behavior models. CONFIG supports failure modeling and modeling of state or configuration changes that result in dynamic changes in dependencies among components. Operations and procedure models are activity structure models that interact with system models. CONFIG is designed to support evaluation of system operability, diagnosability and fault tolerance, and analysis of the development of system effects of problems over time, including faults, failures, and procedural or environmental difficulties.

Structural features of small benzene clusters (C6H6)n (n ≤ 30) as investigated with the all-atom OPLS potential.

PubMed

Takeuchi, Hiroshi

2012-10-18

The structures of the simplest aromatic clusters, benzene clusters (C(6)H(6))(n), are not well elucidated. In the present study, benzene clusters (C(6)H(6))(n) (n ≤ 30) were investigated with the all-atom optimized parameters for liquid simulation (OPLS) potential. The global minima and low-lying minima of the benzene clusters were searched with the heuristic method combined with geometrical perturbations. The structural features and growth sequence of the clusters were examined by carrying out local structure analyses and structural similarity evaluation with rotational constants. Because of the anisotropic interaction between the benzene molecules, the local structures consisting of 13 molecules are considerably deviated from regular icosahedron, and the geometries of some of the clusters are inconsistent with the shapes constructed by the interior molecules. The distribution of the angle between the lines normal to two neighboring benzene rings is anisotropic in the clusters, whereas that in the liquid benzene is nearly isotropic. The geometries and energies of the low-lying configurations and the saddle points between them suggest that most of the configurations previously detected in supersonic expansions take different orientations for one to four neighboring molecules.

On the Interpretation of the level structure of the Ground 3d5 Manifold of Mn III, Fe IV, Co V and Ni VI

NASA Astrophysics Data System (ADS)

Leushin, A. M.

2011-10-01

The level structure of the ground 3d5 configuration of Mn2+, Fe3+, Co4+ and Ni5+ ions was theoretically interpreted by means of a least-squares fit of the energy parameters to the observed values within the framework of the single-configuration approximation. In the Hamiltonian in addition to real electrostatic, spin-orbit, and spin-spin interactions, electrostatic and spin-orbit interactions correlated by configuration mixing were included. It was shown that the correct positions of almost all the energy levels are determined when the Hamiltonian includes the terms of the lineal (two-body operators) and nonlinear (three-body operators) theory of the configuration interaction. The most correct theoretical description of the experimental spectra was obtained by taking into account relativistic interactions and correlation effects of spin-orbit interactions. Adjustable parameters of the interactions included into the Hamiltonian were found.

Understanding the oriented-attachment growth of nanocrystals from an energy point of view: a review

NASA Astrophysics Data System (ADS)

Lv, Weiqiang; He, Weidong; Wang, Xiaoning; Niu, Yinghua; Cao, Huanqi; Dickerson, James H.; Wang, Zhiguo

2014-02-01

Since Penn et al. first discovered the oriented attachment growth of crystals, the oriented attachment mechanism has now become a major research focus in the crystal field, and extensive efforts have been carried out over the past decade to systematically investigate the growth mechanism and the statistical kinetic models. However, most of the work mainly focuses on the experimental results on the oriented attachment growth. In contrast to the previous reviews, our review provides an overview of the recent theoretical advances in oriented attachment kinetics combined with experimental evidences. After a brief introduction to the van der Waals interaction and Coulombic interaction in a colloidal system, the correlation between the kinetic models of oriented attachment growth and the interactions is then our focus. The impact of in situ experimental observation techniques on the study of oriented attachment growth is examined with insightful examples. In addition, the advances in theoretical simulations mainly investigating the thermodynamic origin of these interactions at the atomic level are reviewed. This review seeks to understand the oriented attachment crystal growth from a kinetic point of view and provide a quantitative methodology to rationally design an oriented attachment system with pre-evaluated crystal growth parameters.

Contributions of visual and embodied expertise to body perception.

PubMed

Reed, Catherine L; Nyberg, Andrew A; Grubb, Jefferson D

2012-01-01

Recent research has demonstrated that our perception of the human body differs from that of inanimate objects. This study investigated whether the visual perception of the human body differs from that of other animate bodies and, if so, whether that difference could be attributed to visual experience and/or embodied experience. To dissociate differential effects of these two types of expertise, inversion effects (recognition of inverted stimuli is slower and less accurate than recognition of upright stimuli) were compared for two types of bodies in postures that varied in typicality: humans in human postures (human-typical), humans in dog postures (human-atypical), dogs in dog postures (dog-typical), and dogs in human postures (dog-atypical). Inversion disrupts global configural processing. Relative changes in the size and presence of inversion effects reflect changes in visual processing. Both visual and embodiment expertise predict larger inversion effects for human over dog postures because we see humans more and we have experience producing human postures. However, our design that crosses body type and typicality leads to distinct predictions for visual and embodied experience. Visual expertise predicts an interaction between typicality and orientation: greater inversion effects should be found for typical over atypical postures regardless of body type. Alternatively, embodiment expertise predicts a body, typicality, and orientation interaction: larger inversion effects should be found for all human postures but only for atypical dog postures because humans can map their bodily experience onto these postures. Accuracy data supported embodiment expertise with the three-way interaction. However, response-time data supported contributions of visual expertise with larger inversion effects for typical over atypical postures. Thus, both types of expertise affect the visual perception of bodies.

N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(I) and iridium(I): structural investigations and preliminary catalytic evaluation.

PubMed

Dunsford, Jay J; Tromp, Dorette S; Cavell, Kingsley J; Elsevier, Cornelis J; Kariuki, Benson M

2013-05-28

A series of new N-alkyl functionalised 6- and 7-membered expanded ring N-heterocyclic carbene (NHC) pro-ligands 3-6 and their corresponding complexes of rhodium(I) and iridium(I), [M(NHC)(COD)Cl] 7-14 and [M(NHC)(CO)2Cl] 15-22 are described. The complexes have been characterised by (1)H and (13)C{(1)H} NMR, mass spectrometry, IR and X-ray diffraction. It is noted from X-ray diffraction studies that the N-alkyl substituents are found to orientate themselves away from the metal centre due to unfavourable steric interactions resulting in low percent buried volume (%V(bur)) values in the solid state. The heterocycle ring size is also found to dictate the spatial orientation of the N-alkyl substituents in the neopentyl functionalised derivatives 10 and 14. The 7-membered derivative 14 allows for a conformational 'twist' of the heterocycle ring with the N-alkyl substituents adopting a mutually trans configuration with respect to each other, while the more rigid 6-membered system 10 does not allow for this conformational 'twist' and consequently the N-alkyl substituents adopt a mutually cis configuration. The σ-donor function of this new class of expanded ring NHC ligand has also been probed by measured IR stretching frequencies of the [M(NHC)(CO)2Cl] complexes 15-22. A preliminary catalytic survey of the hydrogenation of functionalised alkenes with molecular hydrogen under mild conditions has also been undertaken with complex , affording an insight into the application of large ring NHC ancillary ligands bearing N-alkyl substituents in hydrogenation transformations.

First-Principles Study of the Self-Assembled Pentacene Molecules on Metal Surfaces

NASA Astrophysics Data System (ADS)

Lee, Kyuho; Han, Myung-Joon; Yu, Jaejun

2003-03-01

Oriented thin films of organic semiconducting small molecules have received considerable attention as active semiconductors for device applications such as Schottky diodes and thin-film transistors (TFTs). Among these organic materials, pentacene has been found to have the highest mobilities for hole transport. Understanding the formation of self-organized ad-layers of pentacene would contribute to the fabrication of nanostructures and possibly highly oriented pentacene layers by epitaxy for use in electronic devices. To understand the ordering patterns of pentacene ad-layers on metal surfaces, we investigated the energetics between pentacene molecules with and without metal substrates and analyzed its electronic structure. We used a self-consistent first-principles calculation method based on the density functional theory (DFT) within local density approximation (LDA). The localized pseudo-atomic orbitals (PAO) are employed for a real-space numerical basis set, which was suggested by Sankey and Niklewski, and the Troullier-Martins-type pseudo-potential is used. As results, we found that the ordering patterns can be explained by the energetics between pentacene molecules, and the metal substrates appears not to influence too much on the interaction between pentacenes. To investigate the nature of the self-assembled structure, we calculated the total energies of various configurations for the molecule pattern, e.g., side-by-side and head-to-head ordering or on-top stacking. Depending on its direction, extremely different interaction character between two pentacenes is found and explained by its electronic structure analysis.

Virtual-reality-Based 3D navigation training for emergency egress from spacecraft.

PubMed

Aoki, Hirofumi; Oman, Charles M; Natapoff, Alan

2007-08-01

Astronauts have reported spatial disorientation and navigation problems inside spacecraft whose interior visual vertical direction varies from module to module. If they had relevant preflight practice they might orient better. This experiment examined the influence of relative body orientation and individual spatial skills during VR training on a simulated emergency egress task. During training, 36 subjects were each led on 12 tours through a space station by a virtual tour guide. Subjects wore a head-mounted display and controlled their motion with a game-pad. Each tour traversed multiple modules and involved up to three changes in visual vertical direction. Each subject was assigned to one of three groups that maintained different postures: visually upright relative to the "local" module; constant orientation relative to the "station" irrespective of local visual vertical; and "mixed" (local, followed by station orientation). Groups were balanced on the basis of mental rotation and perspective-taking test scores. Subjects then performed 24 emergency egress testing trials without the tour guide. Smoke reduced visibility during the last 12 trials. Egress time, sense of direction (by pointing to origin and destination) and configuration knowledge were measured. Both individual 3D spatial abilities and orientation during training influence emergency egress performance, pointing, and configuration knowledge. Local training facilitates landmark and route learning, but station training enhances sense of direction relative to station, and, therefore, performance in low visibility. We recommend a sequence of local, followed by station, and then randomized orientation training, preferably customized to a trainee's 3D spatial ability.

Angular-dependent EDMR linewidth for spin-dependent space charge limited conduction in a polycrystalline pentacene

NASA Astrophysics Data System (ADS)

Fukuda, Kunito; Asakawa, Naoki

2017-08-01

Spin-dependent space charge limited carrier conduction in a Schottky barrier diode using polycrystalline p-type π-conjugated molecular pentacene is explored using multiple-frequency electrically detected magnetic resonance (EDMR) spectroscopy with a variable-angle configuration. The measured EDMR spectra are decomposed into two components derived respectively from mobile and trapped positive polarons. The linewidth of the EDMR signal for the trapped polarons increases with increasing resonance magnetic field for an in-plane configuration where the normal vector of the device substrate is perpendicular to the resonance magnetic field, while it is independent of the field for an out-of-plane configuration. This difference is consistent with the pentacene arrangement on the device substrate, where pentacene molecules exhibit a uniaxial orientation on the out-of-substrate plane. By contrast, the mobile polarons do not show anisotropic behavior with respect to the resonance magnetic field, indicating that the anisotropic effect is averaged out owing to carrier motion. These results suggest that the orientational arrangements of polycrystalline pentacene molecules in a nano thin film play a crucial role in spin-dependent electrical conduction.

Containment of groundwater contamination plumes: minimizing drawdown by aligning capture wells parallel to regional flow

NASA Astrophysics Data System (ADS)

Christ, John A.; Goltz, Mark N.

2004-01-01

Pump-and-treat systems that are installed to contain contaminated groundwater migration typically involve placement of extraction wells perpendicular to the regional groundwater flow direction at the down gradient edge of a contaminant plume. These wells capture contaminated water for above ground treatment and disposal, thereby preventing further migration of contaminated water down gradient. In this work, examining two-, three-, and four-well systems, we compare well configurations that are parallel and perpendicular to the regional groundwater flow direction. We show that orienting extraction wells co-linearly, parallel to regional flow, results in (1) a larger area of aquifer influenced by the wells at a given total well flow rate, (2) a center and ultimate capture zone width equal to the perpendicular configuration, and (3) more flexibility with regard to minimizing drawdown. Although not suited for some scenarios, we found orienting extraction wells parallel to regional flow along a plume centerline, when compared to a perpendicular configuration, reduces drawdown by up to 7% and minimizes the fraction of uncontaminated water captured.

General purpose computer program for interacting supersonic configurations: Programmer's manual

NASA Technical Reports Server (NTRS)

Crill, W.; Dale, B.

1977-01-01

The program ISCON (Interacting Supersonic Configuration) is described. The program is in support of the problem to generate a numerical procedure for determining the unsteady dynamic forces on interacting wings and tails in supersonic flow. Subroutines are presented along with the complete FORTRAN source listing.

Performance and Stability Analyses of Rocket Combustion Devices Using Liquid Oxygen/Liquid Methane Propellants

NASA Technical Reports Server (NTRS)

Hulka, James R.; Jones, G. W.

2010-01-01

Liquid rocket engines using oxygen and methane propellants are being considered by the National Aeronautics and Space Administration (NASA) for in-space vehicles. This propellant combination has not been previously used in flight-qualified engine systems, so limited test data and analysis results are available at this stage of early development. NASA has funded several hardware-oriented programs with oxygen and methane propellants over the past several years with the Propulsion and Cryogenic Advanced Development (PCAD) project, under the Exploration Technology Development Program. As part of this effort, NASA Marshall Space Flight Center has conducted combustion, performance, and combustion stability analyses of several of the configurations on these programs. This paper summarizes these analyses. Test and analysis results of impinging and coaxial element injectors using liquid oxygen and liquid methane propellants are included. Several cases with gaseous methane are included for reference. Several different thrust chamber configurations have been modeled, including thrust chambers with multi-element like-on-like and swirl coax element injectors tested at NASA MSFC, and a unielement chamber with shear and swirl coax injectors tested at The Pennsylvania State University. Configurations were modeled with two one-dimensional liquid rocket combustion analysis codes, the Rocket Combustor Interaction Design and Analysis (ROCCID), and the Coaxial Injector Combustion Model (CICM). Significant effort was applied to show how these codes can be used to model combustion and performance with oxygen/methane propellants a priori, and what anchoring or calibrating features need to be applied or developed in the future. This paper describes the test hardware configurations, presents the results of all the analyses, and compares the results from the two analytical methods.

Combustion and Performance Analyses of Coaxial Element Injectors with Liquid Oxygen/Liquid Methane Propellants

NASA Technical Reports Server (NTRS)

Hulka, J. R.; Jones, G. W.

2010-01-01

Liquid rocket engines using oxygen and methane propellants are being considered by the National Aeronautics and Space Administration (NASA) for in-space vehicles. This propellant combination has not been previously used in a flight-qualified engine system, so limited test data and analysis results are available at this stage of early development. NASA has funded several hardware-oriented activities with oxygen and methane propellants over the past several years with the Propulsion and Cryogenic Advanced Development (PCAD) project, under the Exploration Technology Development Program. As part of this effort, the NASA Marshall Space Flight Center has conducted combustion, performance, and combustion stability analyses of several of the configurations. This paper summarizes the analyses of combustion and performance as a follow-up to a paper published in the 2008 JANNAF/LPS meeting. Combustion stability analyses are presented in a separate paper. The current paper includes test and analysis results of coaxial element injectors using liquid oxygen and liquid methane or gaseous methane propellants. Several thrust chamber configurations have been modeled, including thrust chambers with multi-element swirl coax element injectors tested at the NASA MSFC, and a uni-element chamber with shear and swirl coax injectors tested at The Pennsylvania State University. Configurations were modeled with two one-dimensional liquid rocket combustion analysis codes, the Rocket Combustor Interaction Design and Analysis (ROCCID), and the Coaxial Injector Combustion Model (CICM). Significant effort was applied to show how these codes can be used to model combustion and performance with oxygen/methane propellants a priori, and what anchoring or calibrating features need to be applied or developed in the future. This paper describes the test hardware configurations, presents the results of all the analyses, and compares the results from the two analytical methods

Filtered Rayleigh scattering mixing measurements of merging and non-merging streamwise vortex interactions in supersonic flow

NASA Astrophysics Data System (ADS)

Ground, Cody R.; Gopal, Vijay; Maddalena, Luca

2018-04-01

By introducing large-scale streamwise vortices into a supersonic flow it is possible to enhance the rate of mixing between two fluid streams. However, increased vorticity content alone does not explicitly serve as a predictor of mixing enhancement. Additional factors, particularly the mutual interactions occurring between neighboring vortical structures, affect the underlying fundamental physics that influence the rate at which the fluids mix. As part of a larger systematic study on supersonic streamwise vortex interactions, this work experimentally quantifies the average rate of mixing of helium and air in the presence of two separate modes of vortex interaction, the merging and non-merging of a pair of co-rotating vortices. In these experiments vortex-generating expansion ramps are placed on a strut injector. The freestream Mach number is set at 2.5 and helium is injected as a passive scalar. Average injectant mole fractions at selected flow planes downstream of the injector are measured utilizing the filtered Rayleigh scattering technique. The filtered Rayleigh scattering measurements reveal that, in the domain surveyed, the merging vortex interaction strongly displaces the plume from its initial horizontal orientation while the non-merging vortex interaction more rapidly mixes the helium and air. The results of the current experiments are consistent with associated knowledge derived from previous analyses of the two studied configurations which have included the detailed experimental characterization of entrainment, turbulent kinetic energy, and vorticity of both modes of vortex interaction.

Optimal locations and orientations of piezoelectric transducers on cylindrical shell based on gramians of contributed and undesired Rayleigh-Ritz modes using genetic algorithm

NASA Astrophysics Data System (ADS)

Biglar, Mojtaba; Mirdamadi, Hamid Reza; Danesh, Mohammad

2014-02-01

In this study, the active vibration control and configurational optimization of a cylindrical shell are analyzed by using piezoelectric transducers. The piezoelectric patches are attached to the surface of the cylindrical shell. The Rayleigh-Ritz method is used for deriving dynamic modeling of cylindrical shell and piezoelectric sensors and actuators based on the Donnel-Mushtari shell theory. The major goal of this study is to find the optimal locations and orientations of piezoelectric sensors and actuators on the cylindrical shell. The optimization procedure is designed based on desired controllability and observability of each contributed and undesired mode. Further, in order to limit spillover effects, the residual modes are taken into consideration. The optimization variables are the positions and orientations of piezoelectric patches. Genetic algorithm is utilized to evaluate the optimal configurations. In this article, for improving the maximum power and capacity of actuators for amplitude depreciation of negative velocity feedback strategy, we have proposed a new control strategy, called "Saturated Negative Velocity Feedback Rule (SNVF)". The numerical results show that the optimization procedure is effective for vibration reduction, and specifically, by locating actuators and sensors in their optimal locations and orientations, the vibrations of cylindrical shell are suppressed more quickly.

Revealing the preferred interlayer orientations and stackings of two-dimensional bilayer gallium selenide crystals

DOE PAGES

Li, Xufan; Basile Carrasco, Leonardo A.; Yoon, Mina; ...

2015-01-21

Characterizing and controlling the interlayer orientations and stacking order of bilayer two-dimensional (2D) crystals and van der Waals (vdW) heterostructure is crucial to optimize their electrical and optoelectronic properties. The four polymorphs of layered gallium selenide (GaSe) that result from different layer stacking provide an ideal platform to study the stacking configurations in bilayer 2D crystals. Here, through a controllable vapor-phase deposition method we selectively grow bilayer GaSe crystals and investigate their two preferred 0° or 60° interlayer rotations. The commensurate stacking configurations (AA' and AB-stacking) in as-grown 2D bilayer GaSe crystals are clearly observed at the atomic scale andmore » the Ga-terminated edge structure are identified for the first time by using atomic-resolution scanning transmission electron microscopy (STEM). Theoretical analysis of the interlayer coupling energetics vs. interlayer rotation angle reveals that the experimentally-observed orientations are energetically preferred among the bilayer GaSe crystal polytypes. Here, the combined experimental and theoretical characterization of the GaSe bilayers afforded by these growth studies provide a pathway to reveal the atomistic relationships in interlayer orientations responsible for the electronic and optical properties of bilayer 2D crystals and vdW heterostructures.« less

Detection of preferential particle orientation in the atmosphere. Development of an alternative polarization lidar system

DOE PAGES

Geier, Manfred; Arienti, Marco

2014-07-19

Increasing interest in polarimetric characterization of atmospheric aerosols has led to the development of complete sample-measuring (Mueller) polarimeters that are capable of measuring the entire backscattering phase matrix of a probed volume. The Mueller polarimeters consist of several moving parts, which limit measurement rates and complicate data analysis. In this paper, we present the concept of a less complex polarization lidar setup for detection of preferential orientation of atmospheric particulates. On the basis of theoretical considerations of data inversion stability and propagation of measurement uncertainties, an optimum optical configuration is established for two modes of operation (with either a linearmore » or a circular polarized incident laser beam). We discovered that the conceptualized setup falls in the category of incomplete sample-measuring polarimeters and uses four detection channels for simultaneous measurement of the backscattered light. Likewise, the expected performance characteristics are discussed through an example of a typical aerosol with a small fraction of particles oriented in a preferred direction. As a result, the theoretical analysis suggests that achievable accuracies in backscatter cross-sections and depolarization ratios are similar to those with conventional two-channel configurations, while in addition preferential orientation can be detected with the proposed four-channel system for a wide range of conditions.« less

Continuum Damage Mechanics Models for the Analysis of Progressive Failure in Open-Hole Tension Laminates

NASA Technical Reports Server (NTRS)

Song, Kyonchan; Li, Yingyong; Rose, Cheryl A.

2011-01-01

The performance of a state-of-the-art continuum damage mechanics model for interlaminar damage, coupled with a cohesive zone model for delamination is examined for failure prediction of quasi-isotropic open-hole tension laminates. Limitations of continuum representations of intra-ply damage and the effect of mesh orientation on the analysis predictions are discussed. It is shown that accurate prediction of matrix crack paths and stress redistribution after cracking requires a mesh aligned with the fiber orientation. Based on these results, an aligned mesh is proposed for analysis of the open-hole tension specimens consisting of different meshes within the individual plies, such that the element edges are aligned with the ply fiber direction. The modeling approach is assessed by comparison of analysis predictions to experimental data for specimen configurations in which failure is dominated by complex interactions between matrix cracks and delaminations. It is shown that the different failure mechanisms observed in the tests are well predicted. In addition, the modeling approach is demonstrated to predict proper trends in the effect of scaling on strength and failure mechanisms of quasi-isotropic open-hole tension laminates.

An Investigation of the Effects of Interactive Whiteboards as Perceived by Ohio High School Foreign Language Teachers

ERIC Educational Resources Information Center

Langan-Perez, Julie

2013-01-01

Grounding education in technology with a global orientation is relevant to educating students in the United States today. A technology-oriented education with a global orientation can prepare students to be in a position to use technology and interact with others on a global scale. One example of a technology tool is Interactive Whiteboards…

Temporal patterns of variable relationships in person-oriented research: longitudinal models of configural frequency analysis.

PubMed

von Eye, Alexander; Mun, Eun Young; Bogat, G Anne

2008-03-01

This article reviews the premises of configural frequency analysis (CFA), including methods of choosing significance tests and base models, as well as protecting alpha, and discusses why CFA is a useful approach when conducting longitudinal person-oriented research. CFA operates at the manifest variable level. Longitudinal CFA seeks to identify those temporal patterns that stand out as more frequent (CFA types) or less frequent (CFA antitypes) than expected with reference to a base model. A base model that has been used frequently in CFA applications, prediction CFA, and a new base model, auto-association CFA, are discussed for analysis of cross-classifications of longitudinal data. The former base model takes the associations among predictors and among criteria into account. The latter takes the auto-associations among repeatedly observed variables into account. Application examples of each are given using data from a longitudinal study of domestic violence. It is demonstrated that CFA results are not redundant with results from log-linear modeling or multinomial regression and that, of these approaches, CFA shows particular utility when conducting person-oriented research.

Linking educational leadership styles to the HR architecture for new teachers in primary education.

PubMed

Vekeman, Eva; Devos, Geert; Valcke, Martin

2016-01-01

This study aims to gain insight in the relationship between principals' leadership styles and the configuration of different HR practices for new teachers in primary education. Besides the longstanding interest in educational leadership as a key element in teacher and student performance, there is a growing interest in strategic human resource management (SHRM) in the educational sector. However, few educational studies link educational leadership to SHRM. In particular, this study examines the relationship between principals' instructional and transformational leadership style and principals' strategic and HR orientation in configuring HR practices for new teachers. Data were gathered using a mixed methods approach, including interviews with 75 principals as well as an online survey of 1058 teachers in Flemish primary education. Qualitative interview data were transformed and analysed together with the quantitative survey data using logistic regression and ANOVA analyses. The results indicate that both instructional and transformational leadership is associated with the strategic orientation of principals. The HR orientation, on the other hand, is not reflected in the principals' leadership style. Recommendations for further research in this area are discussed.

Orientation of X Lines in Asymmetric Magnetic Reconnection-Mass Ratio Dependency

NASA Technical Reports Server (NTRS)

Liu, Yi-Hsin; Hesse, M.; Kuznetsova, M.

2015-01-01

Using fully kinetic simulations, we study the X line orientation of magnetic reconnection in an asymmetric configuration. A spatially localized perturbation is employed to induce a single X line, which has sufficient freedom to choose its orientation in three-dimensional systems. The effect of ion to electron mass ratio is investigated, and the X line appears to bisect the magnetic shear angle across the current sheet in the large mass ratio limit. The orientation can generally be deduced by scanning through the corresponding 2-D simulations to find the reconnection plane that maximizes the peak reconnection electric field. The deviation from the bisection angle in the lower mass ratio limit is consistent with the orientation shift of the most unstable linear tearing mode in an electron-scale current sheet.

Magnetic domain configuration of (111)-oriented LaFeO 3 epitaxial thin films

DOE PAGES

Hallsteinsen, I.; Moreau, M.; Chopdekar, R. V.; ...

2017-08-22

In antiferromagnetic spintronics control of the domains and corresponding spin axis orientation is crucial for devices. Here we investigate the antiferromagnetic axis in (111)-oriented LaFeO 3 SrTiO 3 , which is coupled to structural twin domains. The structural domains have either the orthorhombic a- or b-axis along the in-plane <1more » $$\\bar{1}$$0> cubic directions of the substrate, and the corresponding magnetic domains have the antiferromagnetic axis in the sample plane. Six degenerate antiferromagnetic axes are found corresponding to the <1$$\\bar{1}$$0> and <11$$\\bar{2}$$> in-plane directions. This is in contrast to the biaxial anisotropy in (001)-oriented films and reflects how crystal orientation can be used to control magnetic anisotropy in antiferromagnets.« less

Superflywheel energy storage system. [for windpowered machines

NASA Technical Reports Server (NTRS)

Rabenhorst, D. W.

1973-01-01

A windpowered system using the superflywheel configuration for energy storage is considered. Basic elements of superflywheels are thin rods assembled in pregrooved hub lamina so that they fan out in radial orientation. Adjacent layers of hub lamina are assembled 90 degree in rotation to each other so as to form a circular brush configuration. Thus stress concentrations and rod failure are minimized and realistic failure containment for a high performance flywheel is obtained.

The impact of conflicting spatial representations in airborne unmanned aerial system sensor control

DTIC Science & Technology

2016-02-01

Their methodology, however, was limited – participants were only seated in a forward configured seat in a civilian aircraft and only rudimentary...a starboard seat , facing towards the center of the aircraft , great discord between these spatial representations and their relevant sensory inputs...configuration provided space for three participants to be run at a time in three different seating orientations: forward, backward, and center of the aircraft

6th Annual CMMI Technology Conference and User Group

DTIC Science & Technology

2006-11-17

Operationally Oriented; Customer Focused Proven Approach – Level of Detail Beginner Decision Table (DT) is a tabular representation with tailoring options to...written to reflect the experience of the author Software Engineering led the process charge in the ’80s – Used Flowcharts – CASE tools – “data...Postpo ned PCR. Verification Steps • EPG configuration audits • EPG configuration status reports Flowcharts and Entry, Task, Verification and eXit

Robust Vision-Based Pose Estimation Algorithm for AN Uav with Known Gravity Vector

NASA Astrophysics Data System (ADS)

Kniaz, V. V.

2016-06-01

Accurate estimation of camera external orientation with respect to a known object is one of the central problems in photogrammetry and computer vision. In recent years this problem is gaining an increasing attention in the field of UAV autonomous flight. Such application requires a real-time performance and robustness of the external orientation estimation algorithm. The accuracy of the solution is strongly dependent on the number of reference points visible on the given image. The problem only has an analytical solution if 3 or more reference points are visible. However, in limited visibility conditions it is often needed to perform external orientation with only 2 visible reference points. In such case the solution could be found if the gravity vector direction in the camera coordinate system is known. A number of algorithms for external orientation estimation for the case of 2 known reference points and a gravity vector were developed to date. Most of these algorithms provide analytical solution in the form of polynomial equation that is subject to large errors in the case of complex reference points configurations. This paper is focused on the development of a new computationally effective and robust algorithm for external orientation based on positions of 2 known reference points and a gravity vector. The algorithm implementation for guidance of a Parrot AR.Drone 2.0 micro-UAV is discussed. The experimental evaluation of the algorithm proved its computational efficiency and robustness against errors in reference points positions and complex configurations.

The influence of crustal magnetic sources on the topology of the Martian magnetic environment

NASA Astrophysics Data System (ADS)

Brain, David Andrew

2002-09-01

In this thesis I use magnetometer data and magnetic field models to explore the morphology of magnetic fields close to Mars, with emphasis on the manner and extent to which crustal magnetic sources affect the magnetic field configuration. I analyze Mars Global Surveyor (MGS) Magnetometer (MAG) data to determine the relative importance of the solar wind and of crustal magnetic sources in the observations. Crustal sources locally modify the solar wind interaction, adding variability to the Martian magnetic environment that depends on planetary rotation. I identify trends in the vector magnetic field with respect to altitude, solar zenith angle, and geographic location. The influence of the strongest crustal source extends to 1300 1400 km. I then use MAG data to evaluate models for the magnetic field associated with Mars' crust and for the solar wind interaction with the Martian ionosphere. A linear superposition of a spherical harmonic crustal model and a gasdynamic solar wind model improves the fit to MAG data over that from either model individually. I use simple pressure balance to calculate the shape and size of the Martian solar wind obstacle under a variety of different conditions. The obstacle is irregularly shaped (“lumpy”) and varies over the course of a Martian rotation, over a Martian year, and with changes in the upstream pressure. The obstacle above strong crustal sources can exceed 1000 km and is always higher than the altitude of the MGS spacecraft in its mapping orbit. I use a superposition model to explore the magnetic field topology at Mars under a variety of conditions. The model field topology is sensitive to changes in the interplanetary magnetic field (IMF) strength and orientation, as well as to Mars' orientation with respect to the solar wind flow. Regions of open magnetic field are located above strong crustal sources in the models, where the magnetic field is radially oriented with respect to the Martian surface. An examination of MAG and electron reflectometer (ER) data above one of these regions reveals a sharp change in the electron energy spectrum coinciding with perturbations in the orientation of the magnetic field.

Testing Cross-Cultural Generalizability of the Task and Ego Orientation in Sport Questionnaire across American and Chinese Samples

PubMed Central

Monsma, Eva

2016-01-01

This paper examines the factor structure and measurement invariance of the Task and Ego Orientation in Sport Questionnaire (TEOSQ) across American and Chinese samples. Results based on the mean and covariance structure analyses supported configural invariance, metric invariance and scalar invariance across groups. Latent means analyses revealed that American sample had significantly higher mean scores on task and ego orientations than the Chinese sample. The findings suggest that the TEOSQ is a valid and reliable instrument in assessing achievement motivation across these two diverse populations. PMID:27399869

Incorporating Social Oriented Agent and Interactive Simulation in E-learning: Impact on Learning, Perceptions, Experiences to Non-Native English Students

ERIC Educational Resources Information Center

Ballera, Melvin; Elssaedi, Mosbah Mohamed

2012-01-01

There is an unrealized potential in the use of socially-oriented pedagogical agent and interactive simulation in e-learning system. In this paper, we investigate the impact of having a socially oriented tutor agent and the incorporation of interactive simulation in e-learning into student performances, perceptions and experiences for non-native…

Differential effects of visual context on pattern discrimination by pigeons (Columba livia) and humans (Homo sapiens).

PubMed

Kelly, Debbie M; Cook, Robert G

2003-06-01

Three experiment examined the role of contextual information during line orientation and line position discriminations by pigeons (Columba livia) and humans (Homo sapiens). Experiment 1 tested pigeons' performance with these stimuli in a target localization task using texture displays. Experiments 2 and 3 tested pigeons and humans, respectively, with small and large variations of these stimuli in a same-different task. Humans showed a configural superiority effect when tested with displays constructed from large elements but not when tested with the smaller, more densely packed texture displays. The pigeons, in contrast, exhibited a configural inferiority effect when required to discriminate line orientation, regardless of stimulus size. These contrasting results suggest a species difference in the perceptionand use of features and contextual information in the discrimination of line information.

Projective invariant biplanar registration of a compact modular orthopaedic robot.

PubMed

Luan, Sheng; Sun, Lei; Hu, Lei; Hao, Aimin; Li, Changsheng; Tang, Peifu; Zhang, Lihai; Du, Hailong

2014-01-01

This paper presents a compact orthopedic robot designed with modular concept. The layout of the modular configuration is adaptive to various conditions such as surgical workspace and targeting path. A biplanar algorithm is adopted for the mapping from the fluoroscopic image to the robot, while the former affine based method is satisfactory only when the projection rays are basically perpendicular to the reference coordinate planes. This paper introduces the area cross-ratio as a projective invariant to improve the registration accuracy for non-orthogonal orientations, so that the robotic system could be applied to more orthopedic procedures under various C-Arm orientation conditions. The system configurations for femoral neck screw and sacroiliac screw fixation are presented. The accuracy of the robotic system and its efficacy for the two typical applications are validated by experiments.

Geometry and Mechanics of Chiral Pod Opening

NASA Astrophysics Data System (ADS)

Sharon, Eran; Armon, Shahaf; Efrati, Efi; Kupferman, Raz

2012-02-01

We study the geometry and mechanics that drive the opening of Bauhinia seeds pods. The pod valve wall consists of two fibrous layers oriented at ± 45^o with respect to the pod axis. Upon drying, each of the layers shrinks uniaxially, perpendicularly to the fibers orientation. This active deformation turn the valve into an incompatible sheet with reference saddle-like curvature tensor and a flat (Euclidean) reference metric. These two intrinsic properties are incompatible. The shape is, therefore, selected by a stretching-bending competition. Strips cut from the valve tissue and from synthetic model material adopt various helical configurations. We provide analytical expressions for these configurations in the bending and stretching dominated regimes. Surface measurements show the transition from minimal surfaces (narrow limit) to cylindrical ones (wide limit). Finally, we show how plants use these mechanical principles using different tissue architectures.

Density functional study of hypophosphite adsorption on Ni (1 1 1) and Cu (1 1 1) surfaces

NASA Astrophysics Data System (ADS)

Zeng, Yue; Liu, Shubin; Ou, Lihui; Yi, Jianlong; Yu, Shanci; Wang, Huixian; Xiao, Xiaoming

2006-02-01

Surface structures and electronic properties of hypophosphite, H 2PO 2-, molecularly adsorbed on Ni(1 1 1) and Cu(1 1 1) surfaces are investigated in this work by density functional theory at B3LYP/6-31++g(d, p) level. We employ a four-metal-atom cluster as the simplified model for the surface and have fully optimized the geometry and orientation of H 2PO 2- on the metal cluster. Six stable orientations have been discovered on both Ni (1 1 1) and Cu (1 1 1) surfaces. The most stable orientation of H 2PO 2- was found to have its two oxygen atoms interact the surface with two P sbnd O bonds pointing downward. Results of the Mulliken population analysis showed that the back donation from 3d orbitals of the transition metal substrate to the unfilled 3d orbital of the phosphorus atom in H 2PO 2- and 4s orbital's acceptance of electron donation from one lone pair of the oxygen atom in H 2PO 2- play very important roles in the H 2PO 2- adsorption on the transition metals. The averaged electron configuration of Ni in Ni 4 cluster is 4s 0.634p 0.023d 9.35 and that of Cu in Cu 4 cluster is 4s 1.004p 0.033d 9.97. Because of this subtle difference of electron configuration, the adsorption energy is larger on the Ni surface than on the Cu surface. The amount of charge transfers due to above two donations is larger from H 2PO 2- to the Ni surface than to the Cu surface, leading to a more positively charged P atom in Ni nH 2PO 2- than in Cu nH 2PO 2-. These results indicate that the phosphorus atom in Ni nH 2PO 2- complex is easier to be attacked by a nucleophile such as OH - and subsequent oxidation of H 2PO 2- can take place more favorably on Ni substrate than on Cu substrate.

Hanle model of a spin-orbit coupled Bose-Einstein condensate of excitons in semiconductor quantum wells

NASA Astrophysics Data System (ADS)

Andreev, S. V.; Nalitov, A. V.

2018-04-01

We present a theoretical model of a driven-dissipative spin-orbit coupled Bose-Einstein condensate of indirect excitons in semiconductor quantum wells (QW's). Our steady-state solution of the problem shares analogies with the Hanle effect in an optical orientation experiment. The role of the spin pump in our case is played by Bose-stimulated scattering into a linearly-polarized ground state and the depolarization occurs as a result of exchange interaction between electrons and holes. Our theory agrees with the recent experiment [A. A. High et al., Phys. Rev. Lett. 110, 246403 (2013), 10.1103/PhysRevLett.110.246403], where spontaneous emergence of spatial coherence and polarization textures have been observed. As a complementary test, we discuss a configuration where an external magnetic field is applied in the structure plane.

Cooperativity in plastic crystals

NASA Astrophysics Data System (ADS)

Pieruccini, Marco; Tombari, Elpidio

2018-03-01

A statistical mechanical model previously adopted for the analysis of the α -relaxation in structural glass formers is rederived within a general theoretical framework originally developed for systems approaching the ideal glassy state. The interplay between nonexponentiality and cooperativity is reconsidered in the light of energy landscape concepts. The method is used to estimate the cooperativity in orientationally disordered crystals, either from the analysis of literature data on linear dielectric response or from the enthalpy relaxation function obtained by temperature-modulated calorimetry. Knowledge of the specific heat step due to the freezing of the configurational or conformational modes at the glass transition is needed in order to properly account for the extent to which the relaxing system deviates from equilibrium during the rearrangement processes. A number of plastic crystals have been analyzed, and relatively higher cooperativities are found in the presence of hydrogen bonding interaction.

Baseline scheme for polarization preservation and control in the MEIC ion complex

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

Derbenev, Yaroslav S.; Lin, Fanglei; Morozov, Vasiliy

2015-09-01

The scheme for preservation and control of the ion polarization in the Medium-energy Electron-Ion Collider (MEIC) has been under active development in recent years. The figure-8 configuration of the ion rings provides a unique capability to control the polarization of any ion species including deuterons by means of "weak" solenoids rotating the particle spins by small angles. Insertion of "weak" solenoids into the magnetic lattices of the booster and collider rings solves the problem of polarization preservation during acceleration of the ion beam. Universal 3D spin rotators designed on the basis of "weak" solenoids allow one to obtain any polarizationmore » orientation at an interaction point of MEIC. This paper presents the baseline scheme for polarization preservation and control in the MEIC ion complex.« less

The Medical Gopher — A Microcomputer Based Physician Work Station

PubMed Central

McDonald, Clement J.

1984-01-01

We've developed a microcomputer medical work station intended to reduce the physician's “gopher” work of fetching, reviewing, organizing and writing that consumes his day. The system requires extensive physician interaction; so we have developed a fast and consistent menu-oriented user interface. It provides facilities for entering prescriptions, orders, problems and other medical record information and for generating flowsheets, executing reminder rules, providing ad hoc retrievals and reporting facts about drugs, tests and differential diagnoses. Each work station is connected to a central server (currently a VAX 117/80) in a network configuration, but carries all of its own programs, tables and medical records for a few hundred patients, locally. This system is tested but not yet tried. Questions remain about physician's acceptance and the true usefullness of such a work station.

Experimental study of grain interactions on rolling texture development in face-centered cubic metals

NASA Astrophysics Data System (ADS)

Kumar Ray, Atish

There exists considerable debate in the texture community about whether grain interactions are a necessary factor to explain the development of deformation textures in polycrystalline metals. Computer simulations indicate that grain interactions play a significant role, while experimental evidence shows that the material type and starting orientation are more important in the development of texture and microstructure. A balanced review of the literature on face-centered cubic metals shows that the opposing viewpoints have developed due to the lack of any complete experimental study which considers both the intrinsic (material type and starting orientation) and extrinsic (grain interaction) factors. In this study, a novel method was developed to assemble ideally orientated crystalline aggregates in 99.99% aluminum (Al) or copper (Cu) to experimentally evaluate the effect of grain interactions on room temperature deformation texture. Ideal orientations relevant to face-centered cubic rolling textures, Cube {100} <001>, Goss {110} <001>, Brass {110} <11¯2> and Copper {112} <111¯> were paired in different combinations and deformed by plane strain compression to moderate strain levels of 1.0 to 1.5. Orientation dependent mechanical behavior was distinguishable from that of the neighbor-influenced behavior. In interacting crystals the constraint on the rolling direction shear strains (gammaXY , gammaXZ) was found to be most critical to show the effect of interactions via the evolution of local microstructure and microtexture. Interacting crystals with increasing deformations were observed to gradually rotate towards the S-component, {123} <634>. Apart from the average lattice reorientations, the interacting crystals also developed strong long-range orientation gradients inside the bulk of the crystal, which were identified as accumulating misorientations across the deformation boundaries. Based on a statistical procedure using quaternions, the orientation and interaction related heterogeneous deformations were characterized by three principal component vectors and their respective eigenvalues for both the orientation and misorientation distributions. For the case of a medium stacking fault energy metal like Cu, the texture and microstructure development depends wholly on the starting orientations. Microstructural instabilities in Cu are explained through a local slip clustering process, and the possible role of grain interactions on such instabilities is proposed. In contrast, the texture and microstructure development in a high stacking fault energy metal like Al is found to be dependent on the grain interactions. In general, orientation, grain interaction and material type were found to be key factors in the development of rolling textures in face-centered cubic metals and alloys. Moreso, in the texture development not any single parameter can be held responsible, rather, the interdependency of each of the three parameters must be considered. In this frame-work polycrystalline grains can be classified into four types according to their stability and susceptibility during deformation.

Supramolecular interactions of oxidative stress biomarker glutathione with fluorone black.

PubMed

Hepel, Maria; Stobiecka, Magdalena

2018-03-05

Oxidative stress biomarkers, including glutathione (GSH) and related compounds, are involved in a variety of interactions enabling redox potential maintenance in living cells and protection against radicals. Since the oxidative stress is promoting and, in many cases, inducing serious illnesses, monitoring of GSH levels can aid in diagnostics and disease prevention. Herein, we report on the discovery of the formation of a supramolecular ensemble of GSH with fluorone black (9-phenyl fluorone, FB) which is optically active and enables sensitive determination of GSH by resonance elastic light scattering (RELS). We have found that supramolecular interactions of GSH with FB can be probed with spectroscopic, RELS, and electrochemical methods. Our investigations show that RELS intensity for FB solutions increases with GSH concentration while fluorescence emission of FB is not affected, as quenching begins only above 0.8mM GSH. The UV-Vis difference spectra show a positive peak at 383nm and a negative peak at 458nm, indicating a higher-energy absorbing complex in comparison to the non-bonded FB host. Supramolecular interactions of FB with GSH have also been corroborated by electrochemical measurements involving two configurations of FB-GSH ensembles on electrodes: (i) an inverted orientation on Au-coated quartz crystal piezoelectrode (Au@SG-FB), with strong thiolate bonding to gold, and (ii) a non-inverted orientation on glassy carbon electrode (GCE@FB-GS), with weak π-π stacking attachment and efficient charge mediation through the ensemble. The formation of a supramolecular ensemble with hydrogen bonding has also been confirmed by quantum mechanical calculations. The discovery of supramolecular FB-GSH ensemble formation enables elucidating the mechanisms of strong RELS responses, changes in UV-Vis absorption spectra, and the electrochemical reactivity. Also, it provides new insights to the understanding of the efficient charge-transfer in redox potential homeostasis which is likely based on an intermediate formation of a similar type of supramolecular ensembles. Copyright © 2017 Elsevier B.V. All rights reserved.

Supramolecular interactions of oxidative stress biomarker glutathione with fluorone black

NASA Astrophysics Data System (ADS)

Hepel, Maria; Stobiecka, Magdalena

2018-03-01

Oxidative stress biomarkers, including glutathione (GSH) and related compounds, are involved in a variety of interactions enabling redox potential maintenance in living cells and protection against radicals. Since the oxidative stress is promoting and, in many cases, inducing serious illnesses, monitoring of GSH levels can aid in diagnostics and disease prevention. Herein, we report on the discovery of the formation of a supramolecular ensemble of GSH with fluorone black (9-phenyl fluorone, FB) which is optically active and enables sensitive determination of GSH by resonance elastic light scattering (RELS). We have found that supramolecular interactions of GSH with FB can be probed with spectroscopic, RELS, and electrochemical methods. Our investigations show that RELS intensity for FB solutions increases with GSH concentration while fluorescence emission of FB is not affected, as quenching begins only above 0.8 mM GSH. The UV-Vis difference spectra show a positive peak at 383 nm and a negative peak at 458 nm, indicating a higher-energy absorbing complex in comparison to the non-bonded FB host. Supramolecular interactions of FB with GSH have also been corroborated by electrochemical measurements involving two configurations of FB-GSH ensembles on electrodes: (i) an inverted orientation on Au-coated quartz crystal piezoelectrode (Au@SG-FB), with strong thiolate bonding to gold, and (ii) a non-inverted orientation on glassy carbon electrode (GCE@FB-GS), with weak π-π stacking attachment and efficient charge mediation through the ensemble. The formation of a supramolecular ensemble with hydrogen bonding has also been confirmed by quantum mechanical calculations. The discovery of supramolecular FB-GSH ensemble formation enables elucidating the mechanisms of strong RELS responses, changes in UV-Vis absorption spectra, and the electrochemical reactivity. Also, it provides new insights to the understanding of the efficient charge-transfer in redox potential homeostasis which is likely based on an intermediate formation of a similar type of supramolecular ensembles.

Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.

NASA Technical Reports Server (NTRS)

Green, S.

1972-01-01

Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.

Final Report: DOE Award Number: DE-SC0006398, University of CA, San Diego

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

Cha, Jennifer

The focus of the proposed research is to direct the assembly of single or binary nanoparticles into meso- or macroscale three-dimensional crystals of any desired configuration and crystallographic orientation without using prohibitively expensive lithographic processes. The epitaxial nucleation of defect-free, surface-bound bulk single crystals will revolutionize technologies for energy to generate new types of solar cells that yield maximum conversion efficiencies. It has been proposed that having a nanostructured bulk hetero-interface will enable efficient charge-carrier separations, similar to organic based heterojunction cells but with potential improvements, including thermal and long-term stability, tunability of energy levels, large adsorption coefficients and carriermore » multiplication. However, engineering such devices requires nanoscale control and ordering in both 2- and 3-dimensions over macroscopic areas and this has yet to be achieved. In Nature, bulk organic and inorganic materials are arranged into precise and ordered programmed assemblies through the sequestration of raw materials into confined spaces and association through highly specific non-covalent interactions between biomolecules. Using similar strategies, the proposed research will focus on confining metal and semiconductor nanocrystals to pre-determined surface patterns and controlling their arrangement through tunable, orthogonal biomolecular binding. Once a perfect two-dimensional seed layer has been constructed, successive layers of single nanocrystals will be nucleated epitaxially with long-range order and tunable crystallographic orientations. The proposed research exploits the ability of biomolecules to bind specific targets in a tunable, orthogonal, multivalent, and reversible manner to the arrangements of DNA-nanoparticle conjugates on chemically defined surfaces. Through careful balance of the attractive and repulsive forces between the particles, the array, and the outside surface, it is envisioned that single or mixed nanoparticles can be packed to adopt uniform crystal orientation in two and three dimensions from simple mixing and annealing of biomolecule-nanoparticle conjugates with biomolecule-stamped surfaces. To control the crystallographic alignment of each particle with its neighbors, the nanoparticles will be assembled using a mixture of non-covalent biomolecular interactions. To create solar cells in which layers of donor and acceptor nanocrystals that are not only oriented normal to the top and bottom electrodes but are also arranged in a checkerboard pattern, multicomponent nanocrystals (e.g. CdSe, CdTe) will be conjugated with biochemical linkers such that only interactions between the CdTe and CdSe promote particle packing within the array. The proposed research will: (1) elucidate the role of single and binary cooperative particle-DNA interactions in influencing nanoparticle crystallographic orientation in two and three dimensions; (2) understand how confinement of nanoparticles on patterned arrays of biomolecules and modification of the surrounding substrate can nucleate long-range order over macroscopic areas via predefined grain boundaries; and (3) synthesize and characterize DNA conjugated semiconductor nanocrystals and assemble them into 2- and 3-D binary superlattice arrays for photovoltaics.« less

Numerical simulation of fiber interaction in short-fiber injection-molded composite using different cavity geometries

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

Thi, Thanh Binh Nguyen, E-mail: nttbinh@kit.ac.jp; Yokoyama, Atsushi, E-mail: yokoyama@kit.ac.jp; Hamanaka, Senji

The theoretical fiber-interaction model for calculating the fiber orientation in the injection molded short fiber/thermoplastic composite parts was proposed. The proposed model included the fiber dynamics simulation in order to obtain an equation of the global interaction coefficient and accurate estimate of the fiber interacts at all orientation states. The steps to derive the equation for this coefficient in short fiber suspension as a function of the fiber aspect ratio, volume fraction and general shear rate are delineated. Simultaneously, the high-resolution 3D X-ray computed tomography system XVA-160α was used to observe fiber distribution of short-glass-fiber-reinforced polyamide specimens using different cavitymore » geometries. The fiber orientation tensor components are then calculated. Experimental orientation measurements of short-glass-fiber-reinforced polyamide is used to check the ability of present theory for predicting orientation. The experiments and predictions show a quantitative agreement and confirm the basic understanding of fiber orientation in injection-molded composites.« less

Numerical simulation of fiber interaction in short-fiber injection-molded composite using different cavity geometries

NASA Astrophysics Data System (ADS)

Thi, Thanh Binh Nguyen; Yokoyama, Atsushi; Hamanaka, Senji; Yamashita, Katsuhisa; Nonomura, Chisato

2016-03-01

The theoretical fiber-interaction model for calculating the fiber orientation in the injection molded short fiber/thermoplastic composite parts was proposed. The proposed model included the fiber dynamics simulation in order to obtain an equation of the global interaction coefficient and accurate estimate of the fiber interacts at all orientation states. The steps to derive the equation for this coefficient in short fiber suspension as a function of the fiber aspect ratio, volume fraction and general shear rate are delineated. Simultaneously, the high-resolution 3D X-ray computed tomography system XVA-160α was used to observe fiber distribution of short-glass-fiber-reinforced polyamide specimens using different cavity geometries. The fiber orientation tensor components are then calculated. Experimental orientation measurements of short-glass-fiber-reinforced polyamide is used to check the ability of present theory for predicting orientation. The experiments and predictions show a quantitative agreement and confirm the basic understanding of fiber orientation in injection-molded composites.

Excitation energies of particle-hole states in {sup 208}Pb and the surface delta interaction

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

Heusler, A., E-mail: A.Heusler@mpi-hd.mpg.de; Jolos, R. V., E-mail: Jolos@theor.jinr.ru; Brentano, P. von, E-mail: Brentano@ikp.uni-koeln.de

2013-07-15

The schematic shell model without residual interaction (SSM) assumes the same excitation energy for all spins in each particle-hole configuration multiplet. In {sup 208}Pb, more than forty states are known to contain almost the full strength of a single particle-hole configuration. The experimental excitation energy for a state with a certain spin differs from the energy predicted by the SSM by -0.2 to +0.6 MeV. The multiplet splitting is calculated with the surface delta interaction; it corresponds to the diagonal matrix element of the residual interaction in the SSM. For states containing more than 90% strength of a certain configurationmore » and for the centroid of several completely observed configurations, the calculated multiplet splitting often approximates the experimental excitation energy within 30 keV. The strong mixing within some pairs of states containing the full strengths of two configurations is explained.« less

Models of S/π interactions in protein structures: Comparison of the H2S–benzene complex with PDB data

PubMed Central

Ringer, Ashley L.; Senenko, Anastasia; Sherrill, C. David

2007-01-01

S/π interactions are prevalent in biochemistry and play an important role in protein folding and stabilization. Geometries of cysteine/aromatic interactions found in crystal structures from the Brookhaven Protein Data Bank (PDB) are analyzed and compared with the equilibrium configurations predicted by high-level quantum mechanical results for the H2S–benzene complex. A correlation is observed between the energetically favorable configurations on the quantum mechanical potential energy surface of the H2S–benzene model and the cysteine/aromatic configurations most frequently found in crystal structures of the PDB. In contrast to some previous PDB analyses, configurations with the sulfur over the aromatic ring are found to be the most important. Our results suggest that accurate quantum computations on models of noncovalent interactions may be helpful in understanding the structures of proteins and other complex systems. PMID:17766371

Fluid Dynamics of Thrombosis in Transcatheter Aortic Valves

NASA Astrophysics Data System (ADS)

Seo, Jung Hee; Zhu, Chi; Dou, Zhongwang; Resar, Jon; Mittal, Rajat

2017-11-01

Transcatheter aortic valve replacement (TAVR) with bioprosthetic valves (BPV) has become highly prevalent in recent years. While one advantage of BPVs over mechanical ones is the lower incidence of valve thrombosis, recent clinical studies have suggested a higher than expected incidence of subclinical bioprosthetic valve thrombosis (BVT). Many factors that might affect the transvalvular hemodynamics including the valve position, orientation, stent, and interaction with the coronary flow, have been suggested, but the casual mechanisms of valve thrombosis are still unknown. In the present study, the hemodynamics associated with the formation of BVT is investigated using a novel, coupled flow-structure-biochemical computational modeling. A reduced degree of freedom, fluid-structure-interaction model is proposed for the efficient simulation of the hemodynamics and leaflet dynamics in the BPVs. Simple models to take into account the effects of the stent and coronary flows have also been developed. Simulations are performed for canonical models of BPVs in the aorta in various configurations and the results are examined to provide insights into the mechanisms for valve thrombosis. Supported by the NSF Grants IIS-1344772, CBET-1511200 and NSF XSEDE Grant TG-CTS100002.

Micromagnetics and second-order reversal-curves as a route to understanding FORC diagrams of nanoparticles

NASA Astrophysics Data System (ADS)

Winklhofer, M.

2007-05-01

First-order-reversal curve (FORC) diagrams have proven useful in characterizing fine magnetic particle systems in terms of microscopic switching field distributions, characteristic interaction strengths and mean-field effects. Despite the profusion of measured FORC data, we still lack a simple, generally valid recipe for the quantitative analysis of FORC diagrams, the reason being that most samples do not act like classical linear Preisach systems, giving rise to reversible magnetization changes that tend to blur contributions from irreversible switching events. A good example illustrating the confounding influence of reversible contributions are FORC diagrams for particle systems in which vortex configurations occur as remanent states. For non-interacting Fe nanodots with well-defined grain sizes around the zero-field SD/PSD transition and random easy-axis orientation, we will show how a combination of micromagnetic modelling and second-order- reversal-curves can be used to disentangle reversible and irreversible contributions to the FORC diagram. It will also be shown that remanence-based Preisach diagrams do not fully capture the irreversible parts.

Structure of 1-butylpyridinium tetrafluoroborate ionic liquid: quantum chemistry and molecular dynamic simulation studies.

PubMed

Sun, Hui; Qiao, Baofu; Zhang, Dongju; Liu, Chengbu

2010-03-25

Density functional theory (DFT) calculations combined with molecular dynamic (MD) simulations have been performed to show in detail the structure characteristic of 1-butylpyridinium tetrafluoroborate ([BPy(+)][BF(4)(-)]), a representative of pyridinium-based ionic liquids (ILs). It is found that the relative stability for ion pair configurations is synergically determined by the electrostatic attractions and the H-bond interactions between the ions of opposite charge. [BPy(+)][BF(4)(-)] IL possesses strong long-range ordered structure with cations and anions alternately arranging. The spatial distributions of anions and cations around the given cations are clearly shown, and T-shaped orientation is indicated to play a key role in the interaction between two pyridine rings. DFT calculations and MD simulations uniformly suggest that the H-bonds of the fluorine atoms with the hydrogen atoms on the pyridine rings are stronger than those of the fluorine atoms with the butyl chain hydrogens. The present results can offer useful information for understanding the physicochemical properties of [BPy(+)][BF(4)(-)] IL and further designing new pyridinium-based ILs.

Ultra-intense laser interaction with specially-designed targets as a source of energetic protons

NASA Astrophysics Data System (ADS)

Psikal, J.; Matys, M.

2017-05-01

In this contribution, we discuss the optimization of laser driven proton acceleration efficiency by nanostructured targets, interpret the experimental results showing the manipulation of proton beam profiles by nanosctructured rear surface of the targets and investigate the acceleration of protons from hydrogen solid ribbon by PW-class lasers, with the help of multidimensional particle-in-cell simulations. Microstructured hollow targets are proposed to enhance the absorption of the laser pulse energy while keeping the target thickness to minimum, which is both favorable for enhanced efficiency of the acceleration of protons. Thin targets with grating structures of various configurations on their rear sides stretch the proton beams in the perpendicular direction to the grating orientation due to transverse electric fields generated inside the target grooves and can reduce the proton beam divergence in the parallel direction to the grating due to a lower density of the stretched beam compared with flat foils. Finally, it is shown that when multiPW laser pulse interacts with hydrogen solid ribbon, hole boring radiation pressure acceleration (RPA) dominates over the target normal sheath acceleration (TNSA).

Cooperative DNA Recognition Modulated by an Interplay between Protein-Protein Interactions and DNA-Mediated Allostery

PubMed Central

Merino, Felipe; Bouvier, Benjamin; Cojocaru, Vlad

2015-01-01

Highly specific transcriptional regulation depends on the cooperative association of transcription factors into enhanceosomes. Usually, their DNA-binding cooperativity originates from either direct interactions or DNA-mediated allostery. Here, we performed unbiased molecular simulations followed by simulations of protein-DNA unbinding and free energy profiling to study the cooperative DNA recognition by OCT4 and SOX2, key components of enhanceosomes in pluripotent cells. We found that SOX2 influences the orientation and dynamics of the DNA-bound configuration of OCT4. In addition SOX2 modifies the unbinding free energy profiles of both DNA-binding domains of OCT4, the POU specific and POU homeodomain, despite interacting directly only with the first. Thus, we demonstrate that the OCT4-SOX2 cooperativity is modulated by an interplay between protein-protein interactions and DNA-mediated allostery. Further, we estimated the change in OCT4-DNA binding free energy due to the cooperativity with SOX2, observed a good agreement with experimental measurements, and found that SOX2 affects the relative DNA-binding strength of the two OCT4 domains. Based on these findings, we propose that available interaction partners in different biological contexts modulate the DNA exploration routes of multi-domain transcription factors such as OCT4. We consider the OCT4-SOX2 cooperativity as a paradigm of how specificity of transcriptional regulation is achieved through concerted modulation of protein-DNA recognition by different types of interactions. PMID:26067358

Cooperative DNA Recognition Modulated by an Interplay between Protein-Protein Interactions and DNA-Mediated Allostery.

PubMed

Merino, Felipe; Bouvier, Benjamin; Cojocaru, Vlad

2015-06-01

Highly specific transcriptional regulation depends on the cooperative association of transcription factors into enhanceosomes. Usually, their DNA-binding cooperativity originates from either direct interactions or DNA-mediated allostery. Here, we performed unbiased molecular simulations followed by simulations of protein-DNA unbinding and free energy profiling to study the cooperative DNA recognition by OCT4 and SOX2, key components of enhanceosomes in pluripotent cells. We found that SOX2 influences the orientation and dynamics of the DNA-bound configuration of OCT4. In addition SOX2 modifies the unbinding free energy profiles of both DNA-binding domains of OCT4, the POU specific and POU homeodomain, despite interacting directly only with the first. Thus, we demonstrate that the OCT4-SOX2 cooperativity is modulated by an interplay between protein-protein interactions and DNA-mediated allostery. Further, we estimated the change in OCT4-DNA binding free energy due to the cooperativity with SOX2, observed a good agreement with experimental measurements, and found that SOX2 affects the relative DNA-binding strength of the two OCT4 domains. Based on these findings, we propose that available interaction partners in different biological contexts modulate the DNA exploration routes of multi-domain transcription factors such as OCT4. We consider the OCT4-SOX2 cooperativity as a paradigm of how specificity of transcriptional regulation is achieved through concerted modulation of protein-DNA recognition by different types of interactions.

Exchange interactions in transition metal oxides: the role of oxygen spin polarization.

PubMed

Logemann, R; Rudenko, A N; Katsnelson, M I; Kirilyuk, A

2017-08-23

Magnetism of transition metal (TM) oxides is usually described in terms of the Heisenberg model, with orientation-independent interactions between the spins. However, the applicability of such a model is not fully justified for TM oxides because spin polarization of oxygen is usually ignored. In the conventional model based on the Anderson principle, oxygen effects are considered as a property of the TM ion and only TM interactions are relevant. Here, we perform a systematic comparison between two approaches for spin polarization on oxygen in typical TM oxides. To this end, we calculate the exchange interactions in NiO, MnO and hematite (Fe 2 O 3 ) for different magnetic configurations using the magnetic force theorem. We consider the full spin Hamiltonian including oxygen sites, and also derive an effective model where the spin polarization on oxygen renormalizes the exchange interactions between TM sites. Surprisingly, the exchange interactions in NiO depend on the magnetic state if spin polarization on oxygen is neglected, resulting in non-Heisenberg behavior. In contrast, the inclusion of spin polarization in NiO makes the Heisenberg model more applicable. Just the opposite, MnO behaves as a Heisenberg magnet when oxygen spin polarization is neglected, but shows strong non-Heisenberg effects when spin polarization on oxygen is included. In hematite, both models result in non-Heisenberg behavior. The general applicability of the magnetic force theorem as well as the Heisenberg model to TM oxides is discussed.

Finite element modeling as a tool for predicting the fracture behavior of robocast scaffolds.

PubMed

Miranda, Pedro; Pajares, Antonia; Guiberteau, Fernando

2008-11-01

The use of finite element modeling to calculate the stress fields in complex scaffold structures and thus predict their mechanical behavior during service (e.g., as load-bearing bone implants) is evaluated. The method is applied to identifying the fracture modes and estimating the strength of robocast hydroxyapatite and beta-tricalcium phosphate scaffolds, consisting of a three-dimensional lattice of interpenetrating rods. The calculations are performed for three testing configurations: compression, tension and shear. Different testing orientations relative to the calcium phosphate rods are considered for each configuration. The predictions for the compressive configurations are compared to experimental data from uniaxial compression tests.

Theoretical calculations of rotationally inelastic collisions of He with NaK(A (1)Σ(+)): Transfer of population, orientation, and alignment.

PubMed

Malenda, R F; Price, T J; Stevens, J; Uppalapati, S L; Fragale, A; Weiser, P M; Kuczala, A; Talbi, D; Hickman, A P

2015-06-14

We have performed extensive calculations to investigate thermal energy, rotationally inelastic collisions of NaK (A(1)Σ(+)) with He. We determined a potential energy surface using a multi-reference configuration interaction wave function as implemented by the GAMESS electronic structure code, and we have performed coupled channel scattering calculations using the Arthurs and Dalgarno formalism. We also calculate the Grawert coefficients B(λ)(j, j') for each j → j' transition. These coefficients are used to determine the probability that orientation and alignment are preserved in collisions taking place in a cell environment. The calculations include all rotational levels with j or j' between 0 and 50, and total (translational and rotational) energies in the range 0.0002-0.0025 a.u. (∼44-550 cm(-1)). The calculated cross sections for transitions with even values of Δj tend to be larger than those for transitions with odd Δj, in agreement with the recent experiments of Wolfe et al. (J. Chem. Phys. 134, 174301 (2011)). The calculations of the energy dependence of the cross sections and the calculations of the fraction of orientation and alignment preserved in collisions also exhibit distinctly different behaviors for odd and even values of Δj. The calculations also indicate that the average fraction of orientation or alignment preserved in a transition becomes larger as j increases. We interpret this behavior using the semiclassical model of Derouard, which also leads to a simple way of visualizing the distribution of the angles between the initial and final angular momentum vectors j and j'. Finally, we compare the exact quantum results for j → j' transitions with results based on the simpler, energy sudden approximation. That approximation is shown to be quite accurate.

Experimental investigation on a vectorized aerodynamic dielectric barrier discharge plasma actuator array

NASA Astrophysics Data System (ADS)

Neretti, Gabriele; Cristofolini, Andrea; Borghi, Carlo A.

2014-04-01

The Electro-Hydro-Dynamics (EHD) interaction, induced in atmospheric pressure still air by a surface dielectric barrier discharge (DBD) actuator, had been experimentally studied. A plasma aerodynamic actuator array, able to produce a vectorized jet, with the induced airflow oriented toward the desired direction, had been developed. The array was constituted by a sequence of single surface DBD actuators with kapton as dielectric material. An ac voltage in the range of 0-6 kV peak at 15 kHz had been used. The vectorization had been obtained by feeding the upper electrodes with different voltages and by varying the electrical connections. The lower electrodes had been connected either to ground or to the high voltage source, to produce the desired jet orientation and to avoid plasma formation acting in an undesired direction. Voltage and current measurements had been carried out to evaluate waveforms and to estimate the active power delivered to the discharge. Schlieren imaging allowed to visualize the induced jet and to estimate its orientation. Pitot measurements had been performed to obtain velocity profiles for all jet configurations. A proportional relation between the jet deflection angle and the applied voltage had been found. Moreover, a linear relation had been obtained between the maximum speed in the jet direction and the applied voltage. The active power of the discharge is approximated by both a power law function and an exponential function of the applied voltage.

Progressive Stereo Locking (PSL): A Residual Dipolar Coupling Based Force Field Method for Determining the Relative Configuration of Natural Products and Other Small Molecules.

PubMed

Cornilescu, Gabriel; Ramos Alvarenga, René F; Wyche, Thomas P; Bugni, Tim S; Gil, Roberto R; Cornilescu, Claudia C; Westler, William M; Markley, John L; Schwieters, Charles D

2017-08-18

Establishing the relative configuration of a bioactive natural product represents the most challenging part in determining its structure. Residual dipolar couplings (RDCs) are sensitive probes of the relative spatial orientation of internuclear vectors. We adapted a force field structure calculation methodology to allow free sampling of both R and S configurations of the stereocenters of interest. The algorithm uses a floating alignment tensor in a simulated annealing protocol to identify the conformations and configurations that best fit experimental RDC and distance restraints (from NOE and J-coupling data). A unique configuration (for rigid molecules) or a very small number of configurations (for less rigid molecules) of the structural models having the lowest chiral angle energies and reasonable magnitudes of the alignment tensor are provided as the best predictions of the unknown configuration. For highly flexible molecules, the progressive locking of their stereocenters into their statistically dominant R or S state dramatically reduces the number of possible relative configurations. The result is verified by checking that the same configuration is obtained by initiating the locking from different regions of the molecule. For all molecules tested having known configurations (with conformations ranging from mostly rigid to highly flexible), the method accurately determined the correct configuration.

Radial midframe baffle for can-annular combustor arrangement having tangentially oriented combustor cans

DOEpatents

Rodriguez, Jose L.

2015-09-15

A can-annular gas turbine engine combustion arrangement (10), including: a combustor can (12) comprising a combustor inlet (38) and a combustor outlet circumferentially and axially offset from the combustor inlet; an outer casing (24) defining a plenum (22) in which the combustor can is disposed; and baffles (70) configured to divide the plenum into radial sectors (72) and configured to inhibit circumferential motion of compressed air (16) within the plenum.

Instability of multi-layer fluid configurations in the presence of time-dependent accelerations in a microgravity environment

NASA Technical Reports Server (NTRS)

Lyell, M. J.; Roh, Michael

1991-01-01

The increasing number of research opportunities in a microgravity environment will benefit not only fundamental studies in fluid dynamics, but also technological applications such as those involving materials processing. In particular, fluid configurations which involve fluid-fluid interfaces would occur in a variety of experimental investigations. This work investigates the stability of a configuration involving fluid-fluid interfaces in the presence of a time-dependent forcing. Both periodic (g-jitter) and nonperiodic accelerations are considered. The fluid configuration is multilayered, and infinite in extent. The analysis is linear and inviscid, and the acceleration vector is oriented perpendicular to each interface. A Floquet analysis is employed in the case of the periodic forcing. In the problem of nonperiodic forcing, the resulting system of equations are integrated in time. Specific nondimensional parameters appear in each problem. The configuration behavior is investigated for a range of parameter values.

Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms.

PubMed

Wu, Qianqian; Yue, Honghao; Liu, Rongqiang; Zhang, Xiaoyou; Ding, Liang; Liang, Tian; Deng, Zongquan

2015-08-14

High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms.

Measurement Model and Precision Analysis of Accelerometers for Maglev Vibration Isolation Platforms

PubMed Central

Wu, Qianqian; Yue, Honghao; Liu, Rongqiang; Zhang, Xiaoyou; Ding, Liang; Liang, Tian; Deng, Zongquan

2015-01-01

High precision measurement of acceleration levels is required to allow active control for vibration isolation platforms. It is necessary to propose an accelerometer configuration measurement model that yields such a high measuring precision. In this paper, an accelerometer configuration to improve measurement accuracy is proposed. The corresponding calculation formulas of the angular acceleration were derived through theoretical analysis. A method is presented to minimize angular acceleration noise based on analysis of the root mean square noise of the angular acceleration. Moreover, the influence of installation position errors and accelerometer orientation errors on the calculation precision of the angular acceleration is studied. Comparisons of the output differences between the proposed configuration and the previous planar triangle configuration under the same installation errors are conducted by simulation. The simulation results show that installation errors have a relatively small impact on the calculation accuracy of the proposed configuration. To further verify the high calculation precision of the proposed configuration, experiments are carried out for both the proposed configuration and the planar triangle configuration. On the basis of the results of simulations and experiments, it can be concluded that the proposed configuration has higher angular acceleration calculation precision and can be applied to different platforms. PMID:26287203

Computer Series, 75: Bits and Pieces, 30.

ERIC Educational Resources Information Center

Moore, John W., Ed.

1986-01-01

Identifies six computer-oriented approaches to teaching concepts in chemistry. Describes courseware and equipment involved in various experiments dealing with such topics as polymer configurations, stepper motors, conductometric titration, kinetic spectrophotometry, and overlap integrals. (TW)

Origin and Function of Tuning Diversity in Macaque Visual Cortex.

PubMed

Goris, Robbe L T; Simoncelli, Eero P; Movshon, J Anthony

2015-11-18

Neurons in visual cortex vary in their orientation selectivity. We measured responses of V1 and V2 cells to orientation mixtures and fit them with a model whose stimulus selectivity arises from the combined effects of filtering, suppression, and response nonlinearity. The model explains the diversity of orientation selectivity with neuron-to-neuron variability in all three mechanisms, of which variability in the orientation bandwidth of linear filtering is the most important. The model also accounts for the cells' diversity of spatial frequency selectivity. Tuning diversity is matched to the needs of visual encoding. The orientation content found in natural scenes is diverse, and neurons with different selectivities are adapted to different stimulus configurations. Single orientations are better encoded by highly selective neurons, while orientation mixtures are better encoded by less selective neurons. A diverse population of neurons therefore provides better overall discrimination capabilities for natural images than any homogeneous population. Copyright © 2015 Elsevier Inc. All rights reserved.

Determination of Earth orientation using the Global Positioning System

NASA Technical Reports Server (NTRS)

Freedman, A. P.

1989-01-01

Modern spacecraft tracking and navigation require highly accurate Earth-orientation parameters. For near-real-time applications, errors in these quantities and their extrapolated values are a significant error source. A globally distributed network of high-precision receivers observing the full Global Positioning System (GPS) configuration of 18 or more satellites may be an efficient and economical method for the rapid determination of short-term variations in Earth orientation. A covariance analysis using the JPL Orbit Analysis and Simulation Software (OASIS) was performed to evaluate the errors associated with GPS measurements of Earth orientation. These GPS measurements appear to be highly competitive with those from other techniques and can potentially yield frequent and reliable centimeter-level Earth-orientation information while simultaneously allowing the oversubscribed Deep Space Network (DSN) antennas to be used more for direct project support.

Perception of second- and third-order orientation signals and their interactions

PubMed Central

Victor, Jonathan D.; Thengone, Daniel J.; Conte, Mary M.

2013-01-01

Orientation signals, which are crucial to many aspects of visual function, are more complex and varied in the natural world than in the stimuli typically used for laboratory investigation. Gratings and lines have a single orientation, but in natural stimuli, local features have multiple orientations, and multiple orientations can occur even at the same location. Moreover, orientation cues can arise not only from pairwise spatial correlations, but from higher-order ones as well. To investigate these orientation cues and how they interact, we examined segmentation performance for visual textures in which the strengths of different kinds of orientation cues were varied independently, while controlling potential confounds such as differences in luminance statistics. Second-order cues (the kind present in gratings) at different orientations are largely processed independently: There is no cancellation of positive and negative signals at orientations that differ by 45°. Third-order orientation cues are readily detected and interact only minimally with second-order cues. However, they combine across orientations in a different way: Positive and negative signals largely cancel if the orientations differ by 90°. Two additional elements are superimposed on this picture. First, corners play a special role. When second-order orientation cues combine to produce corners, they provide a stronger signal for texture segregation than can be accounted for by their individual effects. Second, while the object versus background distinction does not influence processing of second-order orientation cues, this distinction influences the processing of third-order orientation cues. PMID:23532909

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

Meng, Ling-Jian

A gamma ray detector apparatus comprises a solid state detector that includes a plurality of anode pixels and at least one cathode. The solid state detector is configured for receiving gamma rays during an interaction and inducing a signal in an anode pixel and in a cathode. An anode pixel readout circuit is coupled to the plurality of anode pixels and is configured to read out and process the induced signal in the anode pixel and provide triggering and addressing information. A waveform sampling circuit is coupled to the at least one cathode and configured to read out and processmore » the induced signal in the cathode and determine energy of the interaction, timing of the interaction, and depth of interaction.« less

Orienting to Topic in Clinical Discourse Elicitation of Everyday Conversation

ERIC Educational Resources Information Center

Fond, Marissa Joanne

2013-01-01

Talking topically, as it is understood intuitively and evoked metadiscursively, requires constructing an intersubjective orientation to talk that must be continually renewed. Analysis of interactants' ability to orient to topic emergence provides evidence of what is achieved in interaction, as well as why conversational coordination can lapse…

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

NASA Astrophysics Data System (ADS)

Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada

2011-06-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

Replica-exchange molecular dynamics simulation of basic fibroblast growth factor adsorption on hydroxyapatite.

PubMed

Liao, Chenyi; Zhou, Jian

2014-06-05

The adsorption of basic fibroblast growth factor (bFGF) on the hydroxyapatite (001) surface was investigated by a combination of replica-exchange molecular dynamics (REMD) and conventional molecular dynamics (CMD) methods. In CMD, the protein cannot readily cross the surface water layer, whereas in REMD, the protein can cross the adsorption barrier from the surface water layer and go through weak, medium, then strong adsorption states with three energetically preferred configurations: heparin-binding-up (HP-up), heparin-binding-middle (HP-middle), and heparin-binding-down (HP-down). The HP-middle orientation, with the strongest adsorption energy (-1149 ± 40 kJ·mol(-1)), has the largest adsorption population (52.1-52.6%) and exhibits the largest conformational charge (RMSD of 0.26 ± 0.01 nm) among the three orientations. The HP-down and HP-up orientations, with smaller adsorption energies of -1022 ± 55 and -894 ± 70 kJ·mol(-1), respectively, have smaller adsorption populations of 27.4-27.7% and 19.7-20.5% and present smaller RMSD values of 0.21 ± 0.01 and 0.19 ± 0.01 nm, respectively. The convergent distribution indicates that nearly half of the population (in the HP-middle orientation) will support both FGF/FGFR and DGR-integrin signaling and another half (in the HP-up and HP-down orientations) will support DGR-integrin signaling. The major population (~80%) has the protein dipole directed outward. In the strong adsorption state, there are usually 2 to 3 basic residues that form the anchoring interactions of 210-332 kJ·mol(-1) per residue or that are accompanied by an acidic residue with an adsorption energy of ~207 kJ·mol(-1). Together, the major bound residues form a triangle or a quadrilateral on the surface and stabilize the adsorption geometrically, which indicates topologic matching between the protein and HAP surfaces.

Intermolecular interactions between imidazole derivatives intercalated in layered solids. Substituent group effect

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

González, M.; Lemus-Santana, A.A.; Rodríguez-Hernández, J.

2013-08-15

This study sheds light on the intermolecular interactions between imidazole derive molecules (2-methyl-imidazole, 2-ethyl-imidazole and benzimidazole) intercalated in T[Ni(CN){sub 4}] layers to form a solid of formula unit T(ImD){sub 2}[Ni(CN){sub 4}]. These hybrid inorganic–organic solids were prepared by soft chemical routes and their crystal structures solved and refined from X-ray powder diffraction data. The involved imidazole derivative molecules were found coordinated through the pyridinic N atom to the axial positions for the metal T in the T[Ni(CN){sub 4}] layer. In the interlayers region ligand molecules from neighboring layers remain stacked in a face-to-face configuration through dipole–dipole and quadrupole–quadrupole interactions. Thesemore » intermolecular interactions show a pronounced dependence on the substituent group and are responsible for an ImD-pillaring concatenation of adjacent layers. This is supported by the structural information and the recorded magnetic data in the 2–300 K temperature range. The samples containing Co and Ni are characterized by presence of spin–orbit coupling and pronounced temperature dependence for the effective magnetic moment except for 2-ethyl-imidazole related to the local distortion for the metal coordination environment. For this last one ligand a weak ferromagnetic ordering ascribed to a super-exchange interaction between T metals from neighboring layers through the ligands π–π interaction was detected. - Graphical abstract: In the interlayers region imidazole derivative molecules are oriented according to their dipolar and quadrupolar interactions and minimizing the steric impediment. Highlights: • Imidazole derivatives intercalation compounds. • Intermolecular interaction between intercalated imidazole derivatives. • Hybrid inorganic–organic solids. • Pi–pi interactions and ferromagnetic coupling. • Dipolar and quadrupolar interactions between intercalated imidazole derivatives.« less

Comparative Performance and Model Agreement of Three Common Photovoltaic Array Configurations.

PubMed

Boyd, Matthew T

2018-02-01

Three grid-connected monocrystalline silicon arrays on the National Institute of Standards and Technology (NIST) campus in Gaithersburg, MD have been instrumented and monitored for 1 yr, with only minimal gaps in the data sets. These arrays range from 73 kW to 271 kW, and all use the same module, but have different tilts, orientations, and configurations. One array is installed facing east and west over a parking lot, one in an open field, and one on a flat roof. Various measured relationships and calculated standard metrics have been used to compare the relative performance of these arrays in their different configurations. Comprehensive performance models have also been created in the modeling software pvsyst for each array, and its predictions using measured on-site weather data are compared to the arrays' measured outputs. The comparisons show that all three arrays typically have monthly performance ratios (PRs) above 0.75, but differ significantly in their relative output, strongly correlating to their operating temperature and to a lesser extent their orientation. The model predictions are within 5% of the monthly delivered energy values except during the winter months, when there was intermittent snow on the arrays, and during maintenance and other outages.

Raman scattering from TO phonons in (GaAs)n/(AlAs)n superlattices

NASA Astrophysics Data System (ADS)

Wang, Z. P.; Han, H. X.; Li, G. H.; Jiang, D. S.; Ploog, K.

1988-10-01

(GaAS)n/(AlAs)n superlattices with n=4, 6, and 8 grown by molecular-beam epitaxy on (001)-oriented GaAs substrates were investigated by Raman scattering. In a strict backscattering geometry, confined TO-phonon modes with E symmetry are Raman forbidden. However, the effects due to near-Brewster-angle incidence and a large aperture of the scattering-light collecting lens create a small wave-vector component along the (110) orientation, and thus induce a Raman activity of TO phonons. When we take X∥[11¯0], Y∥[110], and Z∥[001], in the near-Z(YX)Z¯ backscattering configuration confined LO-phonon modes are Raman inactive. Using this configuration, we have for the first time observed both GaAs-like and AlAs-like confined TO-phonon modes at room temperature and under off-resonance conditions.

Comparison of thermal insulation performance of fibrous materials for the advanced space suit.

PubMed

Paul, Heather L; Diller, Kenneth R

2003-10-01

The current multi-layer insulation used in the extravehicular mobility unit (EMU) will not be effective in the atmosphere of Mars due to the presence of interstitial gases. Alternative thermal insulation means have been subjected to preliminary evaluation by NASA to attempt to identify a material that will meet the target conductivity of 0.005 W/m-K. This study analyzes numerically the thermal conductivity performance for three of these candidate insulating fiber materials in terms of various denier (size), interstitial void fractions, interstitial void media, and orientations to the applied temperature gradient to evaluate their applicability for the new Mars suit insulation. The results demonstrate that the best conductive insulation is achieved for a high-void-fraction configuration with a grooved fiber cross section, aerogel void medium, and the fibers oriented normal to the heat flux vector. However, this configuration still exceeds the target thermal conductivity by a factor of 1.5.

Microenergetic Shock Initiation Studies on Deposited Films of Petn

NASA Astrophysics Data System (ADS)

Tappan, Alexander S.; Wixom, Ryan R.; Trott, Wayne M.; Long, Gregory T.; Knepper, Robert; Brundage, Aaron L.; Jones, David A.

2009-12-01

Films of the high explosive PETN (pentaerythritol tetranitrate) up to 500-μm thick have been deposited through physical vapor deposition, with the intent of creating well-defined samples for shock-initiation studies. PETN films were characterized with microscopy, x-ray diffraction, and focused ion beam nanotomography. These high-density films were subjected to strong shocks in both the out-of-plane and in-plane orientations. Initiation behavior was monitored with high-speed framing and streak camera photography. Direct initiation with a donor explosive (either RDX with binder, or CL-20 with binder) was possible in both orientations, but with the addition of a thin aluminum buffer plate (in-plane configuration only), initiation proved to be difficult. Initiation was possible with an explosively-driven 0.13-mm thick Kapton flyer and direct observation of initiation behavior was examined using streak camera photography at different flyer velocities. Models of this configuration were created using the shock physics code CTH.

MAGE (M-file/Mif Automatic GEnerator): A graphical interface tool for automatic generation of Object Oriented Micromagnetic Framework configuration files and Matlab scripts for results analysis

NASA Astrophysics Data System (ADS)

Chęciński, Jakub; Frankowski, Marek

2016-10-01

We present a tool for fully-automated generation of both simulations configuration files (Mif) and Matlab scripts for automated data analysis, dedicated for Object Oriented Micromagnetic Framework (OOMMF). We introduce extended graphical user interface (GUI) that allows for fast, error-proof and easy creation of Mifs, without any programming skills usually required for manual Mif writing necessary. With MAGE we provide OOMMF extensions for complementing it by mangetoresistance and spin-transfer-torque calculations, as well as local magnetization data selection for output. Our software allows for creation of advanced simulations conditions like simultaneous parameters sweeps and synchronic excitation application. Furthermore, since output of such simulation could be long and complicated we provide another GUI allowing for automated creation of Matlab scripts suitable for analysis of such data with Fourier and wavelet transforms as well as user-defined operations.

Cafe: A Generic Configurable Customizable Composite Cloud Application Framework

NASA Astrophysics Data System (ADS)

Mietzner, Ralph; Unger, Tobias; Leymann, Frank

In this paper we present Cafe (Composite Application Framework) an approach to describe configurable composite service-oriented applications and to automatically provision them across different providers. Cafe enables independent software vendors to describe their composite service-oriented applications and the components that are used to assemble them. Components can be internal to the application or external and can be deployed in any of the delivery models present in the cloud. The components are annotated with requirements for the infrastructure they later need to be run on. Providers on the other hand advertise their infrastructure services by describing them as infrastructure capabilities. The separation of software vendors and providers enables end users and providers to follow a best-of-breed strategy by combining arbitrary applications with arbitrary providers. We show how such applications can be automatically provisioned and present an architecture and a prototype that implements the concepts.

Microstructure and phase behavior in colloids and liquid crystals

NASA Astrophysics Data System (ADS)

Lohr, Matthew Alan

This thesis describes our investigation of microstructure and phase behavior in colloids and liquid crystals. The first set of experiments explores the phase behavior of helical packings of thermoresponsive microspheres inside glass capillaries as a function of volume fraction. Stable helical packings are observed with long-range orientational order. Some of these packings evolve abruptly to disordered states as the volume fraction is reduced. We quantify these transitions using correlation functions and susceptibilities of an orientational order parameter. The emergence of coexisting metastable packings, as well as coexisting ordered and disordered states, is also observed. These findings support the notion of phase-transition-like behavior in quasi-one-dimensional systems. The second set of experiments investigates cross-over behavior from glasses with attractive interactions to sparse gel-like states. In particular, the vibrational modes of quasi-two-dimensional disordered colloidal packings of hard colloidal spheres with short-range attractions are measured as a function of packing fraction. A crossover from glassy to sparse gel-like states is indicated by an excess of low-frequency phonon modes. This change in vibrational mode distribution appears to arise from highly localized vibrations that tend to involve individual and/or small clusters of particles with few local bonds. These mode behaviors and corresponding structural insights may serve as a useful signature for glass-gel transitions in wider classes of attractive packings. A third set of experiments explores the director structures of aqueous lyotropic chromonic liquid crystal (LCLC) films created on square lattice cylindrical-micropost substrates. The structures are manipulated by modulating of the concentration-dependent elastic properties of LCLC s via drying. Nematic LCLC films exhibit preferred bistable alignment along the diagonals of the micropost lattice. Columnar LCLC films form two distinct director and defect configurations: a diagonally aligned director pattern with local squares of defects, and an off-diagonal configuration with zig-zag defects. The formation of these patterns appears to be tied to the relative free energy costs of splay and bend deformations in the precursor nematic films. The observed nematic and columnar configurations are understood numerically using a Landau-de Gennes free energy model. This work provides first examples of quasi-2D micropatterning of LC films in the columnar phase and the first micropatterning of lyotropic LC films in general, as well as demonstrating alignment and configuration switching of typically difficult-to-align LCLC films via bulk elastic properties.

Interfacial instabilities in vibrated fluids

NASA Astrophysics Data System (ADS)

Porter, Jeff; Laverón-Simavilla, Ana; Tinao Perez-Miravete, Ignacio; Fernandez Fraile, Jose Javier

2016-07-01

Vibrations induce a range of different interfacial phenomena in fluid systems depending on the frequency and orientation of the forcing. With gravity, (large) interfaces are approximately flat and there is a qualitative difference between vertical and horizontal forcing. Sufficient vertical forcing produces subharmonic standing waves (Faraday waves) that extend over the whole interface. Horizontal forcing can excite both localized and extended interfacial phenomena. The vibrating solid boundaries act as wavemakers to excite traveling waves (or sloshing modes at low frequencies) but they also drive evanescent bulk modes whose oscillatory pressure gradient can parametrically excite subharmonic surface waves like cross-waves. Depending on the magnitude of the damping and the aspect ratio of the container, these locally generated surfaces waves may interact in the interior resulting in temporal modulation and other complex dynamics. In the case where the interface separates two fluids of different density in, for example, a rectangular container, the mass transfer due to vertical motion near the endwalls requires a counterflow in the interior region that can lead to a Kelvin-Helmholtz type instability and a ``frozen wave" pattern. In microgravity, the dominance of surface forces favors non-flat equilibrium configurations and the distinction between vertical and horizontal applied forcing can be lost. Hysteresis and multiplicity of solutions are more common, especially in non-wetting systems where disconnected (partial) volumes of fluid can be established. Furthermore, the vibrational field contributes a dynamic pressure term that competes with surface tension to select the (time averaged) shape of the surface. These new (quasi-static) surface configurations, known as vibroequilibria, can differ substantially from the hydrostatic state. There is a tendency for the interface to orient perpendicular to the vibrational axis and, in some cases, a bulge or cavity is induced that leads to splitting (fluid separation). We investigate the interaction of these prominent interfacial instabilities in the absence of gravity, concentrating on harmonically vibrated rectangular containers of fluid. We compare vibroequilibria theory with direct numerical simulations and consider the effect of surfaces waves, which can excite sloshing motion of the vibroequilibria. We systematically investigate the saddle-node bifurcation experienced by a symmetric singly connected vibroequilibria solution, for sufficiently deep containers, as forcing is increased. Beyond this instability, the fluid rapidly separates into (at least) two distinct masses. Pronounced hysteresis is associated with this transition, even in the presence of gravity. The interaction of vibroequilibria and frozen waves is investigated in two-fluid systems. Preparations for a parabolic flight experiment on fluids vibrated at high frequencies are discussed.

The Relation of Prosocial Orientation to Peer Interactions, Family Social Environment and Personality of Chinese Adolescents

ERIC Educational Resources Information Center

Ma, Hing Keung; Cheung, Ping Chung; Shek, Daniel T. L.

2007-01-01

This study investigated the relation of peer interactions, family social environment and personality to prosocial orientation in Chinese adolescents. The results indicated no sex differences in general prosocial orientation and inclination to help others, but sex differences in inclination to maintain an affective relationship and inclination to…

Moral disengagement and callous unemotional traits configurations in adolescents with disruptive behavior disorder: A person-oriented approach.

PubMed

Paciello, Marinella; Masi, Gabriele; Clemente, Maria Grazia; Milone, Annarita; Muratori, Pietro

2017-12-01

The interplay between Callous Unemotional Traits (CU) and Moral Disengagement (MD) was examined in a sample of 90 adolescents with Disruptive Behavior Disorders. Using a person-centered approach, three CU and MD configurations were identified, attesting the strong relationship between these two moral dimensions. However, for some adolescents, CU and MD do not 'move together'. Practical implications are discussed in terms of assessment and intervention. Copyright © 2017 Elsevier B.V. All rights reserved.

TripAdvisor^{N-D}: A Tourism-Inspired High-Dimensional Space Exploration Framework with Overview and Detail.

PubMed

Nam, Julia EunJu; Mueller, Klaus

2013-02-01

Gaining a true appreciation of high-dimensional space remains difficult since all of the existing high-dimensional space exploration techniques serialize the space travel in some way. This is not so foreign to us since we, when traveling, also experience the world in a serial fashion. But we typically have access to a map to help with positioning, orientation, navigation, and trip planning. Here, we propose a multivariate data exploration tool that compares high-dimensional space navigation with a sightseeing trip. It decomposes this activity into five major tasks: 1) Identify the sights: use a map to identify the sights of interest and their location; 2) Plan the trip: connect the sights of interest along a specifyable path; 3) Go on the trip: travel along the route; 4) Hop off the bus: experience the location, look around, zoom into detail; and 5) Orient and localize: regain bearings in the map. We describe intuitive and interactive tools for all of these tasks, both global navigation within the map and local exploration of the data distributions. For the latter, we describe a polygonal touchpad interface which enables users to smoothly tilt the projection plane in high-dimensional space to produce multivariate scatterplots that best convey the data relationships under investigation. Motion parallax and illustrative motion trails aid in the perception of these transient patterns. We describe the use of our system within two applications: 1) the exploratory discovery of data configurations that best fit a personal preference in the presence of tradeoffs and 2) interactive cluster analysis via cluster sculpting in N-D.

The effect of talking about psychological trauma with a significant other on heart rate reactivity in individuals with posttraumatic stress disorder.

PubMed

Nachar, Nadim; Lavoie, Marc E; Marchand, André; O'Connor, Kieron P; Guay, Stéphane

2014-09-30

Individuals with posttraumatic stress disorder (PTSD) commonly make efforts to avoid trauma-oriented conversations with their significant others, which may interfere with the natural recovery process. Trauma-oriented conversations can be experienced as physiologically arousing, depending on the intensity of PTSD symptoms and perceptions of social support. In the current investigation, changes in heart rate responses to a trauma-oriented social interaction with a significant other were assessed. Perceived supportive and unsupportive or negative social interactions were examined as moderators of the association between heart rate changes to this context and intensity of PTSD symptoms. A total of 46 individuals with PTSD completed diagnostic interviews and self-report measures of symptoms and perceived supportive and negative social interactions during a trauma-oriented social interaction with a significant other. Heart rate was continuously measured during this interaction. Results showed that engagement in a trauma-oriented social interaction was predictive of elevations in heart rate that positively correlated with intensity of PTSD symptoms. The moderation hypothesis was partially supported. In addition, perceived negative social interactions positively correlated with elevations in heart rate. These findings can inform social intervention efforts for individuals with PTSD. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Micromagnetics of antiskyrmions in ultrathin films

NASA Astrophysics Data System (ADS)

Camosi, Lorenzo; Rougemaille, Nicolas; Fruchart, Olivier; Vogel, Jan; Rohart, Stanislas

2018-04-01

We present a combined analytical and numerical micromagnetic study of the equilibrium energy, size, and shape of antiskyrmionic magnetic configurations. Antiskyrmions can be stabilized when the Dzyaloshinskii-Moriya interaction has opposite signs along two orthogonal in-plane directions, breaking the magnetic circular symmetry. We compare the equilibrium energy, size, and shape of antiskyrmions and skyrmions that are stabilized in environments with anisotropic and isotropic Dzyaloshinskii-Moriya interactions, respectively, but with the same strength of the magnetic interactions. When the dipolar interactions are neglected, the skyrmion and the antiskyrmion have the same energy, shape, and size in their respective environments. However, when dipolar interactions are considered, the energy of the antiskyrmion is strongly reduced, and its equilibrium size increases with respect to that of the skyrmion. While the skyrmion configuration shows homochiral Néel magnetization rotations, antiskyrmions show partly Néel and partly Bloch rotations. The latter do not produce magnetic charges and thus cost less dipolar energy. Both magnetic configurations are stable when the magnetic energies almost cancel each other, which means that a small variation of one parameter can drastically change their configurations, sizes, and energies.

The stress intensity factors for a periodic array of interacting coplanar penny-shaped cracks

PubMed Central

Lekesiz, Huseyin; Katsube, Noriko; Rokhlin, Stanislav I.; Seghi, Robert R.

2013-01-01

The effect of crack interactions on stress intensity factors is examined for a periodic array of coplanar penny-shaped cracks. Kachanov’s approximate method for crack interactions (Int. J. Solid. Struct. 1987; 23(1):23–43) is employed to analyze both hexagonal and square crack configurations. In approximating crack interactions, the solution converges when the total truncation number of the cracks is 109. As expected, due to high density packing crack interaction in the hexagonal configuration is stronger than that in the square configuration. Based on the numerical results, convenient fitting equations for quick evaluation of the mode I stress intensity factors are obtained as a function of crack density and angle around the crack edge for both crack configurations. Numerical results for the mode II and III stress intensity factors are presented in the form of contour lines for the case of Poisson’s ratio ν =0.3. Possible errors for these problems due to Kachanov’s approximate method are estimated. Good agreement is observed with the limited number of results available in the literature and obtained by different methods. PMID:27175035

Anomalous magnetic configuration of Mn{sub 2}NiAl ribbon and the role of hybridization in the martensitic transformation of Mn{sub 50}Ni{sub 50−x}Al{sub x} ribbons

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

Zhao, R. B.; Department of Physics, Hebei Medical University, Shijiazhuang 050017; Zhao, D. W.

2014-12-08

The magnetic configuration of Mn{sub 2}NiAl ribbon has been investigated. In contrast to Ni{sub 2}MnAl, the compound Mn{sub 2}NiAl with considerable disorder does exhibit ferromagnetism and, due to exchange interaction competition, both ferromagnetic and antiferromagnetic moment orientations can coexist between nearest neighbor Mn atoms. This is unexpected in Heusler alloys. Regarding the mechanism of the martensitic transformation in Mn{sub 50}Ni{sub 50−x}Al{sub x}, it is found that increasing the Al content results in an unusual change in the lattice constant, a decrease of the transformation entropy change, and enhancement of the calculated electron localization. These results indicate that the p-d covalentmore » hybridization between Mn (or Ni) and Al atoms gradually increases at the expense of the d-d hybridization between Ni and Mn atoms. This leads to an increased stability of the austenite phase and a decrease of the martensitic transformation temperature. For 11 ≤ x ≤ 14, Mn{sub 50}Ni{sub 50−x}Al{sub x} ferromagnetic shape memory alloys are obtained.« less

Interhemispheric differences in ionospheric convection: Cluster EDI observations revisited

NASA Astrophysics Data System (ADS)

Förster, M.; Haaland, S.

2015-07-01

The interaction between the interplanetary magnetic field and the geomagnetic field sets up a large-scale circulation in the magnetosphere. This circulation is also reflected in the magnetically connected ionosphere. In this paper, we present a study of ionospheric convection based on Cluster Electron Drift Instrument (EDI) satellite measurements covering both hemispheres and obtained over a full solar cycle. The results from this study show that average flow patterns and polar cap potentials for a given orientation of the interplanetary magnetic field can be very different in the two hemispheres. In particular during southward directed interplanetary magnetic field conditions, and thus enhanced energy input from the solar wind, the measurements show that the southern polar cap has a higher cross polar cap potential. There are persistent north-south asymmetries, which cannot easily be explained by the influence of external drivers. These persistent asymmetries are primarily a result of the significant differences in the strength and configuration of the geomagnetic field between the Northern and Southern Hemispheres. Since the ionosphere is magnetically connected to the magnetosphere, this difference will also be reflected in the magnetosphere in the form of different feedback from the two hemispheres. Consequently, local ionospheric conditions and the geomagnetic field configuration are important for north-south asymmetries in large regions of geospace.

Role of inter-tube coupling and quantum interference on electrical transport in carbon nanotube junctions

NASA Astrophysics Data System (ADS)

Tripathy, Srijeet; Bhattacharyya, Tarun Kanti

2016-09-01

Due to excellent transport properties, Carbon nanotubes (CNTs) show a lot of promise in sensor and interconnect technology. However, recent studies indicate that the conductance in CNT/CNT junctions are strongly affected by the morphology and orientation between the tubes. For proper utilization of such junctions in the development of CNT based technology, it is essential to study the electronic properties of such junctions. This work presents a theoretical study of the electrical transport properties of metallic Carbon nanotube homo-junctions. The study focuses on discerning the role of inter-tube interactions, quantum interference and scattering on the transport properties on junctions between identical tubes. The electronic structure and transport calculations are conducted with an Extended Hückel Theory-Non Equilibrium Green's Function based model. The calculations indicate conductance to be varying with a changing crossing angle, with maximum conductance corresponding to lattice registry, i.e. parallel configuration between the two tubes. Further calculations for such parallel configurations indicate onset of short and long range oscillations in conductance with respect to changing overlap length. These oscillations are attributed to inter-tube coupling effects owing to changing π orbital overlap, carrier scattering and quantum interference of the incident, transmitted and reflected waves at the inter-tube junction.

Role of step stiffness and kinks in the relaxation of vicinal (001) with zigzag [110] steps

NASA Astrophysics Data System (ADS)

Mahjoub, B.; Hamouda, Ajmi BH.; Einstein, TL.

2017-08-01

We present a kinetic Monte Carlo study of the relaxation dynamics and steady state configurations of 〈110〉 steps on a vicinal (001) simple cubic surface. This system is interesting because 〈110〉 (fully kinked) steps have different elementary excitation energetics and favor step diffusion more than 〈100〉 (nominally straight) steps. In this study we show how this leads to different relaxation dynamics as well as to different steady state configurations, including that 2-bond breaking processes are rate determining for 〈110〉 steps in contrast to 3-bond breaking processes for 〈100〉-steps found in previous work [Surface Sci. 602, 3569 (2008)]. The analysis of the terrace-width distribution (TWD) shows a significant role of kink-generation-annihilation processes during the relaxation of steps: the kinetic of relaxation, toward the steady state, is much faster in the case of 〈110〉-zigzag steps, with a higher standard deviation of the TWD, in agreement with a decrease of step stiffness due to orientation. We conclude that smaller step stiffness leads inexorably to faster step dynamics towards the steady state. The step-edge anisotropy slows the relaxation of steps and increases the strength of step-step effective interactions.

Molecular modeling and SPRi investigations of interleukin 6 (IL6) protein and DNA aptamers.

PubMed

Rhinehardt, Kristen L; Vance, Stephen A; Mohan, Ram V; Sandros, Marinella; Srinivas, Goundla

2018-06-01

Interleukin 6 (IL6), an inflammatory response protein has major implications in immune-related inflammatory diseases. Identification of aptamers for the IL6 protein aids in diagnostic, therapeutic, and theranostic applications. Three different DNA aptamers and their interactions with IL6 protein were extensively investigated in a phosphate buffed saline (PBS) solution. Molecular-level modeling through molecular dynamics provided insights of structural, conformational changes and specific binding domains of these protein-aptamer complexes. Multiple simulations reveal consistent binding region for all protein-aptamer complexes. Conformational changes coupled with quantitative analysis of center of mass (COM) distance, radius of gyration (R g ), and number of intermolecular hydrogen bonds in each IL6 protein-aptamer complex was used to determine their binding performance strength and obtain molecular configurations with strong binding. A similarity comparison of the molecular configurations with strong binding from molecular-level modeling concurred with Surface Plasmon Resonance imaging (SPRi) for these three aptamer complexes, thus corroborating molecular modeling analysis findings. Insights from the natural progression of IL6 protein-aptamer binding modeled in this work has identified key features such as the orientation and location of the aptamer in the binding event. These key features are not readily feasible from wet lab experiments and impact the efficacy of the aptamers in diagnostic and theranostic applications.

A Hybrid Parachute Simulation Environment for the Orion Parachute Development Project

NASA Technical Reports Server (NTRS)

Moore, James W.

2011-01-01

A parachute simulation environment (PSE) has been developed that aims to take advantage of legacy parachute simulation codes and modern object-oriented programming techniques. This hybrid simulation environment provides the parachute analyst with a natural and intuitive way to construct simulation tasks while preserving the pedigree and authority of established parachute simulations. NASA currently employs four simulation tools for developing and analyzing air-drop tests performed by the CEV Parachute Assembly System (CPAS) Project. These tools were developed at different times, in different languages, and with different capabilities in mind. As a result, each tool has a distinct interface and set of inputs and outputs. However, regardless of the simulation code that is most appropriate for the type of test, engineers typically perform similar tasks for each drop test such as prediction of loads, assessment of altitude, and sequencing of disreefs or cut-aways. An object-oriented approach to simulation configuration allows the analyst to choose models of real physical test articles (parachutes, vehicles, etc.) and sequence them to achieve the desired test conditions. Once configured, these objects are translated into traditional input lists and processed by the legacy simulation codes. This approach minimizes the number of sim inputs that the engineer must track while configuring an input file. An object oriented approach to simulation output allows a common set of post-processing functions to perform routine tasks such as plotting and timeline generation with minimal sensitivity to the simulation that generated the data. Flight test data may also be translated into the common output class to simplify test reconstruction and analysis.

When is success not satisfying? Integrating regulatory focus and approach/avoidance motivation theories to explain the relation between core self-evaluation and job satisfaction.

PubMed

Ferris, D Lance; Johnson, Russell E; Rosen, Christopher C; Djurdjevic, Emilija; Chang, Chu-Hsiang Daisy; Tan, James A

2013-03-01

Integrating implications from regulatory focus and approach/avoidance motivation theories, we present a framework wherein motivational orientations toward positive (approach motivation orientation) or negative (avoidance motivation orientation) stimuli interact with workplace success to mediate the relation of core self-evaluation (CSE) with job satisfaction. Using data collected from supervisor-subordinate dyads (Sample 1) and time-lagged data (Sample 2), we found that the results from two studies indicated that the interaction of workplace success and avoidance motivation orientation mediated relations of CSE with job satisfaction. Although approach motivation orientation did not interact with workplace success, it did mediate the CSE-job satisfaction relation on its own. Implications for the CSE and approach/avoidance literatures are discussed.

Large-scale fabrication of vertically aligned ZnO nanowire arrays

DOEpatents

Wang, Zhong L; Das, Suman; Xu, Sheng; Yuan, Dajun; Guo, Rui; Wei, Yaguang; Wu, Wenzhuo

2013-02-05

In a method for growing a nanowire array, a photoresist layer is placed onto a nanowire growth layer configured for growing nanowires therefrom. The photoresist layer is exposed to a coherent light interference pattern that includes periodically alternately spaced dark bands and light bands along a first orientation. The photoresist layer exposed to the coherent light interference pattern along a second orientation, transverse to the first orientation. The photoresist layer developed so as to remove photoresist from areas corresponding to areas of intersection of the dark bands of the interference pattern along the first orientation and the dark bands of the interference pattern along the second orientation, thereby leaving an ordered array of holes passing through the photoresist layer. The photoresist layer and the nanowire growth layer are placed into a nanowire growth environment, thereby growing nanowires from the nanowire growth layer through the array of holes.

Perceived Average Orientation Reflects Effective Gist of the Surface.

PubMed

Cha, Oakyoon; Chong, Sang Chul

2018-03-01

The human ability to represent ensemble visual information, such as average orientation and size, has been suggested as the foundation of gist perception. To effectively summarize different groups of objects into the gist of a scene, observers should form ensembles separately for different groups, even when objects have similar visual features across groups. We hypothesized that the visual system utilizes perceptual groups characterized by spatial configuration and represents separate ensembles for different groups. Therefore, participants could not integrate ensembles of different perceptual groups on a task basis. We asked participants to determine the average orientation of visual elements comprising a surface with a contour situated inside. Although participants were asked to estimate the average orientation of all the elements, they ignored orientation signals embedded in the contour. This constraint may help the visual system to keep the visual features of occluding objects separate from those of the occluded objects.

Molecular dynamics investigation of the physisorption and interfacial characteristics of NBR chains on carbon nanotubes with different characteristics

NASA Astrophysics Data System (ADS)

Li, Kun; Gu, Boqin

2017-07-01

The present study investigates the physisorption and interfacial interactions between multiwalled carbon nanotubes (MWNTs) with different characteristics, including different numbers of walls and different functional groups, and acrylonitrile-butadiene rubber (NBR) polymer chains based on molecular dynamics simulations performed using modeled MWNT/NBR compound systems. The effects of the initial orientation of NBR chains and their relative distances to nanotubes, number of nanotube layers, and the surface functional groups of nanotubes on nanotube/polymer interactions are examined. Analysis is conducted according to the final configuration obtained in conjunction with the binding energy (Eb), radius of gyration (Rg) and end-to-end distance (h). The results show that the final conformations of NBR chains adsorbed on MWNT surfaces is associated with the initial relative angle of the NBR chains and their distance from the nanotubes. For non-functionalized MWNTs, Eb is almost directly proportional to Rg under equivalent parameters. Moreover, it is observed that functional groups hinder the wrapping of NBR chains on the MWNT surfaces. This indicates that functional groups do not always benefit the macro-mechanical properties of the composites. Moreover, the type of the major interaction force has been dramatically changed into electrostatic force from vdW force because of functionalization.

Dual redundant arm system operational quality measures and their applications - Dynamic measures

NASA Technical Reports Server (NTRS)

Lee, Sukhan; Kim, Sungbok

1990-01-01

Dual-arm dynamic operation quality measures are presented which quantify the efficiency and capability of generating Cartesian accelerations by two cooperative arms based on the analysis of dual-arm dynamic interactions. Dual-arm dynamic manipulability is defined as the efficiency of generating Cartesian accelerations under the dynamic and kinematic interactions between individual arms and an object under manipulation. The analysis of dual-arm dynamic interactions is based on the so-called Cartesian space agent model of an arm, which represents an individual arm as a force source acting upon a point mass with the effective Cartesian space arm dynamics and an environment or an object under manipulation. The Cartesian space agent model of an arm makes it possible to derive the dynamic and kinematic constraints involved in the transport, assembly and grasping modes of dual-arm cooperation. A task-oriented operational quality measure, (TOQd) is defined by evaluating dual-arm dynamic manipulability in terms of given task requirements. TOQd is used in dual-arm joint configuration optimization. Simulation results are shown. A complete set of forward dynamic equations for a dual-arm system is derived, and dual-arm dynamic operational quality measures for various modes of dual-arm cooperation allowing sliding contacts are established.

Simulations of stellar winds and planetary bodies: Magnetized obstacles in a super-Alfvénic flow with southward IMF

NASA Astrophysics Data System (ADS)

Vernisse, Y.; Riousset, J. A.; Motschmann, U.; Glassmeier, K.-H.

2018-03-01

This study addresses the issue of the electromagnetic interactions between a stellar wind and planetary magnetospheres with various dipole field strengths by means of hybrid simulations. Focus is placed on the configuration where the upstream plasma magnetic field is parallel to the planetary magnetic moment (also called "Southward-IMF" configuration), leading to anti-parallel magnetic fields in the dayside interaction region. Each type of plasma interaction is characterized by means of currents flowing in the interaction region. Reconnection triggered in the tail in such configuration is shown to affect significantly the structure of the magnetotail at early stages. On the dayside, only the magnetopause current is observable for moderate planetary dipole field amplitude, while both bow-shock and magnetotail currents are identifiable downtail from the terminator. Strong differences in term of temperature for ions are particularly noticeable in the magnetosheath and in the magnetotail, when the present results are compared with our previous study, which focused on "Northward-IMF" configuration.

Jet engine nozzle exit configurations, including projections oriented relative to pylons, and associated systems and methods

NASA Technical Reports Server (NTRS)

Mengle, Vinod G. (Inventor); Thomas, Russell H. (Inventor)

2012-01-01

Nozzle exit configurations and associated systems and methods are disclosed. An aircraft system in accordance with one embodiment includes a jet engine exhaust nozzle having an internal flow surface and an exit aperture, with the exit aperture having a perimeter that includes multiple projections extending in an aft direction. Aft portions of individual neighboring projections are spaced apart from each other by a gap, and a geometric feature of the multiple can change in a monotonic manner along at least a portion of the perimeter. Projections near a support pylon and/or associated heat shield can have particular configurations, including greater flow immersion than other projections.

Brownian Dynamics and Molecular Dynamics Study of the Association between Hydrogenase and Ferredoxin from Chlamydomonas reinhardtii

PubMed Central

Long, Hai; Chang, Christopher H.; King, Paul W.; Ghirardi, Maria L.; Kim, Kwiseon

2008-01-01

The [FeFe] hydrogenase from the green alga Chlamydomonas reinhardtii can catalyze the reduction of protons to hydrogen gas using electrons supplied from photosystem I and transferred via ferredoxin. To better understand the association of the hydrogenase and the ferredoxin, we have simulated the process over multiple timescales. A Brownian dynamics simulation method gave an initial thorough sampling of the rigid-body translational and rotational phase spaces, and the resulting trajectories were used to compute the occupancy and free-energy landscapes. Several important hydrogenase-ferredoxin encounter complexes were identified from this analysis, which were then individually simulated using atomistic molecular dynamics to provide more details of the hydrogenase and ferredoxin interaction. The ferredoxin appeared to form reasonable complexes with the hydrogenase in multiple orientations, some of which were good candidates for inclusion in a transition state ensemble of configurations for electron transfer. PMID:18621810

Configuration of the magnetosome chain: a natural magnetic nanoarchitecture.

PubMed

Orue, I; Marcano, L; Bender, P; García-Prieto, A; Valencia, S; Mawass, M A; Gil-Cartón, D; Alba Venero, D; Honecker, D; García-Arribas, A; Fernández Barquín, L; Muela, A; Fdez-Gubieda, M L

2018-04-26

Magnetospirillum gryphiswaldense is a microorganism with the ability to biomineralize magnetite nanoparticles, called magnetosomes, and arrange them into a chain that behaves like a magnetic compass. Rather than straight lines, magnetosome chains are slightly bent, as evidenced by electron cryotomography. Our experimental and theoretical results suggest that due to the competition between the magnetocrystalline and shape anisotropies, the effective magnetic moment of individual magnetosomes is tilted out of the [111] crystallographic easy axis of magnetite. This tilt does not affect the direction of the chain net magnetic moment, which remains along the [111] axis, but explains the arrangement of magnetosomes in helical-like shaped chains. Indeed, we demonstrate that the chain shape can be reproduced by considering an interplay between the magnetic dipolar interactions between magnetosomes, ruled by the orientation of the magnetosome magnetic moment, and a lipid/protein-based mechanism, modeled as an elastic recovery force exerted on the magnetosomes.

Technology Utilization House Study Report. [For Energy Conservation

NASA Technical Reports Server (NTRS)

1974-01-01

The objectives of Project TECH are: (1) to construct a single family detached dwelling for demonstrating the application of advanced technology and minimizing the requirement for energy and utility services, and (2) to help influence future development in home construction by defining the interaction of integrated energy and water management systems with building configuration and construction materials. Components and methods expected to be cost effective over a 20 year span were studied. Emphasis was placed on the utilization of natural heating and cooling characteristics. Orientation and location of windows, landscaping, natural ventilation, and characteristics of the local climate and microclimate were intended to be used to best advantage. Energy conserving homes are most efficient when design for specific sites, therefore project TECH should not be considered a prototype design suitable for all locations. However, it does provide ideas and analytical methods which can be applied to some degree in all housing.

Ballistic Spin Field Effect Transistor Based on Silicon Nanowires

NASA Astrophysics Data System (ADS)

Osintsev, Dmitri; Sverdlov, Viktor; Stanojevic, Zlatan; Selberherr, Siegfried

2011-03-01

We investigate the properties of ballistic spin field-effect transistors build on silicon nanowires. An accurate description of the conduction band based on the k . p} model is necessary in thin and narrow silicon nanostructures. The subband effective mass and subband splitting dependence on the nanowire dimensions is analyzed and used in the transport calculations. The spin transistor is formed by sandwiching the nanowire between two ferromagnetic metallic contacts. Delta-function barriers at the interfaces between the contacts and the silicon channel are introduced. The major contribution to the electric field-dependent spin-orbit interaction in confined silicon systems is due to the interface-induced inversion asymmetry which is of the Dresselhaus type. We study the current and conductance through the system for the contacts being in parallel and anti-parallel configurations. Differences between the [100] and [110] orientated structures are investigated in details. This work is supported by the European Research Council through the grant #247056 MOSILSPIN.

Solving Equations of Multibody Dynamics

NASA Technical Reports Server (NTRS)

Jain, Abhinandan; Lim, Christopher

2007-01-01

Darts++ is a computer program for solving the equations of motion of a multibody system or of a multibody model of a dynamic system. It is intended especially for use in dynamical simulations performed in designing and analyzing, and developing software for the control of, complex mechanical systems. Darts++ is based on the Spatial-Operator- Algebra formulation for multibody dynamics. This software reads a description of a multibody system from a model data file, then constructs and implements an efficient algorithm that solves the dynamical equations of the system. The efficiency and, hence, the computational speed is sufficient to make Darts++ suitable for use in realtime closed-loop simulations. Darts++ features an object-oriented software architecture that enables reconfiguration of system topology at run time; in contrast, in related prior software, system topology is fixed during initialization. Darts++ provides an interface to scripting languages, including Tcl and Python, that enable the user to configure and interact with simulation objects at run time.

Dynamical approach to fusion-fission process in superheavy mass region

NASA Astrophysics Data System (ADS)

Aritomo, Y.; Hinde, D. J.; Wakhle, A.; du Rietz, R.; Dasgupta, M.; Hagino, K.; Chiba, S.; Nishio, K.

2012-10-01

In order to describe heavy-ion fusion reactions around the Coulomb barrier with an actinide target nucleus, we propose a model which combines the coupled-channels approach and a fluctuation-dissipation model for dynamical calculations. This model takes into account couplings to the collective states of the interacting nuclei in the penetration of the Coulomb barrier and the subsequent dynamical evolution of a nuclear shape from the contact configuration. In the fluctuation-dissipation model with a Langevin equation, the effect of nuclear orientation at the initial impact on the prolately deformed target nucleus is considered. Fusion-fission, quasifission and deep quasifission are separated as different Langevin trajectories on the potential energy surface. Using this model, we analyze the experimental data for the mass distribution of fission fragments (MDFF) in the reaction of 36S+238U at several incident energies around the Coulomb barrier.

Modeling and Analysis of Power Processing Systems (MAPPS), initial phase 2

NASA Technical Reports Server (NTRS)

Yu, Y.; Lee, F. C.; Wangenheim, H.; Warren, D.

1977-01-01

The overall objective of the program is to provide the engineering tools to reduce the analysis, design, and development effort, and thus the cost, in achieving the required performances for switching regulators and dc-dc converter systems. The program was both tutorial and application oriented. Various analytical methods were described in detail and supplemented with examples, and those with standardization appeals were reduced into computer-based subprograms. Major program efforts included those concerning small and large signal control-dependent performance analysis and simulation, control circuit design, power circuit design and optimization, system configuration study, and system performance simulation. Techniques including discrete time domain, conventional frequency domain, Lagrange multiplier, nonlinear programming, and control design synthesis were employed in these efforts. To enhance interactive conversation between the modeling and analysis subprograms and the user, a working prototype of the Data Management Program was also developed to facilitate expansion as future subprogram capabilities increase.

Motivational predictors of prosocial and antisocial behaviour in football.

PubMed

Kavussanu, Maria

2006-06-01

This study examined (a) the main and interactive effects of goal orientations and perceived motivational climate on prosocial and antisocial behaviour, and (b) whether number of seasons one has played for the team interacts with motivational climate in predicting prosocial and antisocial behaviour in association football. Participants were 325 male association football players, whose age ranged from 12 to 17 years. Athletes completed questionnaires measuring frequency of prosocial and antisocial behaviours in football, goal orientation, motivational climate and social desirability, and indicated the number of seasons they had played for their current team. Regression analyses revealed that task orientation and mastery climate were positive predictors of prosocial behaviour, whereas ego orientation and performance climate were positive predictors of antisocial behaviour. In addition, task orientation negatively predicted antisocial behaviour, while ego orientation negatively predicted prosocial behaviour. No significant interactions between task and ego orientation and mastery and performance motivational climate were found. Finally, mastery climate negatively predicted antisocial behaviour for those who had played many seasons for the team. In conclusion, strengthening task orientation and mastery climate and weakening ego orientation may enhance prosocial behaviour. However, for antisocial conduct to be eliminated from the context of association football, ego orientation and performance climate need to be tempered, as these constructs exert unique independent effects on antisocial behaviour.

Heat Pipes Cool Power Magnetics

NASA Technical Reports Server (NTRS)

Hansen, I.; Chester, M.; Luedke, E.

1983-01-01

Configurations originally developed for space use are effective in any orientation. Heat pipes integrated into high-power, high-frequency, highvoltage spaceflight magnetics reduce weight and improve reliability by lowering internal tempertures. Two heat pipes integrated in design of power transformer cool unit in any orientation. Electrostatic shield conducts heat from windings to heat pipe evaporator. Technology allows dramatic reductions in size and weight, while significantly improving reliability. In addition, all attitude design of heat pipes allows operation of heat pipes independent of local gravity forces.

Fracture of Composite Compact Tension Specimens

DTIC Science & Technology

1975-01-01

E: lb/in.; X 10* M.: Fiber Volume, % 1002 S- glass /epoxy Unidirectional Crossply 6.9 4.7 2.3 4.7 1.0 1.1 0.28 0.14 55 MOD 1-5208...configuration used in most of the fracture experiments is shown in Fig. 1. In unidirectional S- glass /epoxy specimens the fiber direction with respect to...conducted only with 0° or 90° fiber orientation. Cross-ply specimens of both S- glass and graphite were tested with the outer plies oriented at 0°, 45

Proceedings of the 3rd International Workshop on a Research Agenda for Maintenance and Evolution of Service-Oriented Systems (MESOA 2009)

DTIC Science & Technology

2010-02-01

through software -as-a- service ( SaaS ) (Nitu 2009, Sedayao 2008). In practice, an organization’s initial SOA implementation almost never attempts to cover...004 Nitu. "Configurability in SaaS ( Software as a Service ) Applications." Proceedings of the 2nd An- nual Conference on India Software Engineering...and evolution of service -oriented systems. In 2007, the Software Engineering Institute started assembling a SOA Research Agenda based on a

Scaffolding Interaction in Parent-Child Dyads: Multimodal Analysis of Parental Scaffolding with Task and Non-Task Oriented Children

ERIC Educational Resources Information Center

Salonen, Pekka; Lepola, Janne; Vauras, Marja

2007-01-01

In this exploratory study we conceptualized and explored socio-cognitive, emotional and motivational regulatory processes displayed in scaffolding interaction between parents and their non-task and task-oriented children. Based on the dynamic systems view and findings from developmental research, we assumed that parents with non-task oriented and…

Electrostatic interactions and binding orientation of HIV-1 matrix studied by neutron reflectivity.

PubMed

Nanda, Hirsh; Datta, Siddhartha A K; Heinrich, Frank; Lösche, Mathias; Rein, Alan; Krueger, Susan; Curtis, Joseph E

2010-10-20

The N-terminal matrix (MA) domain of the HIV-1 Gag protein is responsible for binding to the plasma membrane of host cells during viral assembly. The putative membrane-binding interface of MA was previously mapped by means of mutagenesis and analysis of its trimeric crystal structure. However, the orientation of MA on membranes has not been directly determined by experimental measurements. We present neutron reflectivity measurements that resolve the one-dimensional scattering length density profile of MA bound to a biomimetic of the native viral membrane. A molecular refinement procedure was developed using atomic structures of MA to determine the orientation of the protein on the membrane. The orientation defines a lipid-binding interface consistent with previous mutagenesis results. The MA protein maintains this orientation without the presence of a myristate group, driven only by electrostatic interactions. Furthermore, MA is found to penetrate the membrane headgroup region peripherally such that only the side chains of specific Lys and Arg residues interact with the surface. The results suggest that electrostatic interactions are sufficient to favorably orient MA on viral membrane mimics. The spatial determination of the membrane-bound protein demonstrates the ability of neutron reflectivity to discern orientation and penetration under physiologically relevant conditions. Copyright © 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

OR.NET RT: how service-oriented medical device architecture meets real-time communication.

PubMed

Pfeiffer, Jonas H; Kasparick, Martin; Strathen, Benjamin; Dietz, Christian; Dingler, Max E; Lueth, Tim C; Timmermann, Dirk; Radermacher, Klaus; Golatowski, Frank

2018-02-23

Today's landscape of medical devices is dominated by stand-alone systems and proprietary interfaces lacking cross-vendor interoperability. This complicates or even impedes the innovation of novel, intelligent assistance systems relying on the collaboration of medical devices. Emerging approaches use the service-oriented architecture (SOA) paradigm based on Internet protocol (IP) to enable communication between medical devices. While this works well for scenarios with no or only soft timing constraints, the underlying best-effort communication scheme is insufficient for time critical data. Real-time (RT) networks are able to reliably guarantee fixed latency boundaries, for example, by using time division multiple access (TDMA) communication patterns. However, deterministic RT networks come with their own limitations such as tedious, inflexible configuration and a more restricted bandwidth allocation. In this contribution we overcome the drawbacks of both approaches by describing and implementing mechanisms that allow the two networks to interact. We introduce the first implementation of a medical device network that offers hard RT guarantees for control and sensor data and integrates into SOA networks. Based on two application examples we show how the flexibility of SOA networks and the reliability of RT networks can be combined to achieve an open network infrastructure for medical devices in the operating room (OR).

Numerical Analysis of Temperature Gradients and Interface Shape During Directional Solidification of Al and Al-Cu Alloy Under Microgravity Conditions

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Sen, Subhayu; Mukherjee, Sundeep; Catalina, Adrian; Stefanescu, Doru M.

1999-01-01

Numerical modeling was undertaken to analyze the influence of radial thermal gradient on solid/liquid (s/1) interface shape and convection patterns during solidification of pure Al and Al-4 wt% Cu alloy. The objective of the numerical task was to predict the influence of convective velocity on an insoluble particle near a s/l interface. These predictions would then be used to define the minimum gravity level (g) required to investigate the fundamental physics of interaction between a particle and a s/I interface. To satisfy this objective, steady state calculations were performed for different gravity levels and orientations with the gravity vector. ne furnace configuration used in this analysis is the proposed International Space Station Furnace, Quench Module Insert (QMI) 1. Results from a thermal model of the furnace core were used as initial boundary conditions for solidification modeling. General model of binary alloy solidification was based on the finite element code FIDAP. It was found that for the worst case orientation of 90 degrees with the gravity vector and a g level of 10(exp -4)g(sub o) (g(sub o) = 9.8 m/s(exp 2)) the dominant forces acting on the particle would be the fundamental drag and interfacial forces.

A Comparative Study of a 1/4-Scale Gulfstream G550 Aircraft Nose Gear Model

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Neuhart, Dan H.; Zawodny, Nikolas S.; Liu, Fei; Yardibi, Tarik; Cattafesta, Louis; Van de Ven, Thomas

2009-01-01

A series of fluid dynamic and aeroacoustic wind tunnel experiments are performed at the University of Florida Aeroacoustic Flow Facility and the NASA-Langley Basic Aerodynamic Research Tunnel Facility on a high-fidelity -scale model of Gulfstream G550 aircraft nose gear. The primary objectives of this study are to obtain a comprehensive aeroacoustic dataset for a nose landing gear and to provide a clearer understanding of landing gear contributions to overall airframe noise of commercial aircraft during landing configurations. Data measurement and analysis consist of mean and fluctuating model surface pressure, noise source localization maps using a large-aperture microphone directional array, and the determination of far field noise level spectra using a linear array of free field microphones. A total of 24 test runs are performed, consisting of four model assembly configurations, each of which is subjected to three test section speeds, in two different test section orientations. The different model assembly configurations vary in complexity from a fully-dressed to a partially-dressed geometry. The two model orientations provide flyover and sideline views from the perspective of a phased acoustic array for noise source localization via beamforming. Results show that the torque arm section of the model exhibits the highest rms pressures for all model configurations, which is also evidenced in the sideline view noise source maps for the partially-dressed model geometries. Analysis of acoustic spectra data from the linear array microphones shows a slight decrease in sound pressure levels at mid to high frequencies for the partially-dressed cavity open model configuration. In addition, far field sound pressure level spectra scale approximately with the 6th power of velocity and do not exhibit traditional Strouhal number scaling behavior.

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

Reister, D.B.; Pin, F.G.

This paper addresses the problem of time-optional motions for a mobile platform in a planar environment. The platform has two non-steerable independently driven wheels. The overall mission of the robot is expressed in terms of a sequence of via points at which the platform must be at rest in a given configuration (position and orientation). The objective is to plan time-optimal trajectories between these configurations assuming an unobstructed environment. Using Pontryagin's maximum principle (PMP), we formally demonstrate that all time optimal motions of the platform for this problem occur for bang-bang controls on the wheels (at each instant, the accelerationmore » on each wheel is either at its upper or lower limit). The PMP, however, only provides necessary conditions for time optimality. To find the time optimal robot trajectories, we first parameterize the bang-bang trajectories using the switch times on the wheels (the times at which the wheel accelerations change sign). With this parameterization, we can fully search the robot trajectory space and find the switch times that will produce particular paths to a desired final configuration of the platform. We show numerically that robot trajectories with three switch times (two on one wheel, one on the other) can reach any position, while trajectories with four switch times can reach any configuration. By numerical comparison with other trajectories involving similar or greater numbers of switch times, we then identify the sets of time-optimal trajectories. These are uniquely defined using ranges of the parameters, and consist of subsets of trajectories with three switch times for the problem when the final orientation of the robot is not specified, and four switch times when a full final configuration is specified. We conclude with a description of the use of the method for trajectory planning for one of our robots.« less

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

Reister, D.B.; Pin, F.G.

This paper addresses the problem of time-optional motions for a mobile platform in a planar environment. The platform has two non-steerable independently driven wheels. The overall mission of the robot is expressed in terms of a sequence of via points at which the platform must be at rest in a given configuration (position and orientation). The objective is to plan time-optimal trajectories between these configurations assuming an unobstructed environment. Using Pontryagin`s maximum principle (PMP), we formally demonstrate that all time optimal motions of the platform for this problem occur for bang-bang controls on the wheels (at each instant, the accelerationmore » on each wheel is either at its upper or lower limit). The PMP, however, only provides necessary conditions for time optimality. To find the time optimal robot trajectories, we first parameterize the bang-bang trajectories using the switch times on the wheels (the times at which the wheel accelerations change sign). With this parameterization, we can fully search the robot trajectory space and find the switch times that will produce particular paths to a desired final configuration of the platform. We show numerically that robot trajectories with three switch times (two on one wheel, one on the other) can reach any position, while trajectories with four switch times can reach any configuration. By numerical comparison with other trajectories involving similar or greater numbers of switch times, we then identify the sets of time-optimal trajectories. These are uniquely defined using ranges of the parameters, and consist of subsets of trajectories with three switch times for the problem when the final orientation of the robot is not specified, and four switch times when a full final configuration is specified. We conclude with a description of the use of the method for trajectory planning for one of our robots.« less

System Oriented Runway Management: A Research Update

NASA Technical Reports Server (NTRS)

Lohr, Gary W.; Brown, Sherilyn A.; Stough, Harry P., III; Eisenhawer, Steve; Atkins, Stephen; Long, Dou

2011-01-01

The runway configuration used by an airport has significant implications with respect to its capacity and ability to effectively manage surface and airborne traffic. Aircraft operators rely on runway configuration information because it can significantly affect an airline's operations and planning of their resources. Current practices in runway management are limited by a relatively short time horizon for reliable weather information and little assistance from automation. Wind velocity is the primary consideration when selecting a runway configuration; however when winds are below a defined threshold, discretion may be used to determine the configuration. Other considerations relevant to runway configuration selection include airport operator constraints, weather conditions (other than winds) traffic demand, user preferences, surface congestion, and navigational system outages. The future offers an increasingly complex landscape for the runway management process. Concepts and technologies that hold the potential for capacity and efficiency increases for both operations on the airport surface and in terminal and enroute airspace are currently under investigation. Complementary advances in runway management are required if capacity and efficiency increases in those areas are to be realized. The System Oriented Runway Management (SORM) concept has been developed to address this critical part of the traffic flow process. The SORM concept was developed to address all aspects of runway management for airports of varying sizes and to accommodate a myriad of traffic mixes. SORM, to date, addresses the single airport environment; however, the longer term vision is to incorporate capabilities for multiple airport (Metroplex) operations as well as to accommodate advances in capabilities resulting from ongoing research. This paper provides an update of research supporting the SORM concept including the following: a concept of overview, results of a TRCM simulation, single airport and Metroplex modeling effort and a benefits assessment.

Development of attention networks and their interactions in childhood.

PubMed

Pozuelos, Joan P; Paz-Alonso, Pedro M; Castillo, Alejandro; Fuentes, Luis J; Rueda, M Rosario

2014-10-01

In the present study, we investigated developmental trajectories of alerting, orienting, and executive attention networks and their interactions over childhood. Two cross-sectional experiments were conducted with different samples of 6- to 12-year-old children using modified versions of the attention network task (ANT). In Experiment 1 (N = 106), alerting and orienting cues were independently manipulated, thus allowing examination of interactions between these 2 networks, as well as between them and the executive attention network. In Experiment 2 (N = 159), additional changes were made to the task in order to foster exogenous orienting cues. Results from both studies consistently revealed separate developmental trajectories for each attention network. Children younger than 7 years exhibited stronger benefits from having an alerting auditory signal prior to the target presentation. Developmental changes in orienting were mostly observed on response accuracy between middle and late childhood, whereas executive attention showed increases in efficiency between 7 years and older ages, and further improvements in late childhood. Of importance, across both experiments, significant interactions between alerting and orienting, as well as between each of these and the executive attention network, were observed. Alerting cues led to speeding shifts of attention and enhancing orienting processes. Also, both alerting and orienting cues modulated the magnitude of the flanker interference effect. These findings inform current theoretical models of human attention and its development, characterizing for the first time, the age-related course of attention networks interactions that, present in adults, stem from further refinements over childhood.

Reconstruction of interatomic vectors by principle component analysis of nuclear magnetic resonance data in multiple alignments

NASA Astrophysics Data System (ADS)

Hus, Jean-Christophe; Bruschweiler, Rafael

2002-07-01

A general method is presented for the reconstruction of interatomic vector orientations from nuclear magnetic resonance (NMR) spectroscopic data of tensor interactions of rank 2, such as dipolar coupling and chemical shielding anisotropy interactions, in solids and partially aligned liquid-state systems. The method, called PRIMA, is based on a principal component analysis of the covariance matrix of the NMR parameters collected for multiple alignments. The five nonzero eigenvalues and their eigenvectors efficiently allow the approximate reconstruction of the vector orientations of the underlying interactions. The method is demonstrated for an isotropic distribution of sample orientations as well as for finite sets of orientations and internuclear vectors encountered in protein systems.

Activity Recognition Invariant to Sensor Orientation with Wearable Motion Sensors.

PubMed

Yurtman, Aras; Barshan, Billur

2017-08-09

Most activity recognition studies that employ wearable sensors assume that the sensors are attached at pre-determined positions and orientations that do not change over time. Since this is not the case in practice, it is of interest to develop wearable systems that operate invariantly to sensor position and orientation. We focus on invariance to sensor orientation and develop two alternative transformations to remove the effect of absolute sensor orientation from the raw sensor data. We test the proposed methodology in activity recognition with four state-of-the-art classifiers using five publicly available datasets containing various types of human activities acquired by different sensor configurations. While the ordinary activity recognition system cannot handle incorrectly oriented sensors, the proposed transformations allow the sensors to be worn at any orientation at a given position on the body, and achieve nearly the same activity recognition performance as the ordinary system for which the sensor units are not rotatable. The proposed techniques can be applied to existing wearable systems without much effort, by simply transforming the time-domain sensor data at the pre-processing stage.

Probing the impact of magnetic interactions on the lattice dynamics of two-dimensional Ti2X (X = C, N) MXenes.

PubMed

Sternik, Małgorzata; Wdowik, Urszula D

2018-03-14

Dynamical properties of the two-dimensional Ti 2 C and Ti 2 N MXenes were investigated using density functional theory and discussed in connection with their structures and electronic properties. To elucidate the influence of magnetic interactions on the fundamental properties of these systems, the nonmagnetic, ferromagnetic and three distinct antiferromagnetic spin arrangements on titanium sublattice were considered. Each magnetic configuration was also studied at two directions of the spin magnetic moment with respect to the MXene layer. The zero-point energy motion, following from the phonon calculations, was taken into account while analyzing the energetic stability of the magnetic phases against the nonmagnetic solution. This contribution was found not to change a sequence of the energetic stability of the considered magnetic structures of Ti 2 X (X = C, N) MXenes. Both Ti 2 X (X = C, N) systems are shown to prefer antiferromagnetic arrangement of spins between Ti layers and the ferromagnetic order within each layer. This energetically privileged phase is semiconducting for Ti 2 C and metallic for Ti 2 N. The type of magnetic order as well as the in-plane or out-of-plane spin polarizations have a relatively small impact on the structural parameters, Ti-X bonding length, force constants and phonon spectra of both Ti 2 X systems, leading to observable differences only between the nonmagnetic and any other magnetic configurations. Nonetheless, a noticeable effect of the spin orientation on degeneracy of the Ti-3d orbitals is encountered. The magnetic interactions affect to a great extent the positions and intensities of the Raman-active modes, and hence one could exploit this effect for experimental verification of the theoretically predicted magnetic state of Ti 2 X monolayers. Theoretical phonon spectra of Ti 2 X (X = C, N) MXenes exhibit a linear dependence on energy in the long-wavelength limit, which is typical for a 2D system.

Prediction of protein orientation upon immobilization on biological and nonbiological surfaces

NASA Astrophysics Data System (ADS)

Talasaz, Amirali H.; Nemat-Gorgani, Mohsen; Liu, Yang; Ståhl, Patrik; Dutton, Robert W.; Ronaghi, Mostafa; Davis, Ronald W.

2006-10-01

We report on a rapid simulation method for predicting protein orientation on a surface based on electrostatic interactions. New methods for predicting protein immobilization are needed because of the increasing use of biosensors and protein microarrays, two technologies that use protein immobilization onto a solid support, and because the orientation of an immobilized protein is important for its function. The proposed simulation model is based on the premise that the protein interacts with the electric field generated by the surface, and this interaction defines the orientation of attachment. Results of this model are in agreement with experimental observations of immobilization of mitochondrial creatine kinase and type I hexokinase on biological membranes. The advantages of our method are that it can be applied to any protein with a known structure; it does not require modeling of the surface at atomic resolution and can be run relatively quickly on readily available computing resources. Finally, we also propose an orientation of membrane-bound cytochrome c, a protein for which the membrane orientation has not been unequivocally determined. electric double layer | electrostatic simulations | orientation flexibility

Cluster-collision frequency. I. The long-range intercluster potential

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

Amadon, A.S.; Marlow, W.H.

1991-05-15

In recent years, gas-borne atomic and molecular clusters have emerged as subjects of basic physical and chemical interest and are gaining recognition for their importance in numerous applications. To calculate the evolution of the mass distribution of these clusters, their thermal collision rates are required. For computing these collision rates, the long-range interaction energy between clusters is required and is the subject of this paper. Utilizing a formulation of the iterated van der Waals interaction over discrete molecules that can be shown to converge with increasing numbers of atoms to the Lifshitz--van der Waals interaction for condensed matter, we calculatemore » the interaction energy as a function of center-of-mass separation for identical pairs of clusters of 13, 33, and 55 molecules of carbon tetrachloride in icosahedral and dodecahedral configurations. Two different relative orientations are chosen for each pair of clusters, and the energies are compared with energies calculated from the standard formula for continuum matter derived by summing over pair interactions with the Hamaker constant calculated according to Lifshitz theory. The results of these calculations give long-range interaction energies that assume typical adhesion-type values at cluster contact, unlike the unbounded results for the Lifshitz-Hamaker model. The relative difference between the discrete molecular energies and the continuum energies vanishes for {ital r}{sup *}{approx}2, where {ital r}{sup *} is the center-of-mass separation distance in units of cluster diameter. For larger separations, the relative difference changes sign, showing a value of approximately 15%, with the difference diminishing for increasing-sized clusters.« less

Numerical modeling of crystal growth on a centrifuge for unstable natural convection configurations

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Downey, J. P.; Curreri, P. A.; Jones, J. C.

1993-01-01

The fluid mechanics associated with crystal growth processes on centrifuges is modeled using 2D and 3D models. Two-dimensional calculations show that flow bifurcations exist in such crystal growth configurations where the ampoule is oriented in the same direction as the resultant gravity vector and a temperature gradient is imposed on the melt. A scaling analysis is formulated to predict the flow transition point from the natural convection dominated regime to the Coriolis force dominated regime. Results of 3D calculations are presented for two thermal configurations of the crystal growth cell: top heated and bottom heated with respect to the centrifugal acceleration. In the top heated configuration, a substantial reduction in the convection intensity within the melt can be attained by centrifuge operations, and close to steady diffusion-limited thermal conditions can be achieved over a narrow range of the imposed microgravity level. In the bottom heated configuration the Coriolis force has a stabilizing effect on fluid motion by delaying the onset of unsteady convection.

Thunderstorm-scale variations of echoes associated with left-turn tornado families

NASA Technical Reports Server (NTRS)

Forbes, G. S.

1977-01-01

The origin of tornadoes is studied on the basis of changing radar echo shapes and tornado location relative to the echoes. Three types of tornadoes appear to be associated with different hook echo configurations. No-turn or right-turn tornadoes are linked to a steady hook which does not change shape or orientation. Left-turn tornado families are generated in cases where the hook is unsteady and changes orientation at each successive tornado birth. Finally, left-turn tornado families may also be formed when the hook undergoes no orientation change and the tornadoes move along the rear of the hook. The correlation between a thunderstorm-scale cycle and periodic tornado production is also discussed.

NuMA-microtubule interactions are critical for spindle orientation and the morphogenesis of diverse epidermal structures

PubMed Central

Seldin, Lindsey; Muroyama, Andrew; Lechler, Terry

2016-01-01

Mitotic spindle orientation is used to generate cell fate diversity and drive proper tissue morphogenesis. A complex of NuMA and dynein/dynactin is required for robust spindle orientation in a number of cell types. Previous research proposed that cortical dynein/dynactin was sufficient to generate forces on astral microtubules (MTs) to orient the spindle, with NuMA acting as a passive tether. In this study, we demonstrate that dynein/dynactin is insufficient for spindle orientation establishment in keratinocytes and that NuMA’s MT-binding domain, which targets MT tips, is also required. Loss of NuMA-MT interactions in skin caused defects in spindle orientation and epidermal differentiation, leading to neonatal lethality. In addition, we show that NuMA-MT interactions are also required in adult mice for hair follicle morphogenesis and spindle orientation within the transit-amplifying cells of the matrix. Loss of spindle orientation in matrix cells results in defective differentiation of matrix-derived lineages. Our results reveal an additional and direct function of NuMA during mitotic spindle positioning, as well as a reiterative use of spindle orientation in the skin to build diverse structures. DOI: http://dx.doi.org/10.7554/eLife.12504.001 PMID:26765568

Orientation of airborne laser scanning point clouds with multi-view, multi-scale image blocks.

PubMed

Rönnholm, Petri; Hyyppä, Hannu; Hyyppä, Juha; Haggrén, Henrik

2009-01-01

Comprehensive 3D modeling of our environment requires integration of terrestrial and airborne data, which is collected, preferably, using laser scanning and photogrammetric methods. However, integration of these multi-source data requires accurate relative orientations. In this article, two methods for solving relative orientation problems are presented. The first method includes registration by minimizing the distances between of an airborne laser point cloud and a 3D model. The 3D model was derived from photogrammetric measurements and terrestrial laser scanning points. The first method was used as a reference and for validation. Having completed registration in the object space, the relative orientation between images and laser point cloud is known. The second method utilizes an interactive orientation method between a multi-scale image block and a laser point cloud. The multi-scale image block includes both aerial and terrestrial images. Experiments with the multi-scale image block revealed that the accuracy of a relative orientation increased when more images were included in the block. The orientations of the first and second methods were compared. The comparison showed that correct rotations were the most difficult to detect accurately by using the interactive method. Because the interactive method forces laser scanning data to fit with the images, inaccurate rotations cause corresponding shifts to image positions. However, in a test case, in which the orientation differences included only shifts, the interactive method could solve the relative orientation of an aerial image and airborne laser scanning data repeatedly within a couple of centimeters.

Orientation of Airborne Laser Scanning Point Clouds with Multi-View, Multi-Scale Image Blocks

PubMed Central

Rönnholm, Petri; Hyyppä, Hannu; Hyyppä, Juha; Haggrén, Henrik

2009-01-01

Comprehensive 3D modeling of our environment requires integration of terrestrial and airborne data, which is collected, preferably, using laser scanning and photogrammetric methods. However, integration of these multi-source data requires accurate relative orientations. In this article, two methods for solving relative orientation problems are presented. The first method includes registration by minimizing the distances between of an airborne laser point cloud and a 3D model. The 3D model was derived from photogrammetric measurements and terrestrial laser scanning points. The first method was used as a reference and for validation. Having completed registration in the object space, the relative orientation between images and laser point cloud is known. The second method utilizes an interactive orientation method between a multi-scale image block and a laser point cloud. The multi-scale image block includes both aerial and terrestrial images. Experiments with the multi-scale image block revealed that the accuracy of a relative orientation increased when more images were included in the block. The orientations of the first and second methods were compared. The comparison showed that correct rotations were the most difficult to detect accurately by using the interactive method. Because the interactive method forces laser scanning data to fit with the images, inaccurate rotations cause corresponding shifts to image positions. However, in a test case, in which the orientation differences included only shifts, the interactive method could solve the relative orientation of an aerial image and airborne laser scanning data repeatedly within a couple of centimeters. PMID:22454569

Interaction mining and skill-dependent recommendations for multi-objective team composition

PubMed Central

Dorn, Christoph; Skopik, Florian; Schall, Daniel; Dustdar, Schahram

2011-01-01

Web-based collaboration and virtual environments supported by various Web 2.0 concepts enable the application of numerous monitoring, mining and analysis tools to study human interactions and team formation processes. The composition of an effective team requires a balance between adequate skill fulfillment and sufficient team connectivity. The underlying interaction structure reflects social behavior and relations of individuals and determines to a large degree how well people can be expected to collaborate. In this paper we address an extended team formation problem that does not only require direct interactions to determine team connectivity but additionally uses implicit recommendations of collaboration partners to support even sparsely connected networks. We provide two heuristics based on Genetic Algorithms and Simulated Annealing for discovering efficient team configurations that yield the best trade-off between skill coverage and team connectivity. Our self-adjusting mechanism aims to discover the best combination of direct interactions and recommendations when deriving connectivity. We evaluate our approach based on multiple configurations of a simulated collaboration network that features close resemblance to real world expert networks. We demonstrate that our algorithm successfully identifies efficient team configurations even when removing up to 40% of experts from various social network configurations. PMID:22298939

Hydrophobicity within the three-dimensional Mercedes-Benz model: potential of mean force.

PubMed

Dias, Cristiano L; Hynninen, Teemu; Ala-Nissila, Tapio; Foster, Adam S; Karttunen, Mikko

2011-02-14

We use the three-dimensional Mercedes-Benz model for water and Monte Carlo simulations to study the structure and thermodynamics of the hydrophobic interaction. Radial distribution functions are used to classify different cases of the interaction, namely, contact configurations, solvent separated configurations, and desolvation configurations. The temperature dependence of these cases is shown to be in qualitative agreement with atomistic models of water. In particular, while the energy for the formation of contact configurations is favored by entropy, its strengthening with increasing temperature is accounted for by enthalpy. This is consistent with our simulated heat capacity. An important feature of the model is that it can be used to account for well-converged thermodynamics quantities, e.g., the heat capacity of transfer. Microscopic mechanisms for the temperature dependence of the hydrophobic interaction are discussed at the molecular level based on the conceptual simplicity of the model.

Hydrophobicity within the three-dimensional Mercedes-Benz model: Potential of mean force

NASA Astrophysics Data System (ADS)

Dias, Cristiano L.; Hynninen, Teemu; Ala-Nissila, Tapio; Foster, Adam S.; Karttunen, Mikko

2011-02-01

We use the three-dimensional Mercedes-Benz model for water and Monte Carlo simulations to study the structure and thermodynamics of the hydrophobic interaction. Radial distribution functions are used to classify different cases of the interaction, namely, contact configurations, solvent separated configurations, and desolvation configurations. The temperature dependence of these cases is shown to be in qualitative agreement with atomistic models of water. In particular, while the energy for the formation of contact configurations is favored by entropy, its strengthening with increasing temperature is accounted for by enthalpy. This is consistent with our simulated heat capacity. An important feature of the model is that it can be used to account for well-converged thermodynamics quantities, e.g., the heat capacity of transfer. Microscopic mechanisms for the temperature dependence of the hydrophobic interaction are discussed at the molecular level based on the conceptual simplicity of the model.

Cleavage in conical sand dollar eggs.

PubMed

Rappaport, R; Rappaport, B N

1994-07-01

Previous experiments have shown that the mitotic apparatus and the surface can interact and produce functional furrows in various unusual geometrical circumstances. The consistent development of the furrow in the plane equidistant from the aster centers has led to conjecture about the need for a special structural configuration of the subsurface in the future cleavage plane. In most experiments involving altered cell geometry, the relation between each aster and nearby surface was symmetrical, and the effect of that symmetry upon the position and orientation of the cleavage mechanism in the cortex has not been systematically analyzed. The normal symmetry of sand dollar eggs can be changed by reshaping them into cones. When the cone and mitotic axes are parallel, the aster center closer to the vertex is also closer to the nearby surface, and the cleavage plane develops on the vertex side of the midpoint between the asters. A mitotic apparatus oriented perpendicular to the cone axis produces in the base of the cone a normal unilateral furrow that advances toward the vertex, and a second contractile band that isolates the vertex region. This event only occurs when the surface is conical and the mitotic apparatus is perpendicular to the cone axis. Furrow formation is not restricted to the plane of the metaphase plate or the midpoint between the aster centers. The orientation of mitotic apparatus-produced contractile bands is not limited to the circumstances in normal cytokinesis, but may vary according to surface contour. These results confirm predictions of the Harris and Gewalt model of contractile ring induction.

The Effect of Microgravity on the Growth of Lead Tin Telluride

NASA Technical Reports Server (NTRS)

Narayanan, R.

2000-01-01

The main objective of this research was to present a model for the prediction of the effect of the microgravity environment on the growth of Lead Tin Telluride. The attitude change and its relation to the experimental objectives: The main objective for the AADSF experiment on USMP 3 involving LTT growth was to estimate the effect of ampoule orientation on the axial and radial segregation of tin telluride. As the furnace was not situated on a gimbal there was no possibility to reorient the ampoule during the flight. Instead the only way to change the growth orientation was to change the attitude of the orbiter. This was accomplished by vernier rocket firings. In what follows it must be noted that the orbiter body coordinates are such that the positive z axis points outward from the 'belly', the positive 'x' axis points outwards from the nose and the positive 'y' axis points outwards from the starboard side. The furnace which was in the pay load had its axis aligned with the orbiter's 'z' axis with the hot end closest to the shuttle body. There were basically three orientations that were desired. These corresponded to the ampoule being seen as a heated from above (thermally stable-solutally unstable) configuration, the heated from below (where the instabilities were reversed from the first orientation) configuration and an 'in between' case where the ampoule axis was misaligned with respect to the orbiters 'g(sub z)' axis.

Numerical prediction of fiber orientation in injection-molded short-fiber/thermoplastic composite parts with experimental validation

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

Thi, Thanh Binh Nguyen; Morioka, Mizuki; Yokoyama, Atsushi

Numerical prediction of the fiber orientation in the short-glass fiber (GF) reinforced polyamide 6 (PA6) composites with the fiber weight concentration of 30%, 50%, and 70% manufactured by the injection molding process is presented. And the fiber orientation was also directly observed and measured through X-ray computed tomography. During the injection molding process of the short-fiber/thermoplastic composite, the fiber orientation is produced by the flow states and the fiber-fiber interaction. Folgar and Tucker equation is the well known for modeling the fiber orientation in a concentrated suspension. They included into Jeffrey’s equation a diffusive type of term by introducing amore » phenomenological coefficient to account for the fiber-fiber interaction. Our developed model for the fiber-fiber interaction was proposed by modifying the rotary diffusion term of the Folgar-Tucker equation. This model was presented in a conference paper of the 29{sup th} International Conference of the Polymer Processing Society published by AIP conference proceeding. For modeling fiber interaction, the fiber dynamic simulation was introduced in order to obtain a global fiber interaction coefficient, which is sum function of the fiber concentration, aspect ratio, and angular velocity. The fiber orientation is predicted by using the proposed fiber interaction model incorporated into a computer aided engineering simulation package C-Mold. An experimental program has been carried out in which the fiber orientation distribution has been measured in 100 x 100 x 2 mm injection-molded plate and 100 x 80 x 2 mm injection-molded weld by analyzed with a high resolution 3D X-ray computed tomography system XVA-160α, and calculated by X-ray computed tomography imaging. The numerical prediction shows a good agreement with experimental validation. And the complex fiber orientation in the injection-molded weld was investigated.« less

Numerical prediction of fiber orientation in injection-molded short-fiber/thermoplastic composite parts with experimental validation

NASA Astrophysics Data System (ADS)

Thi, Thanh Binh Nguyen; Morioka, Mizuki; Yokoyama, Atsushi; Hamanaka, Senji; Yamashita, Katsuhisa; Nonomura, Chisato

2015-05-01

Numerical prediction of the fiber orientation in the short-glass fiber (GF) reinforced polyamide 6 (PA6) composites with the fiber weight concentration of 30%, 50%, and 70% manufactured by the injection molding process is presented. And the fiber orientation was also directly observed and measured through X-ray computed tomography. During the injection molding process of the short-fiber/thermoplastic composite, the fiber orientation is produced by the flow states and the fiber-fiber interaction. Folgar and Tucker equation is the well known for modeling the fiber orientation in a concentrated suspension. They included into Jeffrey's equation a diffusive type of term by introducing a phenomenological coefficient to account for the fiber-fiber interaction. Our developed model for the fiber-fiber interaction was proposed by modifying the rotary diffusion term of the Folgar-Tucker equation. This model was presented in a conference paper of the 29th International Conference of the Polymer Processing Society published by AIP conference proceeding. For modeling fiber interaction, the fiber dynamic simulation was introduced in order to obtain a global fiber interaction coefficient, which is sum function of the fiber concentration, aspect ratio, and angular velocity. The fiber orientation is predicted by using the proposed fiber interaction model incorporated into a computer aided engineering simulation package C-Mold. An experimental program has been carried out in which the fiber orientation distribution has been measured in 100 x 100 x 2 mm injection-molded plate and 100 x 80 x 2 mm injection-molded weld by analyzed with a high resolution 3D X-ray computed tomography system XVA-160α, and calculated by X-ray computed tomography imaging. The numerical prediction shows a good agreement with experimental validation. And the complex fiber orientation in the injection-molded weld was investigated.

Orientation of liquid crystalline blue phases on unidirectionally orienting surfaces

NASA Astrophysics Data System (ADS)

Takahashi, Misaki; Ohkawa, Takuma; Yoshida, Hiroyuki; Fukuda, Jun-ichi; Kikuchi, Hirostugu; Ozaki, Masanori

2018-03-01

Liquid crystalline cholesteric blue phases (BPs) continue to attract interest due to their fast response times and quasi-polarization-independent phase modulation capabilities. Various approaches have recently been proposed to control the crystal orientation of BPs on substrates; however, their basic orientation properties on standard, unidirectionally orienting alignment layers have not been investigated in detail. Through analysis of the azimuthal orientation of Kossel diagrams, we study the 3D crystal orientation of a BP material—with a phase sequence of cholesteric, BP I, and BP II—on unidirectionally orienting surfaces prepared using two methods: rubbing and photoalignment. BP II grown from the isotropic phase is sensitive to surface conditions, with different crystal planes orienting on the two substrates. On the other hand, strong thermal hysteresis is observed in BPs grown through a different liquid crystal phase, implying that the preceding structure determines the orientation. More specifically, the BP II-I transition is accompanied by a rotation of the crystal such that the crystal direction defined by certain low-value Miller indices transform into different directions, and within the allowed rotations, different azimuthal configurations are obtained in the same cell depending on the thermal process. Our findings demonstrate that, for the alignment control of BPs, the thermal process is as important as the properties of the alignment layer.

Asymmetric van der Waals Forces Drive Orientation of Compositionally Anisotropic Nanocylinders within Smectic Arrays: Experiment and Simulation

PubMed Central

Smith, Benjamin D.; Fichthorn, Kristen A.; Kirby, David J.; Quimby, Lisa M.; Triplett, Derek A.; González, Pedro; Hernández, Darimar; Keating, Christine D.

2014-01-01

Understanding how micro- and nanoparticles interact is important for achieving bottom-up assembly of desired structures. Here, we examine the self-assembly of two-component, compositionally asymmetric nanocylinders that sediment from solution onto a solid surface. These particles spontaneously formed smectic arrays. Within the rows of an array, nanocylinders tended to assemble such that neighboring particles had the same orientation of their segments. As a probe of interparticle interactions, we classified nanocylinder alignments by measuring the segment orientations of many sets of neighboring particles. Monte Carlo simulations incorporating an exact expression for the van der Waals (vdW) energy indicate that differences in the vdW interactions, even when small, are the key factor in producing observed segment alignment. These results point to asymmetrical vdW interactions as a potentially powerful means of controlling orientation in multicomponent cylinder arrays, and suggest that designing for these interactions could yield new ways to control self-assembly. PMID:24308771

Medical students' learning orientation regarding interracial interactions affects preparedness to care for minority patients: a report from Medical Student CHANGES.

PubMed

Burgess, Diana J; Burke, Sara E; Cunningham, Brooke A; Dovidio, John F; Hardeman, Rachel R; Hou, Yuefeng; Nelson, David B; Perry, Sylvia P; Phelan, Sean M; Yeazel, Mark W; van Ryn, Michelle

2016-09-29

There is a paucity of evidence on how to train medical students to provide equitable, high quality care to racial and ethnic minority patients. We test the hypothesis that medical schools' ability to foster a learning orientation toward interracial interactions (i.e., that students can improve their ability to successfully interact with people of another race and learn from their mistakes), will contribute to white medical students' readiness to care for racial minority patients. We then test the hypothesis that white medical students who perceive their medical school environment as supporting a learning orientation will benefit more from disparities training. Prospective observational study involving web-based questionnaires administered during first (2010) and last (2014) semesters of medical school to 2394 white medical students from a stratified, random sample of 49 U.S. medical schools. Analysis used data from students' last semester to build mixed effects hierarchical models in order to assess the effects of medical school interracial learning orientation, calculated at both the school and individual (student) level, on key dependent measures. School differences in learning orientation explained part of the school difference in readiness to care for minority patients. However, individual differences in learning orientation accounted for individual differences in readiness, even after controlling for school-level learning orientation. Individual differences in learning orientation significantly moderated the effect of disparities training on white students' readiness to care for minority patients. Specifically, white medical students who perceived a high level of learning orientation in their medical schools regarding interracial interactions benefited more from training to address disparities. Coursework aimed at reducing healthcare disparities and improving the care of racial minority patients was only effective when white medical students perceived their school as having a learning orientation toward interracial interactions. Results suggest that medical school faculty should present interracial encounters as opportunities to practice skills shown to reduce bias, and faculty and students should be encouraged to learn from one another about mistakes in interracial encounters. Future research should explore aspects of the medical school environment that contribute to an interracial learning orientation.

Sacroiliac joint stability: Finite element analysis of implant number, orientation, and superior implant length.

PubMed

Lindsey, Derek P; Kiapour, Ali; Yerby, Scott A; Goel, Vijay K

2018-03-18

To analyze how various implants placement variables affect sacroiliac (SI) joint range of motion. An experimentally validated finite element model of the lumbar spine and pelvis was used to simulate a fusion of the SI joint using various placement configurations of triangular implants (iFuse Implant System ® ). Placement configurations were varied by changing implant orientation, superior implant length, and number of implants. The range of motion of the SI joint was calculated using a constant moment of 10 N-m with a follower load of 400 N. The changes in motion were compared between the treatment groups to assess how the different variables affected the overall motion of the SI joint. Transarticular placement of 3 implants with superior implants that end in the middle of the sacrum resulted in the greatest reduction in range of motion (flexion/extension = 73%, lateral bending = 42%, axial rotation = 72%). The range of motions of the SI joints were reduced with use of transarticular orientation (9%-18%) when compared with an inline orientation. The use of a superior implant that ended mid-sacrum resulted in median reductions of (8%-14%) when compared with a superior implant that ended in the middle of the ala. Reducing the number of implants, resulted in increased SI joint range of motions for the 1 and 2 implant models of 29%-133% and 2%-39%, respectively, when compared with the 3 implant model. Using a validated finite element model we demonstrated that placement of 3 implants across the SI joint using a transarticular orientation with superior implant reaching the sacral midline resulted in the most stable construct. Additional clinical studies may be required to confirm these results.

Sacroiliac joint stability: Finite element analysis of implant number, orientation, and superior implant length

PubMed Central

Lindsey, Derek P; Kiapour, Ali; Yerby, Scott A; Goel, Vijay K

2018-01-01

AIM To analyze how various implants placement variables affect sacroiliac (SI) joint range of motion. METHODS An experimentally validated finite element model of the lumbar spine and pelvis was used to simulate a fusion of the SI joint using various placement configurations of triangular implants (iFuse Implant System®). Placement configurations were varied by changing implant orientation, superior implant length, and number of implants. The range of motion of the SI joint was calculated using a constant moment of 10 N-m with a follower load of 400 N. The changes in motion were compared between the treatment groups to assess how the different variables affected the overall motion of the SI joint. RESULTS Transarticular placement of 3 implants with superior implants that end in the middle of the sacrum resulted in the greatest reduction in range of motion (flexion/extension = 73%, lateral bending = 42%, axial rotation = 72%). The range of motions of the SI joints were reduced with use of transarticular orientation (9%-18%) when compared with an inline orientation. The use of a superior implant that ended mid-sacrum resulted in median reductions of (8%-14%) when compared with a superior implant that ended in the middle of the ala. Reducing the number of implants, resulted in increased SI joint range of motions for the 1 and 2 implant models of 29%-133% and 2%-39%, respectively, when compared with the 3 implant model. CONCLUSION Using a validated finite element model we demonstrated that placement of 3 implants across the SI joint using a transarticular orientation with superior implant reaching the sacral midline resulted in the most stable construct. Additional clinical studies may be required to confirm these results. PMID:29564210

A Version of the Graphics-Oriented Interactive Finite Element Time-Sharing System (GIFTS) for an IBM with CP/CMS.

DTIC Science & Technology

1982-03-01

POSTGRADUATE SCHOOL fMonterey, California THESIS A VERSION OF THE GRAPHICS-ORIENTED INTERACTIVE FINITE ELEMENT TIME-SHARING SYSTEM ( GIFTS ) FOR AN IBM...Master’s & Engineer’s active Finite Element Time-sharing System Thesis - March 1982 ( GIFTS ) for an IBM with CP/CMS 6. penromm.oOn. REPoRT MUlmiR 1. AUTHOIee...ss0in D dinuf 5W M memisi) ’A version of the Graphics-oriented, Interactive, Finite element, Time-sharing System ( GIFTS ) has been developed for, and

Pattern formation of microtubules and motors: inelastic interaction of polar rods.

PubMed

Aranson, Igor S; Tsimring, Lev S

2005-05-01

We derive a model describing spatiotemporal organization of an array of microtubules interacting via molecular motors. Starting from a stochastic model of inelastic polar rods with a generic anisotropic interaction kernel we obtain a set of equations for the local rods concentration and orientation. At large enough mean density of rods and concentration of motors, the model describes orientational instability. We demonstrate that the orientational instability leads to the formation of vortices and (for large density and/or kernel anisotropy) asters seen in recent experiments.

A device-oriented optimizer for solving ground state problems on an approximate quantum computer, Part II: Experiments for interacting spin and molecular systems

NASA Astrophysics Data System (ADS)

Kandala, Abhinav; Mezzacapo, Antonio; Temme, Kristan; Bravyi, Sergey; Takita, Maika; Chavez-Garcia, Jose; Córcoles, Antonio; Smolin, John; Chow, Jerry; Gambetta, Jay

Hybrid quantum-classical algorithms can be used to find variational solutions to generic quantum problems. Here, we present an experimental implementation of a device-oriented optimizer that uses superconducting quantum hardware. The experiment relies on feedback between the quantum device and classical optimization software which is robust to measurement noise. Our device-oriented approach uses naturally available interactions for the preparation of trial states. We demonstrate the application of this technique for solving interacting spin and molecular structure problems.

Atomic structure considerations for the low-temperature opacity of Sn

DOE PAGES

Colgan, J.; Kilcrease, D. P.; Abdallah, J.; ...

2017-03-31

Here, we have begun a preliminary investigation into the opacity of Sn at low temperatures (< 50 eV). The emissivity and opacity of Sn is a crucial factor in determining the utility of Sn in EUV lithography, with numerous industrial implications. To this end, we have been exploring the accuracy of some approximations used in opacity models for the relevant ion stages of Sn (neutral through ~ 18 times ionized). We also find that the use of intermediate-coupling, as compared to full configuration-interaction, is not adequate to obtain accurate line positions of the important bound-bound transitions in Sn. One requiresmore » full configuration-interaction to properly describe the strong mixing between the various n=4 sub-shells that give rise to the Δn= 0 transitions that dominate the opacity spectrum at low temperatures. Furthermore, since calculations that include full configuration-interaction for large numbers of configurations quickly become computationally prohibitive, we have explored hybrid calculations, in which full configuration-interaction is retained for the most important transitions, while intermediate-coupling is employed for all other transitions. After extensive exploration of the atomic structure properties, local-thermodynamic-equilibrium (LTE) opacities are generated using the ATOMIC code at selected temperatures and densities and compared to experiment.« less

Atomic structure considerations for the low-temperature opacity of Sn

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

Colgan, J.; Kilcrease, D. P.; Abdallah, J.

Here, we have begun a preliminary investigation into the opacity of Sn at low temperatures (< 50 eV). The emissivity and opacity of Sn is a crucial factor in determining the utility of Sn in EUV lithography, with numerous industrial implications. To this end, we have been exploring the accuracy of some approximations used in opacity models for the relevant ion stages of Sn (neutral through ~ 18 times ionized). We also find that the use of intermediate-coupling, as compared to full configuration-interaction, is not adequate to obtain accurate line positions of the important bound-bound transitions in Sn. One requiresmore » full configuration-interaction to properly describe the strong mixing between the various n=4 sub-shells that give rise to the Δn= 0 transitions that dominate the opacity spectrum at low temperatures. Furthermore, since calculations that include full configuration-interaction for large numbers of configurations quickly become computationally prohibitive, we have explored hybrid calculations, in which full configuration-interaction is retained for the most important transitions, while intermediate-coupling is employed for all other transitions. After extensive exploration of the atomic structure properties, local-thermodynamic-equilibrium (LTE) opacities are generated using the ATOMIC code at selected temperatures and densities and compared to experiment.« less

Intelligent nanomedicine integrating diagnosis and therapy

NASA Technical Reports Server (NTRS)

Li, Na (Inventor); Tan, Winny (Inventor)

2012-01-01

A method of controlling the activity of a biologically active compound. The method concerns an oligonucleotide-based compound, comprising a hairpin-forming oligonucleotide, an effector moiety physically associated with the oligonucleotide, where the effector moiety possesses a biological activity, and a regulating moiety physically associated with the oligonucleotide, where the regulating moiety controls the biological activity of the effector moiety by interacting with the effector moiety. The oligonucleotide can assume a hairpin configuration, where the effector and regulating moieties interact, or an open configuration, where the effector and regulating moieties fail to interact. Depending on the nature of the effector and regulating moieties, either configuration can result in the expression of the biological activity of the effector moiety.

Fluxoids configurations in finite superconducting networks

NASA Astrophysics Data System (ADS)

Sharon, Omri J.; Haham, Noam; Shaulov, Avner A.; Yeshurun, Yosef

2017-12-01

Analysis of superconducting ladders consisting of rectangular loops, yields an Ising like expression for the total energy of the ladders as a function of the loops vorticities and the applied magnetic field. This expression shows that fluxoids can be treated as repulsively interacting objects driven towards the ladder center by the applied field. Distinctive repulsive interactions between fluxoids are obtained depending on the ratio l between the loops length and the common width of adjacent loops. A 'short range' and a 'long range' interactions obtained for l ≳ 1 and l ≪ 1, respectively, give rise to remarkably different fluxoid configurations. The different configurations of fluxoids in different types of ladders are illustrated by simulations.

Harbour seals (Phoca vitulina) can steer by the stars.

PubMed

Mauck, Björn; Gläser, Nele; Schlosser, Wolfhard; Dehnhardt, Guido

2008-10-01

Offshore orientation in marine mammals is still a mystery. For visual orientation during night-time foraging and travelling in the open seas, seals cannot rely on distant terrestrial landmarks, and thus might use celestial cues as repeatedly shown for nocturnally migrating birds. Although seals detect enough stars to probably allow for astronavigation, it was unclear whether they can orient by the night sky. The widely accepted cognitive mechanism for bird night-time orientation by celestial cues is a time-independent star compass with learned geometrical star configurations used to pinpoint north as the rotational centre of the starry sky while there is no conclusive evidence for a time-compensated star compass or true star navigation. Here, we present results for two harbour seals orienting in a custom made swimming planetarium. Both seals learned to highly accurately identify a lodestar out of a pseudo-randomly oriented, realistic projection of the northern hemisphere night sky. Providing the first evidence for star orientation capability in a marine mammal, our seals' outstanding directional precision would allow them to steer by following lodestars of learned star courses, a celestial orientation mechanism that has been known to be used by Polynesian navigators but has not been considered for animals yet.

Gas turbine engine with radial diffuser and shortened mid section

DOEpatents

Charron, Richard C.; Montgomery, Matthew D.

2015-09-08

An industrial gas turbine engine (10), including: a can annular combustion assembly (80), having a plurality of discrete flow ducts configured to receive combustion gas from respective combustors (82) and deliver the combustion gas along a straight flow path at a speed and orientation appropriate for delivery directly onto the first row (56) of turbine blades (62); and a compressor diffuser (32) having a redirecting surface (130, 140) configured to receive an axial flow of compressed air and redirect the axial flow of compressed air radially outward.

Transformable and Reconfigurable Entry, Descent and Landing Systems and Methods

NASA Technical Reports Server (NTRS)

Fernandez, Ian M. (Inventor); Venkatapathy, Ethiraj (Inventor); Hamm, Kenneth R. (Inventor)

2014-01-01

A deployable aerodynamic decelerator structure includes a ring member disposed along a central axis of the aerodynamic decelerator, a plurality of jointed rib members extending radially from the ring member and a flexible layer attached to the plurality of rib members. A deployment device is operable to reconfigure the flexible layer from a stowed configuration to a deployed configuration by movement of the rib members and a control device is operable to redirect a lift vector of the decelerator structure by changing an orientation of the flexible layer.

Stability effects of singularities in force-controlled robotic assist devices

NASA Astrophysics Data System (ADS)

Luecke, Greg R.

2002-02-01

Force feedback is being used as an interface between humans and material handling equipment to provide an intuitive method to control large and bulky payloads. Powered actuation in the lift assist device compensates for the inertial characteristics of the manipulator and the payload to provide effortless control and handling of manufacturing parts, components, and assemblies. The use of these Intelligent Assist Devices (IAD) is being explored to prevent worker injury, enhance material handling performance, and increase productivity in the workplace. The IAD also provides the capability to shape and control motion in the workspace during routine operations. Virtual barriers can be developed to protect fixed objects in the workspace, and regions can be programmed that attract the work piece to a certain position and orientation. However, the robot is still under complete control of the human operator, with the trajectory being determined and commanded using the judgment of the operator to complete a given task. In many cases, the IAD is built in a configuration that may have singular points inside the workspace. These singularities can cause problems when the unstructured trajectory commands from the human cause interaction between the IAD and the virtual walls and fixtures at positions close to these singularities. The research presented here explores the stability effects of the interactions between the powered manipulator and the virtual surfaces when controlled by the operator. Because of the flexible nature of the human decisions determining the real time work piece paths, manipulator singularities that occur in conjunction with the virtual surfaces raise stability issues in the performance around these singularities. We examine these stability issues in the context of a particular IAD configuration, and present analytic results for the performance and stability of these systems in response to the real-time trajectory modification of the human operator.

Studying the local structure of liquid in chloro- and alkyl-substituted benzene derivatives via the molecular scattering of light

NASA Astrophysics Data System (ADS)

Kargin, I. D.; Lanshina, L. V.; Abramovich, A. I.

2017-09-01

The coefficients of scattering and the depolarization of scattered light are measured in liquid benzene, chlorobenzene, o-dichlorobenzene, o-chlorotoluene, toluene, and o-xylene in the temperature range of 293‒368 K at a wavelength of 546 nm. Isothermic compressibility, internal pressure, and the functions of radial and orientational correlation are calculated for these liquids in the indicated temperature range, using the classical theory of molecular light scattering. We show that the local structure of these liquids is determined by orthogonal contacts between benzene rings (the T-configuration) and stacked (S-type) configurations. T-configurations predominate in benzene, chlorobenzene, and o-chlorotoluene, while toluene, o-xylene, and o-dichlorobenzene are characterized by S-configurations. It is also shown that the local structures of these liquids are reorganized in a certain temperature range.

The controlled formation and cleavage of an intramolecular d8-d8 Pt-Pt interaction in a dinuclear cycloplatinated molecular "pivot-hinge".

PubMed

Koo, Chi-Kin; Wong, Ka-Leung; Lau, Kai-Cheung; Wong, Wai-Yeung; Lam, Michael Hon-Wah

2009-08-03

The bis(diphenylphosphino)methane (dppm)-bridged dinuclear cycloplatinated complex {[Pt(L)](2)(mu-dppm)}(2+) (Pt(2)dppm; HL: 2-phenyl-6-(1H-pyrazol-3-yl)-pyridine) demonstrates interesting reversible "pivot-hinge"-like intramolecular motions in response to the protonation/deprotonation of L. In its protonated "closed" configuration, the two platinum(II) centers are held in position by intramolecular d(8)-d(8) Pt-Pt interaction. In its deprotonated "open" configuration, such Pt-Pt interaction is cleaved. To further understand the mechanism behind this hingelike motion, an analogous dinuclear cycloplatinated complex, {[Pt(L)](2)(mu-dchpm)}(2+) (Pt(2)dchpm) with bis(dicyclohexylphosphino)methane (dchpm) as the bridging ligand, was synthesized. From its protonation/deprotonation responses, it was revealed that aromatic pi-pi interactions between the phenyl moieties of the mu-dppm and the deprotonated pyrazolyl rings of L was essential to the reversible cleavage of the intramolecular Pt-Pt interaction in Pt(2)dppm. In the case of Pt(2)dchpm, spectroscopic and spectrofluorometric titrations as well as X-ray crystallography indicated that the distance between the two platinum(II) centers shrank upon deprotonation, thus causing a redshift in its room-temperature triplet metal-metal-to-ligand charge-transfer emission from 614 to 625 nm. Ab initio calculations revealed the presence of intramolecular hydrogen bonding between the deprotonated and negatively charged 1-pyrazolyl-N moiety and the methylene CH and phenyl C-H of the mu-dppm. The "open" configuration of the deprotonated Pt(2)dppm was estimated to be 19 kcal mol(-1) more stable than its alternative "closed" configuration. On the other hand, the open configuration of the deprotonated Pt(2)dchpm was 6 kcal mol(-1) less stable than its alternative closed configuration.

Nuclear orientation of antimony and bromine isotopes

NASA Astrophysics Data System (ADS)

Barham, Christopher G.

The technique of Low Temperature Nuclear Orientation has been used to study neutron deficient antimony and bromine isotopes. The antimony and bromine isotopes were produced using Daresbury Laboratory's Nuclear Sctructure Facility by the reactions [28]Si([93]Nb) and [28]Si([54]Fe) respectively, both at 150 MeV. Further anisotropy measurements on [72.74m,75]Br at lower temperature have been used to extend previous data. The magnetic moment of [72]Br has been limited to be within the range 0.54mu[N]

Optogenetic Assessment of Horizontal Interactions in Primary Visual Cortex

PubMed Central

Huang, Xiaoying; Elyada, Yishai M.; Bosking, William H.; Walker, Theo

2014-01-01

Columnar organization of orientation selectivity and clustered horizontal connections linking orientation columns are two of the distinctive organizational features of primary visual cortex in many mammalian species. However, the functional role of these connections has been harder to characterize. Here we examine the extent and nature of horizontal interactions in V1 of the tree shrew using optical imaging of intrinsic signals, optogenetic stimulation, and multi-unit recording. Surprisingly, we find the effects of optogenetic stimulation depend primarily on distance and not on the specific orientation domains or axes in the cortex, which are stimulated. In addition, across a wide range of variation in both visual and optogenetic stimulation we find linear addition of the two inputs. These results emphasize that the cortex provides a rich substrate for functional interactions that are not limited to the orientation-specific interactions predicted by the monosynaptic distribution of horizontal connections. PMID:24695715

When sex is more than just sex: attachment orientations, sexual experience, and relationship quality.

PubMed

Birnbaum, Gurit E; Reis, Harry T; Mikulincer, Mario; Gillath, Omri; Orpaz, Ayala

2006-11-01

The authors explored the contribution of individual differences in attachment orientations to the experience of sexual intercourse and its association with relationship quality. In Study 1, 500 participants completed self-report scales of attachment orientations and sexual experience. The findings indicated that whereas attachment anxiety was associated with an ambivalent construal of sexual experience, attachment avoidance was associated with more aversive sexual feelings and cognitions. In Study 2, 41 couples reported on their attachment orientations and provided daily diary measures of sexual experiences and relationship interactions for a period of 42 days. Results showed that attachment anxiety amplified the effects of positive and negative sexual experiences on relationship interactions. In contrast, attachment avoidance inhibited the positive relational effect of having sex and the detrimental relational effects of negative sexual interactions. The authors discuss the possibility that attachment orientations are associated with different sex-related strategies and goals within romantic relationships.

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

Matsuura, Yukihito, E-mail: matsuura@chem.nara-k.ac.jp

The tunneling magnetoresistance (TMR) of a silicon chain sandwiched between nickel electrodes was examined by using first-principles density functional theory. The relative orientation of the magnetization in a parallel-alignment (PA) configuration of two nickel electrodes enhanced the current with a bias less than 0.4 V compared with that in an antiparallel-alignment configuration. Consequently, the silicon chain-nickel electrodes yielded good TMR characteristics. In addition, there was polarized spin current in the PA configuration. The spin polarization of sulfur atoms functioning as a linking bridge between the chain and nickel electrode played an important role in the magnetic effects of the electric current.more » Moreover, the hybridization of the sulfur 3p orbital and σ-conjugated silicon 3p orbital contributed to increasing the total current.« less

Stress modeling of microdiaphragm pressure sensors

NASA Technical Reports Server (NTRS)

Tack, P. C.; Busta, H. H.

1986-01-01

A finite element program analysis was used to model the stress distribution of two monocrystalline silicon diaphragm pressure sensors. One configuration consists of an anisotropically backside etched diaphragm into a 250 micron thick, (100) oriented, silicon wafer. The diaphragm and total chip dimensions are given. The device is rigidly clamped on the back to a support substrate. Another configuration consists of a monocrystalline, (100), microdiaphragm which is formed on top of the wafer and whose area is reduced by a factor of 25 over the first configuration. The diaphragm is rigidly clamped to the silicon wafer. The stresses were calculated at a gauge pressure of 300 mm Hg and used to estimate the piezoresistive responses of resistor elements which were placed parallel and perpendicular near the diaphragm edges.

Intraoperative Adductor Canal Block for Augmentation of Periarticular Injection in Total Knee Arthroplasty: A Cadaveric Study.

PubMed

Pepper, Andrew M; North, Trevor W; Sunderland, Adam M; Davis, Jason J

2016-09-01

Function is often sacrificed for pain control after total knee arthroplasty. Motor-sparing blocks, including adductor canal block (ACB) and periarticular injection (PAI), have gained interest to address this compromise. Our study evaluates the anatomic feasibility, accuracy, and safety of intraoperative ACB as an adjunct to PAI by analyzing 3 different injection orientations and needle configurations. Eleven cadaveric knees underwent a standard medial parapatellar arthrotomy. Blunt dissection through the suprapatellar recess was performed. Using a 10-mL syringe, various colors of dyed liquid gelatin were injected toward the proximal and distal adductor canal (AC) using 3 needle configurations. Medial dissection of the knee for each specimen was performed. The position of each needle and location of injected dye was identified and described relative to the AC. Accuracy of each injection orientation and/or needle configuration was different: 86% for a blunt needle in the distal AC, 57% for blunt needle in the proximal AC, and 14% for a spinal needle in the proximal AC. Puncture of the femoral artery was observed with the spinal needle 43% of the time and had the closest average proximity to the femoral artery with a distance of 5.9 mm. There were no vascular punctures using blunt needles, and the average distance from the femoral artery with proximal and distal orientation was 10.2 mm and 15.4 mm, respectively. Intraoperative ACB augmentation of PAI appears to be anatomically feasible and safe. There was decreased accuracy and increased risk of vascular puncture using a 3.5-inch spinal needle. A blunt 1.5-inch needle directed toward the distal AC had the highest accuracy while minimizing vascular injury. Copyright © 2016 Elsevier Inc. All rights reserved.

Strategies to Engage Students' Production of Electron Configurations in a Prototypical Chemistry Classroom Community

ERIC Educational Resources Information Center

Grueber, David J.

2012-01-01

This study investigated associations between teacher-student interaction and students' persistence to complete written electron configurations in a high school chemistry classroom. Analyses of the interactions were guided with an Expectancy-Value framework to identify the discourse strategies used by the teacher to build engagement in a classroom…

Effects of Consideration of Future Consequences and Temporal Framing on Acceptance of the HPV Vaccine Among Young Adults.

PubMed

Kim, Jarim; Nan, Xiaoli

2016-09-01

This study examines how individual difference in consideration of future consequences (CFC) and temporal framing (i.e., present- vs. future-oriented message) interact to influence the persuasive outcomes of a health message promoting human papillomavirus (HPV) vaccination among young adults. Results of an experiment (N = 416) showed a significant interaction effect of CFC and temporal framing on persuasion. The nature of the interaction suggested that individuals with high CFC generally were more persuaded by the present-oriented messages, compared to the future-oriented messages. On the other hand, those with low CFC responded similarly to the present- and future-oriented messages. Implications of the findings for HPV vaccination messaging are discussed.

Parametric study of graphite foam fins and application in heat exchangers

NASA Astrophysics Data System (ADS)

Collins, Michael

This thesis focuses on the simulation and experimental studies of finned graphite foam extended surfaces to test their heat transfer characteristics and potential applications in condensers. Different fin designs were developed to conduct a parametric study on the thermal effectiveness with respect to thickness, spacing and fin offset angle. Each fin design was computationally simulated to estimate the heat transfer under specific conditions. The simulations showed that this optimal fin configuration could conduct more than 297% the amount of thermal energy as compared to straight aluminum fins. Graphite foam fins were then implemented into a simulation of the condenser system. The condenser was simulated with six different orientations of baffles to examine the incoming vapor and resulting two-phase flow patterns. The simulations showed that using both horizontal and vertical baffling provided the configuration with the highest heat transfer and minimized the bypass regions where the vapor would circumvent the graphite foam. This baffle configuration increased the amount of vapor flow through the inner graphite fins and cold water pipes, which gave this configuration the highest heat transfer. The results from experimental tests using the condenser system confirmed that using three baffles will increase performance consistent with the simulation results. The experimental data showed that the condenser using graphite foam had five times the heat transfer compared to the condenser using only aluminum fins. Incorporating baffles into the condenser using graphite foam enabled this system to conduct nearly ten times more heat transfer than the condenser system which only had aluminum fins without baffles. The results from this research indicate that graphite foam is a far superior material heat transfer enhancement material for heat transfer compared to aluminum used as an extended surface. The longitudinal and horizontal baffles incorporated into the condenser system greatly enhanced the heat transfer because of the increased interaction with the porous graphite foam fins.

Combustion Stability Analyses of Coaxial Element Injectors with Liquid Oxygen/Liquid Methane Propellants

NASA Technical Reports Server (NTRS)

Hulka, J. R.

2010-01-01

Liquid rocket engines using oxygen and methane propellants are being considered by the National Aeronautics and Space Administration (NASA) for in-space vehicles. This propellant combination has not been previously used in a flight-qualified engine system, so limited test data and analysis results are available at this stage of early development. NASA has funded several hardware-oriented activities with oxygen and methane propellants over the past several years with the Propulsion and Cryogenic Advanced Development (PCAD) project, under the Exploration Technology Development Program. As part of this effort, the NASA Marshall Space Flight Center has conducted combustion stability analyses of several of the configurations. This paper presents test data and analyses of combustion stability from the recent PCAD-funded test programs at the NASA MSFC. These test programs used swirl coaxial element injectors with liquid oxygen and liquid methane propellants. Oxygen was injected conventionally in the center of the coaxial element, and swirl was provided by tangential entry slots. Injectors with 28-element and 40-element patterns were tested with several configurations of combustion chambers, including ablative and calorimeter spool sections, and several configurations of fuel injection design. Low frequency combustion instability (chug) occurred with both injectors, and high-frequency combustion instability occurred at the first tangential (1T) transverse mode with the 40-element injector. In most tests, a transition between high-amplitude chug with gaseous methane flow and low-amplitude chug with liquid methane flow was readily observed. Chug analyses of both conditions were conducted using techniques from Wenzel and Szuch and from the Rocket Combustor Interactive Design and Analysis (ROCCID) code. The 1T mode instability occurred in several tests and was apparent by high-frequency pressure measurements as well as dramatic increases in calorimeter-measured heat flux throughout the chamber. Analyses of the transverse mode were conducted with ROCCID and empirical methods such as Hewitt d/V. This paper describes the test hardware configurations, test data, analysis methods, and presents results of the various analyses.

Internal aerodynamics of a generic three-dimensional scramjet inlet at Mach 10

NASA Technical Reports Server (NTRS)

Holland, Scott D.

1995-01-01

A combined computational and experimental parametric study of the internal aerodynamics of a generic three-dimensional sidewall compression scramjet inlet configuration at Mach 10 has been performed. The study was designed to demonstrate the utility of computational fluid dynamics as a design tool in hypersonic inlet flow fields, to provide a detailed account of the nature and structure of the internal flow interactions, and to provide a comprehensive surface property and flow field database to determine the effects of contraction ratio, cowl position, and Reynolds number on the performance of a hypersonic scramjet inlet configuration. The work proceeded in several phases: the initial inviscid assessment of the internal shock structure, the preliminary computational parametric study, the coupling of the optimized configuration with the physical limitations of the facility, the wind tunnel blockage assessment, and the computational and experimental parametric study of the final configuration. Good agreement between computation and experimentation was observed in the magnitude and location of the interactions, particularly for weakly interacting flow fields. Large-scale forward separations resulted when the interaction strength was increased by increasing the contraction ratio or decreasing the Reynolds number.

Threshold and channel interaction in cochlear implant users: evaluation of the tripolar electrode configuration.

PubMed

Bierer, Julie Arenberg

2007-03-01

The efficacy of cochlear implants is limited by spatial and temporal interactions among channels. This study explores the spatially restricted tripolar electrode configuration and compares it to bipolar and monopolar stimulation. Measures of threshold and channel interaction were obtained from nine subjects implanted with the Clarion HiFocus-I electrode array. Stimuli were biphasic pulses delivered at 1020 pulses/s. Threshold increased from monopolar to bipolar to tripolar stimulation and was most variable across channels with the tripolar configuration. Channel interaction, quantified by the shift in threshold between single- and two-channel stimulation, occurred for all three configurations but was largest for the monopolar and simultaneous conditions. The threshold shifts with simultaneous tripolar stimulation were slightly smaller than with bipolar and were not as strongly affected by the timing of the two channel stimulation as was monopolar. The subjects' performances on clinical speech tests were correlated with channel-to-channel variability in tripolar threshold, such that greater variability was related to poorer performance. The data suggest that tripolar channels with high thresholds may reveal cochlear regions of low neuron survival or poor electrode placement.

Parametrization of free ion levels of four isoelectronic 4f2 systems: Insights into configuration interaction parameters

NASA Astrophysics Data System (ADS)

Yeung, Yau Yuen; Tanner, Peter A.

2013-12-01

The experimental free ion 4f2 energy level data sets comprising 12 or 13 J-multiplets of La+, Ce2+, Pr3+ and Nd4+ have been fitted by a semiempirical atomic Hamiltonian comprising 8, 10, or 12 freely-varying parameters. The root mean square errors were 16.1, 1.3, 0.3 and 0.3 cm-1, respectively for fits with 10 parameters. The fitted inter-electronic repulsion and magnetic parameters vary linearly with ionic charge, i, but better linear fits are obtained with (4-i)2, although the reason is unclear at present. The two-body configuration interaction parameters α and β exhibit a linear relation with [ΔE(bc)]-1, where ΔE(bc) is the energy difference between the 4f2 barycentre and that of the interacting configuration, namely 4f6p for La+, Ce2+, and Pr3+, and 5p54f3 for Nd4+. The linear fit provides the rationale for the negative value of α for the case of La+, where the interacting configuration is located below 4f2.

Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

NASA Astrophysics Data System (ADS)

Tubman, Norm; Whaley, Birgitta

The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

Interaction of silicene with amino acid analogues—from physical to chemical adsorption in gas and solvated phases

NASA Astrophysics Data System (ADS)

Jagvaral, Yesukhei; He, Haiying; Pandey, Ravindra

2018-01-01

Silicene is an emerging 2D material, and an understanding of its interaction with amino acids, the basic building blocks of protein, is of fundamental importance. In this paper, we investigate the nature of adsorption of amino-acid analogues on silicene employing density functional theory and an implicit solvation model. Amino acid analogues are defined as CH3-R molecules, where R is the functional group of the amino acid side chain. The calculated results find three distinct groups within the amino-acid analogues considered: (i) group I, which includes MeCH3 and MeSH, interacts with silicene via the van der Waals dispersive terms leading to physisorbed configurations; (ii) group II strongly interacts with silicene forming Si-O/N chemical bonds in the chemisorbed configurations; and (iii) group III, which consists of the phenyl group, interacts with silicene via π-π interactions leading to physisorbed configurations. The results show that the lateral chains of the amino acids intrinsically determine the interactions between protein and silicene at the interface under the given physiological conditions.

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields.

PubMed

Klinkusch, Stefan; Tremblay, Jean Christophe

2016-05-14

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

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

Klinkusch, Stefan; Tremblay, Jean Christophe

In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electronmore » ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.« less

The orientation of the cervical vertebral column in unrestrained awake animals. I. Resting position.

PubMed

Vidal, P P; Graf, W; Berthoz, A

1986-01-01

The orientation of the cervical vertebral column was studied by X-ray photography of the region containing the head and the neck in nine unrestrained species of vertebrates (man, monkey, cat, rabbit, guinea pig, rat, chicken, frog, lizard). In addition, the orientation of the horizontal semicircular canals was measured in four species using landmarks on the skull. In all vertebrates studied, with the exception of frog and lizard, the general orientation of the cervical vertebral column was vertical when animals were at rest, and not horizontal or oblique as suggested by the macroscopic appearance of the neck. The posture of the animal, whether lying, sitting or standing, had little effect on this general vertical orientation, although some variability was noticed depending on the species. This finding prompted the definition of a resting zone, where the cervical column can take any orientation within a narrow range around a mean position. The cervical vertebral column composes part of the S-shaped structure of the entire vertebral column, with one inflection around the cervico-thoracic (C7/Th1) junction. This feature is already noticable in the lizard. The vertical orientation of the cervical vertebral column is interpreted to provide a stable and energy saving balance of the head. Furthermore, when the head is lowered or raised, the atlanto-occipital and cervico-thoracic junctions are predominantly involved, while the entire cervical column largely preserves its intrinsic configuration. The curved configuration of the cervico-thoracic vertebral column embedded in long spring-like muscles is interpreted to function as a shock absorber. At rest, animals did not hold their heads with the horizontal canals oriented earth horizontally all the time, but often maintained them pitched up by ca. 5 deg, as has been reported for man. At other times, presumably when the vigilance level increased, the horizontal canals were brought into the earth horizontal plane. The vertical orientation of the cervical column results in a vertical positioning of the odontoid process of the axis (second cervical vertebra, C2), which thus provides the axis of rotation for yaw movements of the head. This axis corresponds to that of the horizontal semicircular canals. The vertical organization of the cervical vertebral column in birds and mammals, whether the animal is quadrupedal or bipedal, points to a common organizational principle for eye and head movement systems.(ABSTRACT TRUNCATED AT 400 WORDS)

XPS/NEXAFS spectroscopic and conductance studies of glycine on AlGaN/GaN transistor devices

NASA Astrophysics Data System (ADS)

Myers, Matthew; Khir, Farah Liyana Muhammad; Home, Michael A.; Mennell, Christopher; Gillbanks, Jeremy; Tadich, Anton; Baker, Murray V.; Nener, Brett D.; Parish, Giacinta

2018-03-01

We report on a study using a combination of XPS/NEXAFS and conductivity measurements to develop a fundamental understanding of how dipolar molecules interact with the heterostructure device surface and affect the device conductivity of AlGaN/GaN heterostructure-based transistors. In such structures, which are increasingly being investigated for chemical and biological sensing, a 2-dimensional electron gas spontaneously forms at the layer interface that is sensitive to the charge characteristics of the exposed surface. Glycine, chosen for this study because it is the simplest of the amino acids and is known to form a zwitterionic configuration when stabilized through intermolecular interactions, was evaporated under ultra-high vacuum conditions onto the device surface and subsequently both XPS/NEXAFS and conductivity measurements were conducted. NEXAFS spectra show a preferential orientation for the Glycine molecules on the surface and evidence for both neutral and zwitterionic species on the surface. In situ conductivity measurements suggest that the negatively charged carboxylate group is closest to the surface. These results are a unique and pivotal contribution to the previous and at times conflicting literature on the zwitterionic nature of Glycine.

Defect modelling in an interactive 3-D CAD environment

NASA Astrophysics Data System (ADS)

Reilly, D.; Potts, A.; McNab, A.; Toft, M.; Chapman, R. K.

2000-05-01

This paper describes enhancement of the NDT Workbench, as presented at QNDE '98, to include theoretical models for the ultrasonic inspection of smooth planar defects, developed by British Energy and BNFL-Magnox Generation. The Workbench is a PC-based software package for the reconstruction, visualization and analysis of 3-D ultrasonic NDT data in an interactive CAD environment. This extension of the Workbeach now provides the user with a well established modelling approach, coupled with a graphical user interface for: a) configuring the model for flaw size, shape, orientation and location; b) flexible specification of probe parameters; c) selection of scanning surface and scan pattern on the CAD component model; d) presentation of the output as a simulated ultrasound image within the component, or as graphical or tabular displays. The defect modelling facilities of the Workbench can be used for inspection procedure assessment and confirmation of data interpretation, by comparison of overlay images generated from real and simulated data. The modelling technique currently implemented is based on the Geometrical Theory of Diffraction, for simulation of strip-like, circular or elliptical crack responses in the time harmonic or time dependent cases. Eventually, the Workbench will also allow modelling using elastodynamic Kirchhoff theory.

Top-level modeling of an als system utilizing object-oriented techniques

NASA Astrophysics Data System (ADS)

Rodriguez, L. F.; Kang, S.; Ting, K. C.

The possible configuration of an Advanced Life Support (ALS) System capable of supporting human life for long-term space missions continues to evolve as researchers investigate potential technologies and configurations. To facilitate the decision process the development of acceptable, flexible, and dynamic mathematical computer modeling tools capable of system level analysis is desirable. Object-oriented techniques have been adopted to develop a dynamic top-level model of an ALS system.This approach has several advantages; among these, object-oriented abstractions of systems are inherently modular in architecture. Thus, models can initially be somewhat simplistic, while allowing for adjustments and improvements. In addition, by coding the model in Java, the model can be implemented via the World Wide Web, greatly encouraging the utilization of the model. Systems analysis is further enabled with the utilization of a readily available backend database containing information supporting the model. The subsystem models of the ALS system model include Crew, Biomass Production, Waste Processing and Resource Recovery, Food Processing and Nutrition, and the Interconnecting Space. Each subsystem model and an overall model have been developed. Presented here is the procedure utilized to develop the modeling tool, the vision of the modeling tool, and the current focus for each of the subsystem models.

A kinematic analysis of the Space Station remote manipulator system (SSRMS)

NASA Technical Reports Server (NTRS)

Crane, Carl D., III; Duffy, Joseph; Carnahan, Tim

1991-01-01

An efficient reverse analysis of three 6-degree-of-freedom (dof) subchains of the 7-dof SSRMS is presented. The first subchain is formed by locking the seventh joint. The second subchain is formed by locking the second joint, while the third subchain is formed by locking the first joint (the grounded joint is counted as the first joint in the chain). There are a maximum of eight different arm configurations in each of the three subchains, and these were determined by employing a computer-efficient algorithm, which required the rooting of only at most quadratic polynomials. The algorithms were implemented, and the SSRMS was employed in an animated environment to perform and practice a number of useful tasks for Space Station servicing. The locking of the second joint has the advantage in that an operator can choose the orientation of the plane that contains the two longest links so as to avoid collisions with obstacles. However, it has the disadvantage that when the second joint angle equals 0 deg or 180 deg, the manipulator is in a singularity configuration. This plane can also be oriented by specifying the first joint angle, so that the plane can be oriented arbitrarily and, in this, the singularity is avoided.

The Mohr-Coulomb criterion for intact rock strength and friction - a re-evaluation and consideration of failure under polyaxial stresses

NASA Astrophysics Data System (ADS)

Hackston, Abigail; Rutter, Ernest

2016-04-01

Darley Dale and Pennant sandstones were tested under conditions of both axisymmetric shortening and extension normal to bedding. These are the two extremes of loading under polyaxial stress conditions. Failure under generalized stress conditions can be predicted from the Mohr-Coulomb failure criterion under axisymmetric shortening conditions, provided the best form of polyaxial failure criterion is known. The sandstone data are best reconciled using the Mogi (1967) empirical criterion. Fault plane orientations produced vary greatly with respect to the maximum compressive stress direction in the two loading configurations. The normals to the Mohr-Coulomb failure envelopes do not predict the orientations of the fault planes eventually produced. Frictional sliding on variously inclined saw cuts and failure surfaces produced in intact rock samples was also investigated. Friction coefficient is not affected by fault plane orientation in a given loading configuration, but friction coefficients in extension were systematically lower than in compression for both rock types. Friction data for these and other porous sandstones accord well with the Byerlee (1978) generalization about rock friction being largely independent of rock type. For engineering and geodynamic modelling purposes, the stress-state-dependent friction coefficient should be used for sandstones, but it is not known to what extent this might apply to other rock types.

A Cognitive Model of How Interactive Multimedia Authoring Facilitates Conceptual Understanding of Object-Oriented Programming in Novices

ERIC Educational Resources Information Center

Yuen, Timothy; Liu, Min

2011-01-01

This paper presents a cognitive model of how interactive multimedia authoring (IMA) affect novices' cognition in object-oriented programming. This model was generated through an empirical study of first year computer science students at the university level being engaged in interactive multimedia authoring of a role-playing game. Clinical…

A Future-Oriented Retirement Transition Adjustment Framework

ERIC Educational Resources Information Center

Hesketh, Beryl; Griffin, Barbara; Loh, Vanessa

2011-01-01

This theoretical paper presents a person-environment fit framework that extends the Minnesota Theory of Work Adjustment to retirement transition and adjustment. The proposed Retirement Transition and Adjustment Framework (RTAF) also accommodates dynamic intra-individual and environment change over time, configural combinations of variables, and an…

Controllable exchange bias in Fe/metamagnetic FeRh bilayers

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

Suzuki, Ippei; Hamasaki, Yosuke; Itoh, Mitsuru

2014-10-27

We report the studies of tuning the exchange bias at ferromagnetic Fe/metamagnetic FeRh bilayer interfaces. Fe/FeRh(111) bilayers show exchange bias in the antiferromagnetic state of FeRh while no exchange bias occurs at Fe/FeRh(001) interface. The contrasting results are attributed to the spin configurations of FeRh at the interface, i.e., the uncompensated ferromagnetic spin configuration of FeRh appears exclusively for (111) orientation. The exchange bias disappears as the bilayers are warmed above the antiferromagnetic-ferromagnetic transition temperature. The direction of the exchange bias for Fe/FeRh(111) is also found to be perpendicular to the cooling-field direction, in contrast to the commonly observed directionmore » of exchange bias for ferromagnetic/antiferromagnetic interfaces. In view of these results, the exchange bias in Fe/FeRh bilayers with the (111) crystallographic orientation should be useful for the design of rapid writing technology for magnetic information devices.« less

TAS: A Transonic Aircraft/Store flow field prediction code

NASA Technical Reports Server (NTRS)

Thompson, D. S.

1983-01-01

A numerical procedure has been developed that has the capability to predict the transonic flow field around an aircraft with an arbitrarily located, separated store. The TAS code, the product of a joint General Dynamics/NASA ARC/AFWAL research and development program, will serve as the basis for a comprehensive predictive method for aircraft with arbitrary store loadings. This report described the numerical procedures employed to simulate the flow field around a configuration of this type. The validity of TAS code predictions is established by comparison with existing experimental data. In addition, future areas of development of the code are outlined. A brief description of code utilization is also given in the Appendix. The aircraft/store configuration is simulated using a mesh embedding approach. The computational domain is discretized by three meshes: (1) a planform-oriented wing/body fine mesh, (2) a cylindrical store mesh, and (3) a global Cartesian crude mesh. This embedded mesh scheme enables simulation of stores with fins of arbitrary angular orientation.

Design and Experimental Performance of a Two Stage Partial Admission Turbine, Task B.1/B.4

NASA Technical Reports Server (NTRS)

Sutton, R. F.; Boynton, J. L.; Akian, R. A.; Shea, Dan; Roschak, Edmund; Rojas, Lou; Orr, Linsey; Davis, Linda; King, Brad; Bubel, Bill

1992-01-01

A three-inch mean diameter, two-stage turbine with partial admission in each stage was experimentally investigated over a range of admissions and angular orientations of admission arcs. Three configurations were tested in which first stage admission varied from 37.4 percent (10 of 29 passages open, 5 per side) to 6.9 percent (2 open, 1 per side). Corresponding second stage admissions were 45.2 percent (14 of 31 passages open, 7 per side) and 12.9 percent (4 open, 2 per side). Angular positions of the second stage admission arcs with respect to the first stage varied over a range of 70 degrees. Design and off-design efficiency and flow characteristics for the three configurations are presented. The results indicated that peak efficiency and the corresponding isentropic velocity ratio decreased as the arcs of admission were decreased. Both efficiency and flow characteristics were sensitive to the second stage nozzle orientation angles.

Plasma-electric field controlled growth of oriented graphene for energy storage applications

NASA Astrophysics Data System (ADS)

Ghosh, Subrata; Polaki, S. R.; Kamruddin, M.; Jeong, Sang Mun; (Ken Ostrikov, Kostya

2018-04-01

It is well known that graphene grows as flat sheets aligned with the growth substrate. Oriented graphene structures typically normal to the substrate have recently attracted major attention. Most often, the normal orientation is achieved in a plasma-assisted growth and is believed to be due to the plasma-induced in-built electric field, which is usually oriented normal to the substrate. This work focuses on the effect of an in-built electric field on the growth direction, morphology, interconnectedness, structural properties and also the supercapacitor performance of various configurations of graphene structures and reveals the unique dependence of these features on the electric field orientation. It is shown that tilting of growth substrates from parallel to the normal direction with respect to the direction of in-built plasma electric field leads to the morphological transitions from horizontal graphene layers, to oriented individual graphene sheets and then interconnected 3D networks of oriented graphene sheets. The revealed transition of the growth orientation leads to a change in structural properties, wetting nature, types of defect in graphitic structures and also affects their charge storage capacity when used as supercapacitor electrodes. This simple and versatile approach opens new opportunities for the production of potentially large batches of differently oriented and structured graphene sheets in one production run.

Monitoring the orientation of rare-earth-doped nanorods for flow shear tomography.

PubMed

Kim, Jongwook; Michelin, Sébastien; Hilbers, Michiel; Martinelli, Lucio; Chaudan, Elodie; Amselem, Gabriel; Fradet, Etienne; Boilot, Jean-Pierre; Brouwer, Albert M; Baroud, Charles N; Peretti, Jacques; Gacoin, Thierry

2017-09-01

Rare-earth phosphors exhibit unique luminescence polarization features originating from the anisotropic symmetry of the emitter ion's chemical environment. However, to take advantage of this peculiar property, it is necessary to control and measure the ensemble orientation of the host particles with a high degree of precision. Here, we show a methodology to obtain the photoluminescence polarization of Eu-doped LaPO 4 nanorods assembled in an electrically modulated liquid-crystalline phase. We measure Eu 3+ emission spectra for the three main optical configurations (σ, π and α, depending on the direction of observation and the polarization axes) and use them as a reference for the nanorod orientation analysis. Based on the fact that flowing nanorods tend to orient along the shear strain profile, we use this orientation analysis to measure the local shear rate in a flowing liquid. The potential of this approach is then demonstrated through tomographic imaging of the shear rate distribution in a microfluidic system.

Homography-based visual servo regulation of mobile robots.

PubMed

Fang, Yongchun; Dixon, Warren E; Dawson, Darren M; Chawda, Prakash

2005-10-01

A monocular camera-based vision system attached to a mobile robot (i.e., the camera-in-hand configuration) is considered in this paper. By comparing corresponding target points of an object from two different camera images, geometric relationships are exploited to derive a transformation that relates the actual position and orientation of the mobile robot to a reference position and orientation. This transformation is used to synthesize a rotation and translation error system from the current position and orientation to the fixed reference position and orientation. Lyapunov-based techniques are used to construct an adaptive estimate to compensate for a constant, unmeasurable depth parameter, and to prove asymptotic regulation of the mobile robot. The contribution of this paper is that Lyapunov techniques are exploited to craft an adaptive controller that enables mobile robot position and orientation regulation despite the lack of an object model and the lack of depth information. Experimental results are provided to illustrate the performance of the controller.

Interaction of dyes CD–1 and SD–1 with the surface of oligodimethysiloxane

NASA Astrophysics Data System (ADS)

Chausov, D. N.

2018-03-01

We carried out the modeling orientation of the dyes CD–1 and SD–1 relative to the surface of oligodimethysiloxane using the atom–atom potentials method. We have discovered the dependence of the interaction energy in dyes molecules on the angles which characterizes their orientation relative to the surface of the oligodimethysiloxane crystal. It was found out that the obtained energy value of interaction with the surface can explain weak adhesive qualities of the dyes and the orientation type relative to the surface. We identified the break– loose force for the dyes on the oligodimethysiloxane crystal surface.

Motion-form interactions beyond the motion integration level: evidence for interactions between orientation and optic flow signals.

PubMed

Pavan, Andrea; Marotti, Rosilari Bellacosa; Mather, George

2013-05-31

Motion and form encoding are closely coupled in the visual system. A number of physiological studies have shown that neurons in the striate and extrastriate cortex (e.g., V1 and MT) are selective for motion direction parallel to their preferred orientation, but some neurons also respond to motion orthogonal to their preferred spatial orientation. Recent psychophysical research (Mather, Pavan, Bellacosa, & Casco, 2012) has demonstrated that the strength of adaptation to two fields of transparently moving dots is modulated by simultaneously presented orientation signals, suggesting that the interaction occurs at the level of motion integrating receptive fields in the extrastriate cortex. In the present psychophysical study, we investigated whether motion-form interactions take place at a higher level of neural processing where optic flow components are extracted. In Experiment 1, we measured the duration of the motion aftereffect (MAE) generated by contracting or expanding dot fields in the presence of either radial (parallel) or concentric (orthogonal) counterphase pedestal gratings. To tap the stage at which optic flow is extracted, we measured the duration of the phantom MAE (Weisstein, Maguire, & Berbaum, 1977) in which we adapted and tested different parts of the visual field, with orientation signals presented either in the adapting (Experiment 2) or nonadapting (Experiments 3 and 4) sectors. Overall, the results showed that motion adaptation is suppressed most by orientation signals orthogonal to optic flow direction, suggesting that motion-form interactions also take place at the global motion level where optic flow is extracted.

Atomic alignment effect in the dissociative energy transfer reaction of metal carbonyls (Fe(CO)5, Ni(CO)4) with oriented Ar (3P2, M(J) = 2).

PubMed

Ohoyama, H; Matsuura, Y

2011-10-13

The atomic alignment effect has been studied for the dissociative energy transfer reaction of metal carbonyls (Fe(CO)(5), Ni(CO)(4)) with the oriented Ar ((3)P(2), M(J) = 2). The emission intensity from the excited metal products (Fe*, Ni*) has been measured as a function of the atomic alignment in the collision frame. The selectivity of the atomic orbital alignment of Ar ((3)P(2), M(J) = 2) (rank 2 moment, a(2)) is found to be opposite for the two reaction systems; the Fe(CO)(5) reaction is favorable at the Π configuration (positive a(2)), while the Ni(CO)(4) reaction is favorable at the Σ configuration (negative a(2)). Moreover, a significant spin alignment effect (rank 4 moment, a(4)) is recognized only in the Ni(CO)(4) reaction. The atomic alignment effect turns out to be essentially different between the two reaction systems; the Fe(CO)(5) reaction is controlled by the configuration of the half-filled 3p atomic orbital of Ar ((3)P(2)) in the collision frame (L dependence), whereas the Ni(CO)(4) reaction is controlled by the configuration of the total angular moment J (including spin) of Ar ((3)P(2)) in the collision frame (J dependence). As the origin of J dependence observed only in the Ni(CO)(4) reaction, the correlation (and/or the interference) between two electron exchange processes via the electron rearrangements is proposed.

Geometry modeling and multi-block grid generation for turbomachinery configurations

NASA Technical Reports Server (NTRS)

Shih, Ming H.; Soni, Bharat K.

1992-01-01

An interactive 3D grid generation code, Turbomachinery Interactive Grid genERation (TIGER), was developed for general turbomachinery configurations. TIGER features the automatic generation of multi-block structured grids around multiple blade rows for either internal, external, or internal-external turbomachinery flow fields. Utilization of the Bezier's curves achieves a smooth grid and better orthogonality. TIGER generates the algebraic grid automatically based on geometric information provided by its built-in pseudo-AI algorithm. However, due to the large variation of turbomachinery configurations, this initial grid may not always be as good as desired. TIGER therefore provides graphical user interactions during the process which allow the user to design, modify, as well as manipulate the grid, including the capability of elliptic surface grid generation.

Study of the 190Hg Nucleus: Testing the Existence of U(5) Symmetry

NASA Astrophysics Data System (ADS)

Jahangiri Tazekand, Z.; Mohseni, M.; Mohammadi, M. A.; Sabri, H.

2018-06-01

In this paper, we have considered the energy spectra, quadrupole transition probabilities, energy surface, charge radii, and quadrupole moment of the190Hg nucleus to describe the interplay between phase transitions and configuration mixing of intruder excitations. To this aim, we have used four different formalisms: (i) interacting boson model including configuration mixing, (ii) Z(5) critical symmetry, (iii) U(6)-based transitional Hamiltonian, and (iv) a transitional interacting boson model Hamiltonian in both interacting boson model (IBM)-1 and IBM-2 versions which are based on affine \\widehat{SU(1,1)} Lie algebra. Results show the advantages of configuration mixing and transitional Hamiltonians, in particular IBM-2 formalism, to reproduce the experimental counterparts when the weight of spherical symmetry increased.

Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method

NASA Astrophysics Data System (ADS)

Lim, Jaechang; Choi, Sunghwan; Kim, Jaewook; Kim, Woo Youn

2016-12-01

To assess the performance of multi-configuration methods using exact exchange Kohn-Sham (KS) orbitals, we implemented configuration interaction singles and doubles (CISD) in a real-space numerical grid code. We obtained KS orbitals with the exchange-only optimized effective potential under the Krieger-Li-Iafrate (KLI) approximation. Thanks to the distinctive features of KLI orbitals against Hartree-Fock (HF), such as bound virtual orbitals with compact shapes and orbital energy gaps similar to excitation energies; KLI-CISD for small molecules shows much faster convergence as a function of simulation box size and active space (i.e., the number of virtual orbitals) than HF-CISD. The former also gives more accurate excitation energies with a few dominant configurations than the latter, even with many more configurations. The systematic control of basis set errors is straightforward in grid bases. Therefore, grid-based multi-configuration methods using exact exchange KS orbitals provide a promising new way to make accurate electronic structure calculations.

Morphology and Orientation Selection of Non-metallic Inclusions in Electrified Molten Metal

NASA Astrophysics Data System (ADS)

Zhao, Z. C.; Qin, R. S.

2017-10-01

The effect of electric current on morphology and orientation selection of non-metallic inclusions in molten metal has been investigated using theoretical modeling and numerical calculation. Two geometric factors, namely the circularity ( fc ) and alignment ratio ( fe ) were introduced to describe the inclusions shape and configuration. Electric current free energy was calculated and the values were used to determine the thermodynamic preference between different microstructures. Electric current promotes the development of inclusion along the current direction by either expatiating directional growth or enhancing directional agglomeration. Reconfiguration of the inclusions to reduce the system electric resistance drives the phenomena. The morphology and orientation selection follow the routine to reduce electric free energy. The numerical results are in agreement with our experimental observations.

Task decomposition for a multilimbed robot to work in reachable but unorientable space

NASA Technical Reports Server (NTRS)

Su, Chau; Zheng, Yuan F.

1991-01-01

Robot manipulators installed on legged mobile platforms are suggested for enlarging robot workspace. To plan the motion of such a system, the arm-platform motion coordination problem is raised, and a task decomposition is proposed to solve the problem. A given task described by the destination position and orientation of the end effector is decomposed into subtasks for arm manipulation and for platform configuration, respectively. The former is defined as the end-effector position and orientation with respect to the platform, and the latter as the platform position and orientation in the base coordinates. Three approaches are proposed for the task decomposition. The approaches are also evaluated in terms of the displacements, from which an optimal approach can be selected.

The SOFIA Mission Control System Software

NASA Astrophysics Data System (ADS)

Heiligman, G. M.; Brock, D. R.; Culp, S. D.; Decker, P. H.; Estrada, J. C.; Graybeal, J. B.; Nichols, D. M.; Paluzzi, P. R.; Sharer, P. J.; Pampell, R. J.; Papke, B. L.; Salovich, R. D.; Schlappe, S. B.; Spriestersbach, K. K.; Webb, G. L.

1999-05-01

The Stratospheric Observatory for Infrared Astronomy (SOFIA) will be delivered with a computerized mission control system (MCS). The MCS communicates with the aircraft's flight management system and coordinates the operations of the telescope assembly, mission-specific subsystems, and the science instruments. The software for the MCS must be reliable and flexible. It must be easily usable by many teams of observers with widely differing needs, and it must support non-intrusive access for education and public outreach. The technology must be appropriate for SOFIA's 20-year lifetime. The MCS software development process is an object-oriented, use case driven approach. The process is iterative: delivery will be phased over four "builds"; each build will be the result of many iterations; and each iteration will include analysis, design, implementation, and test activities. The team is geographically distributed, coordinating its work via Web pages, teleconferences, T.120 remote collaboration, and CVS (for Internet-enabled configuration management). The MCS software architectural design is derived in part from other observatories' experience. Some important features of the MCS are: * distributed computing over several UNIX and VxWorks computers * fast throughput of time-critical data * use of third-party components, such as the Adaptive Communications Environment (ACE) and the Common Object Request Broker Architecture (CORBA) * extensive configurability via stored, editable configuration files * use of several computer languages so developers have "the right tool for the job". C++, Java, scripting languages, Interactive Data Language (from Research Systems, Int'l.), XML, and HTML will all be used in the final deliverables. This paper reports on work in progress, with the final product scheduled for delivery in 2001. This work was performed for Universities Space Research Association for NASA under contract NAS2-97001.

MAVEN observations of complex magnetic field configuration in the Martian magnetotail

NASA Astrophysics Data System (ADS)

DiBraccio, G. A.; Luhmann, J. G.; Curry, S.; Espley, J. R.; Gruesbeck, J.; Xu, S.; Mitchell, D. L.; Soobiah, Y. I. J.; Connerney, J. E. P.; Dong, C.; Harada, Y.; Ruhunusiri, S.; Halekas, J. S.; Hara, T.; Ma, Y.; Brain, D.; Jakosky, B. M.

2017-12-01

The magnetosphere of Mars has attributes of both induced and intrinsic magnetospheres, forming as a result of direct solar wind interaction with the planet's upper atmosphere and local crustal magnetic fields. Magnetic reconnection is able to occur between the draped interplanetary magnetic field (IMF) and closed crustal magnetic fields, creating an open field topology with one end attached to the planet and the other flowing in the solar wind. For this reason, the Martian magnetotail becomes a complex menagerie of various field topologies that may contribute to atmospheric escape to space. We explore these magnetic topologies in the Martian magnetotail using a combination of observations from the the Mars Atmosphere Volatile EvolutioN (MAVEN) spacecraft along with magnetohydrodynamic (MHD) simulations. Preliminary MHD results suggest that the central tail contains two lobes composed of open crustal fields, which are twisted by roughly 45°, either clockwise or counterclockwise from the ecliptic plane, in response to the east-west component of the IMF. These simulated open-field lobes are enveloped by an induced comet-like tail formed by the draped IMF. Using two Earth years of data, we analyze MAVEN Magnetometer and Solar Wind Ion Analyzer (SWIA) measurements to assess the tail magnetic field configuration as a function of IMF orientation. We infer, through data-model comparisons, that the open-field tail lobes are likely a result of reconnection between the crustal fields and the IMF. The open topology of these fields may in fact contribute to atmospheric loss to space. This investigation confirms that the Martian magnetotail is a hybrid configuration between intrinsic and induced magnetospheres, shifting the paradigm of Mars' magnetosphere as we have understood it thus far.

Structural analysis of intermolecular interactions in the kinesin adaptor complex fasciculation and elongation protein zeta 1/ short coiled-coil protein (FEZ1/SCOCO).

PubMed

Alborghetti, Marcos Rodrigo; Furlan, Ariane da Silva; da Silva, Júlio César; Sforça, Maurício Luís; Honorato, Rodrigo Vargas; Granato, Daniela Campos; dos Santos Migueleti, Deivid Lucas; Neves, Jorge L; de Oliveira, Paulo Sergio Lopes; Paes-Leme, Adriana Franco; Zeri, Ana Carolina de Mattos; de Torriani, Iris Concepcion Linares; Kobarg, Jörg

2013-01-01

Cytoskeleton and protein trafficking processes, including vesicle transport to synapses, are key processes in neuronal differentiation and axon outgrowth. The human protein FEZ1 (fasciculation and elongation protein zeta 1 / UNC-76, in C. elegans), SCOCO (short coiled-coil protein / UNC-69) and kinesins (e.g. kinesin heavy chain / UNC116) are involved in these processes. Exploiting the feature of FEZ1 protein as a bivalent adapter of transport mediated by kinesins and FEZ1 protein interaction with SCOCO (proteins involved in the same path of axonal growth), we investigated the structural aspects of intermolecular interactions involved in this complex formation by NMR (Nuclear Magnetic Resonance), cross-linking coupled with mass spectrometry (MS), SAXS (Small Angle X-ray Scattering) and molecular modelling. The topology of homodimerization was accessed through NMR (Nuclear Magnetic Resonance) studies of the region involved in this process, corresponding to FEZ1 (92-194). Through studies involving the protein in its monomeric configuration (reduced) and dimeric state, we propose that homodimerization occurs with FEZ1 chains oriented in an anti-parallel topology. We demonstrate that the interaction interface of FEZ1 and SCOCO defined by MS and computational modelling is in accordance with that previously demonstrated for UNC-76 and UNC-69. SAXS and literature data support a heterotetrameric complex model. These data provide details about the interaction interfaces probably involved in the transport machinery assembly and open perspectives to understand and interfere in this assembly and its involvement in neuronal differentiation and axon outgrowth.

Structural Analysis of Intermolecular Interactions in the Kinesin Adaptor Complex Fasciculation and Elongation Protein Zeta 1/ Short Coiled-Coil Protein (FEZ1/SCOCO)

PubMed Central

da Silva, Júlio César; Sforça, Maurício Luís; Honorato, Rodrigo Vargas; Granato, Daniela Campos; dos Santos Migueleti, Deivid Lucas; Neves, Jorge L.; de Oliveira, Paulo Sergio Lopes; Paes-Leme, Adriana Franco; Zeri, Ana Carolina de Mattos; de Torriani, Iris Concepcion Linares; Kobarg, Jörg

2013-01-01

Cytoskeleton and protein trafficking processes, including vesicle transport to synapses, are key processes in neuronal differentiation and axon outgrowth. The human protein FEZ1 (fasciculation and elongation protein zeta 1 / UNC-76, in C. elegans), SCOCO (short coiled-coil protein / UNC-69) and kinesins (e.g. kinesin heavy chain / UNC116) are involved in these processes. Exploiting the feature of FEZ1 protein as a bivalent adapter of transport mediated by kinesins and FEZ1 protein interaction with SCOCO (proteins involved in the same path of axonal growth), we investigated the structural aspects of intermolecular interactions involved in this complex formation by NMR (Nuclear Magnetic Resonance), cross-linking coupled with mass spectrometry (MS), SAXS (Small Angle X-ray Scattering) and molecular modelling. The topology of homodimerization was accessed through NMR (Nuclear Magnetic Resonance) studies of the region involved in this process, corresponding to FEZ1 (92-194). Through studies involving the protein in its monomeric configuration (reduced) and dimeric state, we propose that homodimerization occurs with FEZ1 chains oriented in an anti-parallel topology. We demonstrate that the interaction interface of FEZ1 and SCOCO defined by MS and computational modelling is in accordance with that previously demonstrated for UNC-76 and UNC-69. SAXS and literature data support a heterotetrameric complex model. These data provide details about the interaction interfaces probably involved in the transport machinery assembly and open perspectives to understand and interfere in this assembly and its involvement in neuronal differentiation and axon outgrowth. PMID:24116125

Cross-orientation interactions in human vision.

PubMed

Roeber, Urte; Wong, Elaine M Y; Freeman, Alan W

2008-03-18

Humans can discriminate one visual contour from another on the basis of small differences in orientation. This capability depends on cortical detectors that are selective for a small range of orientations. We have measured this orientation bandwidth and the suppression that helps to shape it, with a reverse correlation technique. Human subjects were presented with a stream of randomly oriented gratings at a rate of 30 per second. Their task was to press a key whenever they saw an orientation nominated as the target. We analyzed the data by finding the probability density of two orientations: One preceded the key-press by the reaction time, and the second preceded the first by up to 100 ms. The results were as follows: (1) One grating facilitated the following one in producing a key-press when the gratings differed little in orientation. The estimate of orientation bandwidth resulting from this facilitation was 38 degrees . (2) A large angle between the two orientations reduced the probability of a key-press. This finding was best modelled as a suppression that did not vary with orientation, consistent with the idea that cross-orientation suppression is non-oriented. (3) Analysis of non-consecutive grating pairs showed that cross-orientation interactions lasted no longer than 67 ms.

The cloud services innovation platform- enabling service-based environmental modelling using infrastructure-as-a-service cloud computing

USDA-ARS?s Scientific Manuscript database

Service oriented architectures allow modelling engines to be hosted over the Internet abstracting physical hardware configuration and software deployments from model users. Many existing environmental models are deployed as desktop applications running on user's personal computers (PCs). Migration ...

Adaptive Modeling Language and Its Derivatives

NASA Technical Reports Server (NTRS)

Chemaly, Adel

2006-01-01

Adaptive Modeling Language (AML) is the underlying language of an object-oriented, multidisciplinary, knowledge-based engineering framework. AML offers an advanced modeling paradigm with an open architecture, enabling the automation of the entire product development cycle, integrating product configuration, design, analysis, visualization, production planning, inspection, and cost estimation.

A Survey of Permanently-Manned Lunar Base Concepts

DTIC Science & Technology

1989-06-01

of warmth and illumination. Heliostat mirr -s direct the solar beam into a periscope-like tunnel. The shape and configuration of the reflector...the tower is continuously oriented toward the sun. Installed on the tower are heliostat mirrors for a solar furnace, a cylindrical collector for lower

Mixing of the lowest-lying qqq configurations with JP =1/2- in different hyperfine interaction models

NASA Astrophysics Data System (ADS)

Chen, Jia; An, Chunsheng; Chen, Hong

2018-02-01

We investigate mixing of the lowest-lying qqq configurations with JP = 1/2- caused by the hyperfine interactions between quarks mediated by Goldstone Boson Exchange, One Gluon Exchange, and both Goldstone Boson and One Gluon exchange, respectively. The first orbitally excited nucleon, Σ, Λ and Ξ states are considered. Contributions of both the contact term and tensor term are taken into account. Our numerical results show that mixing of the studied configurations in the two employed hyperfine interaction models are very different. Therefore, the present results, which should affect the strong and electromagnetic decays of baryon resonances, may be used to examine the present employed hyperfine interaction models. Supported by National Natural Science Foundation of China (11675131,11645002), Chongqing Natural Science Foundation (cstc2015jcyjA00032) and Fundamental Research Funds for the Central Universities (SWU115020)

Polymer translocation in solid-state nanopores: Dependence on hydrodynamic interactions and polymer configuration

NASA Astrophysics Data System (ADS)

Edmonds, Christopher M.; Hesketh, Peter J.; Nair, Sankar

2013-11-01

We present a Brownian dynamics investigation of 3-D Rouse and Zimm polymer translocation through solid-state nanopores. We obtain different scaling exponents α for both polymers using two initial configurations: minimum energy, and 'steady-state'. For forced translocation, Rouse polymers (no hydrodynamic interactions), shows a large dependence of α on initial configuration and voltage. Higher voltages result in crowding at the nanopore exit and reduced α. When the radius of gyration is in equilibrium at the beginning and end of translocation, α = 1 + υ where υ is the Flory exponent. For Zimm polymers (including hydrodynamic interactions), crowding is reduced and α = 2υ. Increased pore diameter does not affect α at moderate voltages that reduce diffusion effects. For unforced translocation using narrow pores, both polymers give α = 1 + 2υ. Due to increased polymer-pore interactions in the narrow pore, hydrodynamic drag effects are reduced, resulting in identical scaling.

Interactions between pyrazole derived enantiomers and Chiralcel OJ: Prediction of enantiomer absolute configurations and elution order by molecular dynamics simulations.

PubMed

Hu, Guixiang; Huang, Meilan; Luo, Chengcai; Wang, Qi; Zou, Jian-Wei

2016-05-01

The separation of enantiomers and confirmation of their absolute configurations is significant in the development of chiral drugs. The interactions between the enantiomers of chiral pyrazole derivative and polysaccharide-based chiral stationary phase cellulose tris(4-methylbenzoate) (Chiralcel OJ) in seven solvents and under different temperature were studied using molecular dynamics simulations. The results show that solvent effect has remarkable influence on the interactions. Structure analysis discloses that the different interactions between two isomers and chiral stationary phase are dependent on the nature of solvents, which may invert the elution order. The computational method in the present study can be used to predict the elution order and the absolute configurations of enantiomers in HPLC separations and therefore would be valuable in development of chiral drugs. Copyright © 2016 Elsevier Inc. All rights reserved.

TIGER: A user-friendly interactive grid generation system for complicated turbomachinery and axis-symmetric configurations

NASA Technical Reports Server (NTRS)

Shih, Ming H.; Soni, Bharat K.

1993-01-01

The issue of time efficiency in grid generation is addressed by developing a user friendly graphical interface for interactive/automatic construction of structured grids around complex turbomachinery/axis-symmetric configurations. The accuracy of geometry modeling and its fidelity is accomplished by adapting the nonuniform rational b-spline (NURBS) representation. A customized interactive grid generation code, TIGER, has been developed to facilitate the grid generation process for complicated internal, external, and internal-external turbomachinery fields simulations. The FORMS Library is utilized to build user-friendly graphical interface. The algorithm allows a user to redistribute grid points interactively on curves/surfaces using NURBS formulation with accurate geometric definition. TIGER's features include multiblock, multiduct/shroud, multiblade row, uneven blade count, and patched/overlapping block interfaces. It has been applied to generate grids for various complicated turbomachinery geometries, as well as rocket and missile configurations.

Precision Pointing Control System (PPCS) system design and analysis. [for gimbaled experiment platforms

NASA Technical Reports Server (NTRS)

Frew, A. M.; Eisenhut, D. F.; Farrenkopf, R. L.; Gates, R. F.; Iwens, R. P.; Kirby, D. K.; Mann, R. J.; Spencer, D. J.; Tsou, H. S.; Zaremba, J. G.

1972-01-01

The precision pointing control system (PPCS) is an integrated system for precision attitude determination and orientation of gimbaled experiment platforms. The PPCS concept configures the system to perform orientation of up to six independent gimbaled experiment platforms to design goal accuracy of 0.001 degrees, and to operate in conjunction with a three-axis stabilized earth-oriented spacecraft in orbits ranging from low altitude (200-2500 n.m., sun synchronous) to 24 hour geosynchronous, with a design goal life of 3 to 5 years. The system comprises two complementary functions: (1) attitude determination where the attitude of a defined set of body-fixed reference axes is determined relative to a known set of reference axes fixed in inertial space; and (2) pointing control where gimbal orientation is controlled, open-loop (without use of payload error/feedback) with respect to a defined set of body-fixed reference axes to produce pointing to a desired target.

Evaluation of helicopter noise due to b blade-vortex interaction for five tip configurations. [conducted in the Langley V/STOL tunnel

NASA Technical Reports Server (NTRS)

Hoad, D. R.

1979-01-01

The effect of tip shape modification on blade vortex interaction induced helicopter blade slap noise was investigated. Simulated flight and descent velocities which have been shown to produce blade slap were tested. Aerodynamic performance parameters of the rotor system were monitored to ensure properly matched flight conditions among the tip shapes. The tunnel was operated in the open throat configuration with treatment to improve the acoustic characteristics of the test chamber. Four promising tips were used along with a standard square tip as a baseline configuration. A detailed acoustic evaluation on the same rotor system of the relative applicability of the various tip configurations for blade slap noise reduction is provided.

Instructionism and Constructivism: Reconciling Two Very Good Ideas

ERIC Educational Resources Information Center

Johnson, Genevieve Marie

2009-01-01

Instructionism refers to educational practices that are teacher-focused, skill-based, product-oriented, non-interactive, and highly prescribed. Constructivism refers to educational practices that are student-focused, meaning-based, process-oriented, interactive, and responsive to student interest. There is disagreement regarding which curricular…

Sibling Relationships of Preschool-Aged Children in Gross Motor Environments.

ERIC Educational Resources Information Center

Erbaugh, Sarah J.; Clifton, Marguerite A.

1984-01-01

The behaviors and interactions of preschool-aged siblings in object-oriented and body-oriented conditions were observed to discover if the child's siblings significantly influenced motor skill development. This study focused on categories of sibling behaviors and interactions. (Author/DF)

Low-frequency Raman modes as fingerprints of layer stacking configurations of transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Liang, Liangbo; Puretzky, Alexander; Sumpter, Bobby; Meunier, Vincent; Geohegan, David; David B. Geohegan Team; Vincent Meunier Team

The tunable optoelectronic properties of stacked two-dimensional (2D) crystal monolayers are determined by their stacking orientation, order, and atomic registry. Atomic-resolution Z-contrast scanning transmission electron microscopy (AR-Z-STEM) can be used to determine the exact atomic registration between different layers in few-layer 2D stacks; however, fast and relatively inexpensive optical characterization techniques are essential for rapid development of the field. Using two- and three-layer MoSe2 and WSe2 crystals synthesized by chemical vapor deposition, we show that the generally unexplored low-frequency (LF) Raman modes (<50 cm-1) that originate from interlayer vibrations can serve as fingerprints to characterize not only the number of layers, but also their stacking configurations [Puretzky and Liang et al, ACS Nano 2015, 9, 6333]. First-principles Raman calculations and group theory analysis corroborate the experimental assignments determined by AR-Z-STEM and show that the calculated LF mode fingerprints are related to the 2D crystal symmetries. Our combined experimental/theoretical work demonstrates the LF Raman modes potentially more effective than HF Raman modes to probe the layer stacking and interlayer interaction for 2D materials. The authors acknowledge support from Eugene P. Wigner Fellowship at the Oak Ridge National Laboratory and the Center for Nanophase Materials Sciences, a DOE Office of Science User Facility.

Local random configuration-tree theory for string repetition and facilitated dynamics of glass

NASA Astrophysics Data System (ADS)

Lam, Chi-Hang

2018-02-01

We derive a microscopic theory of glassy dynamics based on the transport of voids by micro-string motions, each of which involves particles arranged in a line hopping simultaneously displacing one another. Disorder is modeled by a random energy landscape quenched in the configuration space of distinguishable particles, but transient in the physical space as expected for glassy fluids. We study the evolution of local regions with m coupled voids. At a low temperature, energetically accessible local particle configurations can be organized into a random tree with nodes and edges denoting configurations and micro-string propagations respectively. Such trees defined in the configuration space naturally describe systems defined in two- or three-dimensional physical space. A micro-string propagation initiated by a void can facilitate similar motions by other voids via perturbing the random energy landscape, realizing path interactions between voids or equivalently string interactions. We obtain explicit expressions of the particle diffusion coefficient and a particle return probability. Under our approximation, as temperature decreases, random trees of energetically accessible configurations exhibit a sequence of percolation transitions in the configuration space, with local regions containing fewer coupled voids entering the non-percolating immobile phase first. Dynamics is dominated by coupled voids of an optimal group size, which increases as temperature decreases. Comparison with a distinguishable-particle lattice model (DPLM) of glass shows very good quantitative agreements using only two adjustable parameters related to typical energy fluctuations and the interaction range of the micro-strings.

ON THE RELATIONSHIPS OF SUBSTRATE ORIENTATION, HYDROGEN ABSTRACTION AND PRODUCT STEREOCHEMISTRY IN SINGLE AND DOUBLE DIOXYGENATIONS BY SOYBEAN LIPOXYGENASE-1 AND ITS ALA542GLY MUTANT*

PubMed Central

Coffa, Gianguido; Imber, Ann N.; Maguire, Brendan C.; Laxmikanthan, Gurunathan; Schneider, Claus; Gaffney, Betty J.; Brash, Alan R.

2005-01-01

Recent findings associate the control of stereochemistry in lipoxygenase (LOX) catalysis with a conserved active site alanine for S configuration hydroperoxide products, or a corresponding glycine for R stereoconfiguration. To further elucidate the mechanistic basis for this stereocontrol we compared the stereoselectivity of the initiating hydrogen abstraction in soybean LOX-1 and an Ala542Gly mutant that converts linoleic acid to both 13S and 9R configuration hydroperoxide products. Using 11R-3H- and 11S-3H-labeled linoleic acid substrates to examine the initial hydrogen abstraction, we found that all the primary hydroperoxide products were formed with an identical and highly stereoselective proS hydrogen abstraction from C-11 of the substrate (97–99% pro-S selective). This strongly suggests that 9R and 13S oxygenations occur with the same binding orientation of substrate in the active site, and as the equivalent 9R and 13S products were formed from a bulky ester derivative (1-palmitoyl-2-linoleoyl-phosphatidylcholine), one can infer that the orientation is tail-first. Both the EPR spectrum and the reaction kinetics were altered by the R product-inducing Ala-Gly mutation, indicating a substantial influence of this Ala-Gly substitution extending to the environment of the active site iron. To examine also the reversed orientation of substrate binding, we studied oxygenation of the 15S-hydroperoxide of arachidonic acid by the Ala542Gly mutant soybean LOX-1. In addition to the usual 5S,15S- and 8S,15S-dihydroperoxides, a new product was formed and identified by HPLC, UV, GC-MS and NMR as 9R , 1 5 S -dihydroperoxy-eicosa-5Z,7E,11Z,13E-tetraenoic acid, the R configuration “partner” of the normal 5S,15S product. This provides evidence that both tail-first and carboxylate end-first binding of substrate can be associated with S or R partnerships in product formation in the same active site. PMID:16157595

In discourse: Bourdieu's theory of practice and habitus in the context of a communication-oriented nursing interaction model.

PubMed

Sieger, Margot; Fritz, Elfriede; Them, Christa

2012-02-01

This paper presents a discussion on the potential of the theories of practice and habitus as espoused by the sociologist Bourdieu. The interaction between nurses and patients is a constitutive element in the nursing process and a central aspect in the theories developed by Paterson and Zderad, and Orlando. Bourdieu's theory of habitus and practices assists in understanding and explaining differentiated results concerning nurse-patient interaction. In a study on interactions with paraplegic patients, distinguished levels of interactions, which show considerable diversity among one another, could be identified. The data were collected over a period of 20 months in 2004-2006. The results present the central topics of interaction and show that understanding-oriented interaction is rare. Communicative acting in nursing always takes place in a social context. In the interaction with patients, nurses assign a higher distinctive value to the standardized concepts of care facilities than to the actually perceived need of care. An understanding-oriented interaction assumes that the nurses with their own contributions, themes and authorities, prove themselves in the eyes of the patient. It is expected from nurses that they habitualize their own concepts so that they can be represented in a convincing manner. If an understanding-oriented interaction is to extend into the practice of nursing, it is of crucial importance that both interaction partners assure each other how and with what capital their interaction is to be realized. Nurses need professional habitus to become agents in the social field of health. © 2011 Blackwell Publishing Ltd.

An interactive graphics program for manipulation and display of panel method geometry

NASA Technical Reports Server (NTRS)

Hall, J. F.; Neuhart, D. H.; Walkley, K. B.

1983-01-01

Modern aerodynamic panel methods that handle large, complex geometries have made evident the need to interactively manipulate, modify, and view such configurations. With this purpose in mind, the GEOM program was developed. It is a menu driven, interactive program that uses the Tektronix PLOT 10 graphics software to display geometry configurations which are characterized by an abutting set of networks. These networks are composed of quadrilateral panels which are described by the coordinates of their corners. GEOM is divided into fourteen executive controlled functions. These functions are used to build configurations, scale and rotate networks, transpose networks defining M and N lines, graphically display selected networks, join and split networks, create wake networks, produce symmetric images of networks, repanel and rename networks, display configuration cross sections, and output network geometry in two formats. A data base management system is used to facilitate data transfers in this program. A sample session illustrating various capabilities of the code is included as a guide to program operation.

Identifying the control structure of multijoint coordination during pistol shooting.

PubMed

Scholz, J P; Schöner, G; Latash, M L

2000-12-01

The question of degrees of freedom in the control of multijoint movement is posed as the problem of discovering how the motor control system constrains the many possible combinations of joint postures to stabilize task-dependent essential variables. Success at a task can be achieved, in principle, by always adopting a particular joint combination. In contrast, we propose a more selective control strategy: variations of the joint configuration that leave the values of essential task variables unchanged are predicted to be less controlled (i.e., stabilized to a lesser degree) than joint configuration changes that shift the values of the task variables. Our experimental task involved shooting with a laser pistol at a target under four conditions. The seven joint angles of the arm were obtained from the recorded positions of markers on the limb segments. The joint configurations observed at each point in normalized time were analyzed with respect to trial-to-trial variability. Different hypotheses about relevant task variables were used to define sets of joint configurations ("uncontrolled manifolds" or UCMs) that, if realized, would leave essential task variables unchanged. The variability of joint configurations was decomposed into components lying parallel to those sets and components lying in their complement. The orientation of the gun's barrel relative to a vector pointing from the gun to the target was the task variable most successful at showing a difference between the two components of joint variability. This variable determines success at the task. Throughout the movement, not only while the gun was pointing at the target, fluctuations of joint configuration that affected this variable were much reduced compared with fluctuations that did not affect this variable. The UCM principle applied to relative gun orientation thus captures the structure of the motor control system across different parts of joint configuration space as the movement evolves in time. This suggests a specific control strategy in which changes of joint configuration that are irrelevant to success at the task are selectively released from control. By contrast, constraints representing an invariant spatial position of the gun or of the arm's center of mass structured joint configuration variability in the early and mid-portion of the movement trajectory, but not at the time of shooting. This specific control strategy is not trivial, because a target can be hit successfully also by controlling irrelevant directions in joint space equally to relevant ones. The results indicate that the method can be successfully used to determine the structure of coordination in joint space that underlies the control of the essential variables for a given task.

Crossed beam roof target for motion tracking

NASA Technical Reports Server (NTRS)

Olczak, Eugene (Inventor)

2009-01-01

A system for detecting motion between a first body and a second body includes first and second detector-emitter pairs, disposed on the first body, and configured to transmit and receive first and second optical beams, respectively. At least a first optical rotator is disposed on the second body and configured to receive and reflect at least one of the first and second optical beams. First and second detectors of the detector-emitter pairs are configured to detect the first and second optical beams, respectively. Each of the first and second detectors is configured to detect motion between the first and second bodies in multiple degrees of freedom (DOFs). The first optical rotator includes a V-notch oriented to form an apex of an isosceles triangle with respect to a base of the isosceles triangle formed by the first and second detector-emitter pairs. The V-notch is configured to receive the first optical beam and reflect the first optical beam to both the first and second detectors. The V-notch is also configured to receive the second optical beam and reflect the second optical beam to both the first and second detectors.

Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

NASA Astrophysics Data System (ADS)

Dudarev, S. L.; Ma, Pui-Wai

2018-03-01

Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the <111 > direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of <111 > defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a <111 > orientation of the defect.

Theoretical calculations of rotationally inelastic collisions of He with NaK(A {sup 1}Σ{sup +}): Transfer of population, orientation, and alignment

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

Malenda, R. F.; Price, T. J.; Stevens, J.

2015-06-14

We have performed extensive calculations to investigate thermal energy, rotationally inelastic collisions of NaK (A{sup 1}Σ{sup +}) with He. We determined a potential energy surface using a multi-reference configuration interaction wave function as implemented by the GAMESS electronic structure code, and we have performed coupled channel scattering calculations using the Arthurs and Dalgarno formalism. We also calculate the Grawert coefficients B{sub λ}(j, j′) for each j → j′ transition. These coefficients are used to determine the probability that orientation and alignment are preserved in collisions taking place in a cell environment. The calculations include all rotational levels with j ormore » j′ between 0 and 50, and total (translational and rotational) energies in the range 0.0002–0.0025 a.u. (∼44–550 cm{sup −1}). The calculated cross sections for transitions with even values of Δj tend to be larger than those for transitions with odd Δj, in agreement with the recent experiments of Wolfe et al. (J. Chem. Phys. 134, 174301 (2011)). The calculations of the energy dependence of the cross sections and the calculations of the fraction of orientation and alignment preserved in collisions also exhibit distinctly different behaviors for odd and even values of Δj. The calculations also indicate that the average fraction of orientation or alignment preserved in a transition becomes larger as j increases. We interpret this behavior using the semiclassical model of Derouard, which also leads to a simple way of visualizing the distribution of the angles between the initial and final angular momentum vectors j and j′. Finally, we compare the exact quantum results for j → j′ transitions with results based on the simpler, energy sudden approximation. That approximation is shown to be quite accurate.« less

Benefit Assessment for Metroplex Tactical Runway Configuration Management (mTRCM) in a Simulated Environment

NASA Technical Reports Server (NTRS)

Phojanamongkolkij, Nipa; Oseguera-Lohr, Rosa M.; Lohr, Gary W.; Robbins, Steven W.; Fenbert, James W.; Hartman, Christopher L.

2015-01-01

The System-Oriented Runway Management (SORM) concept is a collection of capabilities focused on a more efficient use of runways while considering all of the factors that affect runway use. Tactical Runway Configuration Management (TRCM), one of the SORM capabilities, provides runway configuration and runway usage recommendations, and monitoring the active runway configuration for suitability given existing factors. This report focuses on the metroplex environment, with two or more proximate airports having arrival and departure operations that are highly interdependent. The myriad of factors that affect metroplex opeations require consideration in arriving at runway configurations that collectively best serve the system as a whole. To assess the metroplex TRCM (mTRCM) benefit, the performance metrics must be compared with the actual historical operations. The historical configuration schedules can be viewed as the schedules produced by subject matter experts (SMEs), and therefore are referred to as the SMEs' schedules. These schedules were obtained from the FAA's Aviation System Performance Metrics (ASPM) database; this is the most representative information regarding runway configuration selection by SMEs. This report focused on a benefit assessment of total delay, transit time, and throughput efficiency (TE) benefits using the mTRCM algorithm at representative volumes for today's traffic at the New York metroplex (N90).

Effects of configural processing on the perceptual spatial resolution for face features.

PubMed

Namdar, Gal; Avidan, Galia; Ganel, Tzvi

2015-11-01

Configural processing governs human perception across various domains, including face perception. An established marker of configural face perception is the face inversion effect, in which performance is typically better for upright compared to inverted faces. In two experiments, we tested whether configural processing could influence basic visual abilities such as perceptual spatial resolution (i.e., the ability to detect spatial visual changes). Face-related perceptual spatial resolution was assessed by measuring the just noticeable difference (JND) to subtle positional changes between specific features in upright and inverted faces. The results revealed robust inversion effect for spatial sensitivity to configural-based changes, such as the distance between the mouth and the nose, or the distance between the eyes and the nose. Critically, spatial resolution for face features within the region of the eyes (e.g., the interocular distance between the eyes) was not affected by inversion, suggesting that the eye region operates as a separate 'gestalt' unit which is relatively immune to manipulations that would normally hamper configural processing. Together these findings suggest that face orientation modulates fundamental psychophysical abilities including spatial resolution. Furthermore, they indicate that classic psychophysical methods can be used as a valid measure of configural face processing. Copyright © 2015 Elsevier Ltd. All rights reserved.

Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

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

Gao, Ning; Setyawan, Wahyu; Kurtz, Richard J.

2017-09-01

The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (<600 K), which consists of <110> dumbbells and <111> crowdions in a specific configuration, resulting in an immobile defect. The stability and diffusion of this cluster at higher temperatures is explored. In addition, an anisotropy distribution factor of a particular [hkl] interstitial loop within the family of loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress directionmore » and the orientation of the <111> crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.« less

Analysis of Ninety Degree Flexure Tests for Characterization of Composite Transverse Tensile Strength

NASA Technical Reports Server (NTRS)

OBrien, T. Kevin; Krueger, Ronald

2001-01-01

Finite element (FE) analysis was performed on 3-point and 4-point bending test configurations of ninety degree oriented glass-epoxy and graphite-epoxy composite beams to identify deviations from beam theory predictions. Both linear and geometric non-linear analyses were performed using the ABAQUS finite element code. The 3-point and 4-point bending specimens were first modeled with two-dimensional elements. Three-dimensional finite element models were then performed for selected 4-point bending configurations to study the stress distribution across the width of the specimens and compare the results to the stresses computed from two-dimensional plane strain and plane stress analyses and the stresses from beam theory. Stresses for all configurations were analyzed at load levels corresponding to the measured transverse tensile strength of the material.

Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface

PubMed Central

Javkhlantugs, Namsrai; Bayar, Hexig; Ganzorig, Chimed; Ueda, Kazuyoshi

2013-01-01

Having a theoretical understanding of the orientation of immunoglobulin on an immobilized solid surface is important in biomedical pathogen-detecting systems and cellular analysis. Despite the stable adsorption of immunoglobulin on a polystyrene (PS) surface that has been applied in many kinds of immunoassays, there are many uncertainties in antibody-based clinical and biological experimental methods. To understand the binding mechanism and physicochemical interactions between immunoglobulin and the PS surface at the atomic level, we investigated the binding behavior and interactions of the monoclonal immunoglobulin G (IgG) on the PS surface using the computational method. In our docking simulation with the different arrangement of translational and rotational orientation of IgG onto the PS surface, three typical orientation patterns of the immunoglobulin G on the PS surface were found. We precisely analyzed these orientation patterns and clarified how the immunoglobulin G interacts with the PS surface at atomic scale in the beginning of the adsorption process. Major driving forces for the adsorption of IgG onto the PS surface come from serine (Ser), aspartic acid (Asp), and glutamic acid (Glu) residues. PMID:23874096

The Spiral-Interactive Program Evaluation Model.

ERIC Educational Resources Information Center

Khaleel, Ibrahim Adamu

1988-01-01

Describes the spiral interactive program evaluation model, which is designed to evaluate vocational-technical education programs in secondary schools in Nigeria. Program evaluation is defined; utility oriented and process oriented models for evaluation are described; and internal and external evaluative factors and variables that define each…

Object Oriented Modeling and Design

NASA Technical Reports Server (NTRS)

Shaykhian, Gholam Ali

2007-01-01

The Object Oriented Modeling and Design seminar is intended for software professionals and students, it covers the concepts and a language-independent graphical notation that can be used to analyze problem requirements, and design a solution to the problem. The seminar discusses the three kinds of object-oriented models class, state, and interaction. The class model represents the static structure of a system, the state model describes the aspects of a system that change over time as well as control behavior and the interaction model describes how objects collaborate to achieve overall results. Existing knowledge of object oriented programming may benefit the learning of modeling and good design. Specific expectations are: Create a class model, Read, recognize, and describe a class model, Describe association and link, Show abstract classes used with multiple inheritance, Explain metadata, reification and constraints, Group classes into a package, Read, recognize, and describe a state model, Explain states and transitions, Read, recognize, and describe interaction model, Explain Use cases and use case relationships, Show concurrency in activity diagram, Object interactions in sequence diagram.

"siRNA traffic lights": arabino-configured 2'-anchors for fluorescent dyes are key for dual color readout in cell imaging.

PubMed

Steinmeyer, Jeannine; Walter, Heidi-Kristin; Bichelberger, Mathilde A; Schneider, Violetta; Kubař, Tomáš; Rönicke, Franziska; Olshausen, Bettina; Nienhaus, Karin; Nienhaus, Gerd Ulrich; Schepers, Ute; Elstner, Marcus; Wagenknecht, Hans-Achim

2018-05-23

Two fluorescent dyes covalently attached in diagonal interstrand orientation to siRNA undergo energy transfer and thereby enable a dual color fluorescence readout (red/green) for hybridization. Three different structural variations were carried out and compared by their optical properties, including (i) the base surrogate approach with an acyclic linker as a substitute of the 2-deoxyriboside between the phosphodiester bridges, (ii) the 2'-modification of conventional ribofuranosides and (iii) the arabino-configured 2'-modification. The double stranded siRNA with the latter type of modification delivered the best energy transfer efficiency, which was explained by molecular dynamics simulations that showed that the two dyes are more flexible at the arabino-configured sugars compared to the completely stacked situation at the ribo-configured ones. Single molecule fluorescence lifetime measurements indicate their application in fluorescence cell imaging, which reveals a red/green fluorescence contrast in particular for the arabino-configured 2'-modification by the two dyes, which is key for tracking of siRNA transport into HeLa cells.

What carries a mediation process? Configural analysis of mediation.

PubMed

von Eye, Alexander; Mun, Eun Young; Mair, Patrick

2009-09-01

Mediation is a process that links a predictor and a criterion via a mediator variable. Mediation can be full or partial. This well-established definition operates at the level of variables even if they are categorical. In this article, two new approaches to the analysis of mediation are proposed. Both of these approaches focus on the analysis of categorical variables. The first involves mediation analysis at the level of configurations instead of variables. Thus, mediation can be incorporated into the arsenal of methods of analysis for person-oriented research. Second, it is proposed that Configural Frequency Analysis (CFA) can be used for both exploration and confirmation of mediation relationships among categorical variables. The implications of using CFA are first that mediation hypotheses can be tested at the level of individual configurations instead of variables. Second, this approach leaves the door open for different types of mediation processes to exist within the same set. Using a data example, it is illustrated that aggregate-level analysis can overlook mediation processes that operate at the level of individual configurations.

Flexible configuration-interaction shell-model many-body solver

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

Johnson, Calvin W.; Ormand, W. Erich; McElvain, Kenneth S.

BIGSTICK Is a flexible configuration-Interaction open-source shell-model code for the many-fermion problem In a shell model (occupation representation) framework. BIGSTICK can generate energy spectra, static and transition one-body densities, and expectation values of scalar operators. Using the built-in Lanczos algorithm one can compute transition probabflity distributions and decompose wave functions into components defined by group theory.

Large-scale configuration interaction description of the structure of nuclei around 100Sn and 208Pb

NASA Astrophysics Data System (ADS)

Qi, Chong

2016-08-01

In this contribution I would like to discuss briefly the recent developments of the nuclear configuration interaction shell model approach. As examples, we apply the model to calculate the structure and decay properties of low-lying states in neutron-deficient nuclei around 100Sn and 208Pb that are of great experimental and theoretical interests.

Effects of spatial gradients in thermophysical properties on the topology of turbulence in heated channel flow of supercritical fluids

NASA Astrophysics Data System (ADS)

Azih, Chukwudi; Yaras, Metin I.

2018-01-01

The current literature suggests that large spatial gradients of thermophysical properties, which occur in the vicinity of the pseudo-critical thermodynamic state, may result in significant variations in forced-convection heat transfer rates. Specifically, these property gradients induce inertia- and buoyancy-driven phenomena that may enhance or deteriorate the turbulence-dominated heat convection process. Through direct numerical simulations, the present study investigates the role of coherent flow structures in channel geometries for non-buoyant and buoyant flows of supercritical water, with buoyant configurations involving wall-normal oriented gravitational acceleration and downstream-oriented gravitational acceleration. This sequence of simulations enables the evaluation of the relative contributions of inertial and buoyancy phenomena to heat transfer variations. In these simulations, the state of the working fluid is in the vicinity of the pseudo-critical point. The uniform wall heat flux and the channel mass flux are specified such that the heat to mass flux ratio is 3 kJ/kg, with an inflow Reynolds number of 12 000 based on the channel hydraulic diameter, the area-averaged inflow velocity, and fluid properties evaluated at the bulk temperature and pressure of the inflow plane. In the absence of buoyancy forces, notable reductions in the density and viscosity in close proximity of the heated wall are observed to promote generation of small-scale vortices, with resultant breakdown into smaller scales as they interact with preexisting larger near-wall vortices. This interaction results in a reduction in the overall thermal mixing at particular wall-normal regions of the channel. Under the influence of wall-normal gravitational acceleration, the wall-normal density gradients are noted to enhance ejection motions due to baroclinic vorticity generation on the lower wall, thus providing additional wall-normal thermal mixing. Along the upper wall, the same mechanism generates streamwise vorticity of the opposing sense of rotation in the close vicinity to the respective legs of the hairpin vortices causing a net reduction in thermal mixing. Finally, in the case of downstream-oriented gravitational acceleration, baroclinic vorticity generation as per spanwise density gradients causes additional wall-normal thermal mixing by promoting larger-scale ejection and sweep motions.

The Periodic Table as a Mnemonic Device for Writing Electronic Configurations.

ERIC Educational Resources Information Center

Mabrouk, Suzanne T.

2003-01-01

Presents an interactive method for using the periodic table as an effective mnemonic for writing electronic configurations. Discusses the intrinsic relevance of configurations to chemistry by building upon past analogies. Addresses pertinent background information, describes the hands-on method, and demonstrates its use. Transforms the traditional…

ESL Students' Computer-Mediated Communication Practices: Context Configuration

ERIC Educational Resources Information Center

Shin, Dong-Shin

2006-01-01

This paper examines how context is configured in ESL students' language learning practices through computer-mediated communication (CMC). Specifically, I focus on how a group of ESL students jointly constructed the context of their CMC activities through interactional patterns and norms, and how configured affordances within the CMC environment…

Space Station Freedom - Optimized to support microgravity research and earth observations

NASA Technical Reports Server (NTRS)

Bilardo, Vincent J., Jr.; Herman, Daniel J.

1990-01-01

The Space Station Freedom Program is reviewed, with particular attention given to the Space Station configuration, program elements description, and utilization accommodation. Since plans call for the assembly of the initial SSF configuration over a 3-year time span, it is NASA's intention to perform useful research on it during the assembly process. The research will include microgravity experiments and observational sciences. The specific attributes supporting these attempts are described, such as maintainance of a very low microgravity level and continuous orientation of the vehicle to maintain a stable, accurate local-vertical/local-horizontal attitude.

Fish-robot interactions in a free-swimming environment: Effects of speed and configuration of robots on live fish

NASA Astrophysics Data System (ADS)

Butail, Sachit; Polverino, Giovanni; Phamduy, Paul; Del Sette, Fausto; Porfiri, Maurizio

2014-03-01

We explore fish-robot interactions in a comprehensive set of experiments designed to highlight the effects of speed and configuration of bioinspired robots on live zebrafish. The robot design and movement is inspired by salient features of attraction in zebrafish and includes enhanced coloration, aspect ratio of a fertile female, and carangiform/subcarangiformlocomotion. The robots are autonomously controlled to swim in circular trajectories in the presence of live fish. Our results indicate that robot configuration significantly affects both the fish distance to the robots and the time spent near them.

Method for describing fractures in subterranean earth formations

DOEpatents

Shuck, Lowell Z.

1977-01-01

The configuration and directional orientation of natural or induced fractures in subterranean earth formations are described by introducing a liquid explosive into the fracture, detonating the explosive, and then monitoring the resulting acoustic emissions with strategically placed acoustic sensors as the explosion propagates through the fracture at a known rate.

Spatial Strategies in the Description of Complex Configurations

ERIC Educational Resources Information Center

Tenbrink, Thora; Coventry, Kenny R.; Andonova, Elena

2011-01-01

How people describe complex arrangements of objects in a small-scale setting has not been sufficiently investigated to predict when discourse strategies shift versus remain stable. In a study involving 100 native German participants, we investigated speakers' choices of perspective, as well as location and orientation information, when describing…

Etomica: an object-oriented framework for molecular simulation.

PubMed

Schultz, Andrew J; Kofke, David A

2015-03-30

We describe the design of an object-oriented library of software components that are suitable for constructing simulations of systems of interacting particles. The emphasis of the discussion is on the general design of the components and how they interact, and less on details of the programming interface or its implementation. Example code is provided as an aid to understanding object-oriented programming structures and to demonstrate how the framework is applied. © 2015 Wiley Periodicals, Inc.

Orienting proteins by nanostructured surfaces: evidence of a curvature-driven geometrical resonance.

PubMed

Messina, Grazia M L; Bocchinfuso, Gianfranco; Giamblanco, Nicoletta; Mazzuca, Claudia; Palleschi, Antonio; Marletta, Giovanni

2018-04-26

Experimental and theoretical reports have shown that nanostructured surfaces have a dramatic effect on the amount of protein adsorbed and the conformational state and, in turn, on the performances of the related devices in tissue engineering strategies. Here we report an innovative method to prepare silica-based nanostructured surfaces with a reproducible, well-defined local curvature, consisting of ordered hexagonally packed arrays of curved hemispheres, from nanoparticles of different diameters (respectively 147 nm, 235 nm and 403 nm). The nanostructured surfaces have been made chemically homogeneous by partially embedding silica nanoparticles in poly(hydroxymethylsiloxane) films, further modified by means of UV-O3 treatments. This paper has been focused on the experimental and theoretical study of laminin, taken as a model protein, to study the nanocurvature effects on the protein configuration at nanostructured surfaces. A simple model, based on the interplay of electrostatic interactions between the charged terminal domains of laminin and the nanocurved charged surfaces, closely reproduces the experimental findings. In particular, the model suggests that nanocurvature drives the orientation of rigid proteins by means of a "geometrical resonance" effect, involving the matching of dimensions, charge distribution and spatial arrangement of both adsorbed molecules and adsorbent nanostructures. Overall, the results pave the way to unravel the nanostructured surface effects on the intra- and inter-molecular organization processes of proteins.

The structure of PX3 (X = Cl, Br, I) molecular liquids from X-ray diffraction, molecular dynamics simulations, and reverse Monte Carlo modeling.

PubMed

Pothoczki, Szilvia; Temleitner, László; Pusztai, László

2014-02-07

Synchrotron X-ray diffraction measurements have been conducted on liquid phosphorus trichloride, tribromide, and triiodide. Molecular Dynamics simulations for these molecular liquids were performed with a dual purpose: (1) to establish whether existing intermolecular potential functions can provide a picture that is consistent with diffraction data and (2) to generate reliable starting configurations for subsequent Reverse Monte Carlo modelling. Structural models (i.e., sets of coordinates of thousands of atoms) that were fully consistent with experimental diffraction information, within errors, have been prepared by means of the Reverse Monte Carlo method. Comparison with reference systems, generated by hard sphere-like Monte Carlo simulations, was also carried out to demonstrate the extent to which simple space filling effects determine the structure of the liquids (and thus, also estimating the information content of measured data). Total scattering structure factors, partial radial distribution functions and orientational correlations as a function of distances between the molecular centres have been calculated from the models. In general, more or less antiparallel arrangements of the primary molecular axes that are found to be the most favourable orientation of two neighbouring molecules. In liquid PBr3 electrostatic interactions seem to play a more important role in determining intermolecular correlations than in the other two liquids; molecular arrangements in both PCl3 and PI3 are largely driven by steric effects.

Pulse radiolysis and 77 K matrix. gamma. irradiation of dimethyl truxinates and trans-methyl cinnamate in 2-methyltetrahydrofuran

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

Takamuku, S.; Kigawa, H.; Suematsu, H.

1982-05-13

One-electron reduction of dimethyl ..mu..-truxinate (..mu..-DMT), dimethyl ..beta..-truxinate (..beta..-DMT), and dimethyl ..cap alpha..-truxillate (..cap alpha..-DMT) has been investigated by pulse radiolysis and 77 K matrix ..gamma.. irradiation of the 2-methyltetrahydrofuran solutions. Cycloreversion of the radical anions formed by an electron attachment to these cyclobutanes was observed in all cases, even at 77 K. The orientation of the cycloreversion was dependent on the stereochemistry of the cyclobutanes, and the selectivity was reasonably explained by a so-called cis effect; the best possible release of steric hindrance decides the primary step of the reaction. In 77 K matrix ..gamma.. irradiation of ..cap alpha..-DMT,more » an intense IR absorption was found after the photobleaching of trapped electrons with light > 690 nm. In other DMTs, the IR absorption band was not observed while the cycloreversion of DMT by mobile electrons occurred. Thus, the IR band in the case of ..cap alpha..-DMT was assigned to an associated dimer anion due to the interaction between the radical anion and the neutral molecule pair of trans-methyl cinnamate orginally formed by the cycloreversion of ..cap alpha..-DMT. The dimer anion was presumed to be oriented in a head-to-tail structure in a solvent cage on the basis of the original configuration of ..cap alpha..-DMT.« less

A web-oriented software for the optimization of pooled experiments in NGS for detection of rare mutations.

PubMed

Evangelista, Daniela; Zuccaro, Antonio; Lančinskas, Algirdas; Žilinskas, Julius; Guarracino, Mario R

2016-02-17

The cost per patient of next generation sequencing for detection of rare mutations may be significantly reduced using pooled experiments. Recently, some techniques have been proposed for the planning of pooled experiments and for the optimal allocation of patients into pools. However, the lack of a user friendly resource for planning the design of pooled experiments forces the scientists to do frequent, complex and long computations. OPENDoRM is a powerful collection of novel mathematical algorithms usable via an intuitive graphical user interface. It enables researchers to speed up the planning of their routine experiments, as well as, to support scientists without specific bioinformatics expertises. Users can automatically carry out analysis in terms of costs associated with the optimal allocation of patients in pools. They are also able to choose between three distinct pooling mathematical methods, each of which also suggests the optimal configuration for the submitted experiment. Importantly, in order to keep track of the performed experiments, users can save and export the results of their experiments in standard tabular and charts contents. OPENDoRM is a freely available web-oriented application for the planning of pooled NGS experiments, available at: http://www-labgtp.na.icar.cnr.it/OPENDoRM. Its easy and intuitive graphical user interface enables researchers to plan theirs experiments using novel algorithms, and to interactively visualize the results.

The affective structure of supportive parenting: depressive symptoms, immediate emotions, and child-oriented motivation.

PubMed

Dix, Theodore; Gershoff, Elizabeth T; Meunier, Leah N; Miller, Pamela C

2004-11-01

This study investigated the maternal concerns and emotions that may regulate one form of sensitive parenting, support for children's immediate desires or intentions. While reviewing a videotape of interactions with their 1-year-olds, mothers who varied on depressive symptoms reported concerns and emotions they had during the interaction. Emotions reflected outcomes either to children (child-oriented concerns) or to mothers themselves (parent-oriented concerns). Child-oriented concerns were associated with fewer negative emotions and more supportive behavior. Supportive parenting was high among mothers who experienced high joy and worry and low anger, sadness, and guilt. However, relations depended on whether emotions were child or parent oriented: Supportive behavior occurred more when emotions were child oriented. In addition, as depressive symptoms increased, mothers reported fewer child-oriented concerns, fewer child-oriented positive emotions, and more parent-oriented negative emotions. They also displayed less supportive behavior. Findings suggest that support for children's immediate intentions may be regulated by parents' concerns, immediate emotions, and depressive symptoms. (c) 2004 APA, all rights reserved

Motion-form interactions beyond the motion integration level: Evidence for interactions between orientation and optic flow signals

PubMed Central

Pavan, Andrea; Marotti, Rosilari Bellacosa; Mather, George

2013-01-01

Motion and form encoding are closely coupled in the visual system. A number of physiological studies have shown that neurons in the striate and extrastriate cortex (e.g., V1 and MT) are selective for motion direction parallel to their preferred orientation, but some neurons also respond to motion orthogonal to their preferred spatial orientation. Recent psychophysical research (Mather, Pavan, Bellacosa, & Casco, 2012) has demonstrated that the strength of adaptation to two fields of transparently moving dots is modulated by simultaneously presented orientation signals, suggesting that the interaction occurs at the level of motion integrating receptive fields in the extrastriate cortex. In the present psychophysical study, we investigated whether motion-form interactions take place at a higher level of neural processing where optic flow components are extracted. In Experiment 1, we measured the duration of the motion aftereffect (MAE) generated by contracting or expanding dot fields in the presence of either radial (parallel) or concentric (orthogonal) counterphase pedestal gratings. To tap the stage at which optic flow is extracted, we measured the duration of the phantom MAE (Weisstein, Maguire, & Berbaum, 1977) in which we adapted and tested different parts of the visual field, with orientation signals presented either in the adapting (Experiment 2) or nonadapting (Experiments 3 and 4) sectors. Overall, the results showed that motion adaptation is suppressed most by orientation signals orthogonal to optic flow direction, suggesting that motion-form interactions also take place at the global motion level where optic flow is extracted. PMID:23729767

CMS Configuration Editor: GUI based application for user analysis job

NASA Astrophysics Data System (ADS)

de Cosa, A.

2011-12-01

We present the user interface and the software architecture of the Configuration Editor for the CMS experiment. The analysis workflow is organized in a modular way integrated within the CMS framework that organizes in a flexible way user analysis code. The Python scripting language is adopted to define the job configuration that drives the analysis workflow. It could be a challenging task for users, especially for newcomers, to develop analysis jobs managing the configuration of many required modules. For this reason a graphical tool has been conceived in order to edit and inspect configuration files. A set of common analysis tools defined in the CMS Physics Analysis Toolkit (PAT) can be steered and configured using the Config Editor. A user-defined analysis workflow can be produced starting from a standard configuration file, applying and configuring PAT tools according to the specific user requirements. CMS users can adopt this tool, the Config Editor, to create their analysis visualizing in real time which are the effects of their actions. They can visualize the structure of their configuration, look at the modules included in the workflow, inspect the dependences existing among the modules and check the data flow. They can visualize at which values parameters are set and change them according to what is required by their analysis task. The integration of common tools in the GUI needed to adopt an object-oriented structure in the Python definition of the PAT tools and the definition of a layer of abstraction from which all PAT tools inherit.

Hydrologic properties of coal beds in the Powder River Basin, Montana I. Geophysical log analysis

USGS Publications Warehouse

Morin, R.H.

2005-01-01

As part of a multidisciplinary investigation designed to assess the implications of coal-bed methane development on water resources for the Powder River Basin of southeastern Montana, six wells were drilled through Paleocene-age coal beds along a 31-km east-west transect within the Tongue River drainage basin. Analysis of geophysical logs obtained in these wells provides insight into the hydrostratigraphic characteristics of the coal and interbedded siliciclastic rocks and their possible interaction with the local stress field. Natural gamma and electrical resistivity logs were effective in distinguishing individual coal beds. Full-waveform sonic logs were used to determine elastic properties of the coal and an attendant estimate of aquifer storage is in reasonable agreement with that computed from a pumping test. Inspection of magnetically oriented images of the borehole walls generated from both acoustic and optical televiewers and comparison with coal cores infer a face cleat orientation of approximately N33??E, in close agreement with regional lineament patterns and the northeast trend of the nearby Tongue River. The local tectonic stress field in this physiographic province as inferred from a nearby 1984 earthquake denotes an oblique strike-slip faulting regime with dominant east-west compression and north-south extension. These stress directions are coincident with those of the primary fracture sets identified from the televiewer logs and also with the principle axes of the drawdown ellipse produced from a complementary aquifer test, but oblique to apparent cleat orientation. Consequently, examination of these geophysical logs within the context of local hydrologic characteristics indicates that transverse transmissivity anisotropy in these coals is predominantly controlled by bedding configuration and perhaps a mechanical response to the contemporary stress field rather than solely by cleat structure.

[The influences of interaction during online gaming on sociability and aggression in real life].

PubMed

Fuji, Kei; Yoshida, Fujio

2010-02-01

This study examined the influences of online gaming on sociability and aggression in real life. It was hypothesized that the effects of online gaming would differ depending on the interaction style of the online-gamers. Online-gamers in Japan (n = 1 477) were asked to respond to questionnaires that measured interaction style during online gaming, the effects of sociability and aggression, as well as social and individual orientation in real life. Factor analysis of the scores for interaction style extracted five factors. Covariance structure analysis indicated that sociable interactions such as "Broadening relations" and "Feeling of belonging" promoted sociability in real life. In addition, "Release from daily hassles" promoted sociability and decreased aggression. In contrast, non-sociable and aggressive interactions decreased sociability and increased aggression. The results also suggested that a social orientation in real life promoted sociable interactions during game playing, while an individual orientation promoted non-sociable and aggressive interactions. These results supported the hypotheses and suggested that online gaming resulted in positive outcomes for those who are socially, but negative outcomes for those who are not.

Amino Acid Interaction (INTAA) web server.

PubMed

Galgonek, Jakub; Vymetal, Jirí; Jakubec, David; Vondrášek, Jirí

2017-07-03

Large biomolecules-proteins and nucleic acids-are composed of building blocks which define their identity, properties and binding capabilities. In order to shed light on the energetic side of interactions of amino acids between themselves and with deoxyribonucleotides, we present the Amino Acid Interaction web server (http://bioinfo.uochb.cas.cz/INTAA/). INTAA offers the calculation of the residue Interaction Energy Matrix for any protein structure (deposited in Protein Data Bank or submitted by the user) and a comprehensive analysis of the interfaces in protein-DNA complexes. The Interaction Energy Matrix web application aims to identify key residues within protein structures which contribute significantly to the stability of the protein. The application provides an interactive user interface enhanced by 3D structure viewer for efficient visualization of pairwise and net interaction energies of individual amino acids, side chains and backbones. The protein-DNA interaction analysis part of the web server allows the user to view the relative abundance of various configurations of amino acid-deoxyribonucleotide pairs found at the protein-DNA interface and the interaction energies corresponding to these configurations calculated using a molecular mechanical force field. The effects of the sugar-phosphate moiety and of the dielectric properties of the solvent on the interaction energies can be studied for the various configurations. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Exploring the influence of cultural orientations on assessment of communication behaviours during patient-practitioner interactions.

PubMed

Wilby, Kyle J; Govaerts, Marjan J B; Austin, Zubin; Dolmans, Diana H J M

2017-03-21

Research has shown that patients' and practitioners' cultural orientations affect communication behaviors and interpretations in cross-cultural patient-practitioner interactions. Little is known about the effect of cultural orientations on assessment of communication behaviors in cross-cultural educational settings. The purpose of this study is to explore cultural orientation as a potential source of assessor idiosyncrasy or between-assessor variability in assessment of communication skills. More specifically, we explored if and how (expert) assessors' valuing of communication behaviours aligned with their cultural orientations (power-distance, masculinity-femininity, uncertainty avoidance, and individualism-collectivism). Twenty-five pharmacist-assessors watched 3 videotaped scenarios (patient-pharmacist interactions) and ranked each on a 5-point global rating scale. Videotaped scenarios demonstrated combinations of well-portrayed and borderline examples of instrumental and affective communication behaviours. We used stimulated recall and verbal protocol analysis to investigate assessors' interpretations and evaluations of communication behaviours. Uttered assessments of communication behaviours were coded as instrumental (task-oriented) or affective (socioemotional) and either positive or negative. Cultural orientations were measured using the Individual Cultural Values Scale. Correlations between cultural orientations and global scores, and frequencies of positive, negative, and total utterances of instrumental and affective behaviours were determined. Correlations were found to be scenario specific. In videos with poor or good performance, no differences were found across cultural orientations. When borderline performance was demonstrated, high power-distance and masculinity were significantly associated with higher global ratings (r = .445, and .537 respectively, p < 0.05) as well as with fewer negative utterances regarding instrumental (task focused) behaviours (r = -.533 and - .529, respectively). Higher masculinity scores were furthermore associated with positive utterances of affective (socioemotional) behaviours (r = .441). Our findings thus confirm cultural orientation as a source of assessor idiosyncrasy and meaningful variations in interpretation of communication behaviours. Interestingly, expert assessors generally agreed on scenarios of good or poor performances but borderline performance was influenced by cultural orientation. Contrary to current practices of assessor and assessment instrument standardization, findings support the use of multiple assessors for patient-practitioner interactions and development of qualitative assessment tools to capture these varying, yet valid, interpretations of performance.

Marking Importance in Lectures: Interactive and Textual Orientation

ERIC Educational Resources Information Center

Deroey, Katrien L. B.

2015-01-01

This paper provides a comprehensive overview of lexicogrammatical markers of important lecture points and proposes a classification in terms of their interactive and textual orientation. The importance markers were extracted from the British Academic Spoken English corpus using corpus-driven and corpus-based methods. The classification is based on…

Granger causality--statistical analysis under a configural perspective.

PubMed

von Eye, Alexander; Wiedermann, Wolfgang; Mun, Eun-Young

2014-03-01

The concept of Granger causality can be used to examine putative causal relations between two series of scores. Based on regression models, it is asked whether one series can be considered the cause for the second series. In this article, we propose extending the pool of methods available for testing hypotheses that are compatible with Granger causation by adopting a configural perspective. This perspective allows researchers to assume that effects exist for specific categories only or for specific sectors of the data space, but not for other categories or sectors. Configural Frequency Analysis (CFA) is proposed as the method of analysis from a configural perspective. CFA base models are derived for the exploratory analysis of Granger causation. These models are specified so that they parallel the regression models used for variable-oriented analysis of hypotheses of Granger causation. An example from the development of aggression in adolescence is used. The example shows that only one pattern of change in aggressive impulses over time Granger-causes change in physical aggression against peers.

A printed, dry electrode Frank configuration vest for ambulatory vectorcardiographic monitoring

NASA Astrophysics Data System (ADS)

Paul, Gordon; Torah, Russel; Beeby, Steve; Tudor, John

2017-02-01

This paper describes the design and fabrication of a screen printed network of bio-potential measurement electrodes on a garment, in this case a vest. The electrodes are placed according to the Frank configuration, which allows monitoring of the electrical behavior of the heart in three spatial orientations. The vest is designed to provide stable contact pressure on the electrodes. The electrodes are fabricated from stencil printed carbon loaded rubber and are connected by screen printed silver polymer conductive tracks to an array of vias, which form an electrical connection to the other side of the textile. The vest is tested and compared to Frank configuration recordings that were obtained using standard self-adhesive ECG electrodes. The vest was successfully used to obtain Frank configuration recordings with minimal baseline drift. The vest is fabricated using only technologies found in standard textile production lines and can be used with a reduced setup effort compared to clinical 12-lead examinations.

Spin reorientation of a nonsymmetric body with energy dissipation

NASA Technical Reports Server (NTRS)

Cenker, R. J.

1973-01-01

Stable rotating semi-rigid bodies were demonstrated analytically, and verified in flights such as Explorer 1 and ATS-5 satellites. The problem arises from the two potential orientations which the final spin vector can take after large angle reorientation from minor to major axis, i.e., along the positive or negative axis of the maximum inertia. Reorientation of a satellite initially spinning about the minor axis using an energy dissipation device may require that the final spin orientation be controlled. Examples of possible applications are the Apogee Motor Assembly with Paired Satellites (AMAPS) configuration, where proper orientation of the thruster is required; and reorientation of ATS-5, where the spin sensitive nature of the despin device (yo-yo mechanism) requires that the final spin vector point is a specified direction.

Stress dependence of the Raman spectrum of polycrystalline barium titanate in presence of localized domain texture

NASA Astrophysics Data System (ADS)

Sakashita, Tatsuo; Deluca, Marco; Yamamoto, Shinsuke; Chazono, Hirokazu; Pezzotti, Giuseppe

2007-06-01

The stress dependence of the Raman spectrum of polycrystalline barium titanate (BaTiO3, BT) ceramics has been examined with microprobe polarized Raman spectroscopy. The angular dependence of the Raman spectrum of the tetragonal BT crystal has been theoretically established, enabling us to assess the stress dependence of selected spectral modes without the influence of crystallographic domain orientation. Upon considering the frequency shift of selected Raman modes as a function of orientation between the crystallographic axis and the polarization vector of incident and scattered light, a suitable instrumental configuration has been selected, which allowed a direct residual stress measurement according to a modified piezospectroscopic procedure. The analysis is based on the selection of mixed photostimulated spectral modes in two perpendicular angular orientations.

Navigation assistance: a trade-off between wayfinding support and configural learning support.

PubMed

Münzer, Stefan; Zimmer, Hubert D; Baus, Jörg

2012-03-01

Current GPS-based mobile navigation assistance systems support wayfinding, but they do not support learning about the spatial configuration of an environment. The present study examined effects of visual presentation modes for navigation assistance on wayfinding accuracy, route learning, and configural learning. Participants (high-school students) visited a university campus for the first time and took a predefined assisted tour. In Experiment 1 (n = 84, 42 females), a presentation mode showing wayfinding information from eye-level was contrasted with presentation modes showing wayfinding information included in views that provided comprehensive configural information. In Experiment 2 (n = 48, 24 females), wayfinding information was included in map fragments. A presentation mode which always showed north on top of the device was compared with a mode which rotated according to the orientation of the user. Wayfinding accuracy (deviations from the route), route learning, and configural learning (direction estimates, sketch maps) were assessed. Results indicated a trade-off between wayfinding and configural learning: Presentation modes providing comprehensive configural information supported the acquisition of configural knowledge at the cost of accurate wayfinding. The route presentation mode supported wayfinding at the cost of configural knowledge acquisition. Both presentation modes based on map fragments supported wayfinding. Individual differences in visual-spatial working memory capacity explained a considerable portion of the variance in wayfinding accuracy, route learning, and configural learning. It is concluded that learning about an unknown environment during assisted navigation is based on the integration of spatial information from multiple sources and can be supported by appropriate visualization. PsycINFO Database Record (c) 2012 APA, all rights reserved.

Molecular simulation of CH4/CO2/H2O competitive adsorption on low rank coal vitrinite.

PubMed

Yu, Song; Bo, Jiang; Wu, Li

2017-07-21

The competitive adsorptions of CH 4 /CO 2 /H 2 O on coal vitrinite (DV-8, C 214 H 180 O 24 N 2 ) were computed based on density function theory (DFT) and grand canonical Monte Carlo (GCMC). The adsorption process reaches the saturation state after adsorbing 17 CH 4 s, 22 CO 2 s, and 35 H 2 Os per C 214 H 180 O 24 N 2 respectively. The optimal configurations of CH 4 -vitrinite, CO 2 -vitrinite, and H 2 O-vitrinite respectively manifest as aromatic 1 /T 2 /rT 3 (1 adsorption location, 2 adsorption sites and T here represents sites above the carbon atom and the heteroatom, 3 adsorption orientation and rT here means the orientations of three hydrogen atoms pointing to vitrinite), aromatic/T/v (v represents the orientations perpendicular to the plane of vitrinite), and aromatic/rV/T (rV represents an oxygen atom pointing to the vitrinite surface). The GCMC results show that high temperature is not conducive to the vitrinite's adsorption of adsorbates and the adsorption capacity order is H 2 O > CO 2 > CH 4 (263-363 K) in the one-component, binary, and ternary adsorbate systems. The optimal configurations of vitrinite are similar to graphite/graphene, while ΔE is significantly lower than graphite/graphene. Simulation data are in good agreement with the experimental results.

The Mohr-Coulomb criterion for intact rock strength and friction - a re-evaluation and consideration of failure under polyaxial stresses

NASA Astrophysics Data System (ADS)

Hackston, A.; Rutter, E.

2015-12-01

Abstract Darley Dale and Pennant sandstones were tested under conditions of both axisymmetric shortening and extension normal to bedding. These are the two extremes of loading under polyaxial stress conditions. Failure under generalized stress conditions can be predicted from the Mohr-Coulomb failure criterion under axisymmetric compression conditions provided the best form of polyaxial failure criterion is known. The sandstone data are best reconciled using the Mogi (1967) empirical criterion. Fault plane orientations produced vary greatly with respect to the maximum compression direction in the two loading configurations. The normals to the Mohr-Coulomb failure envelopes do not predict the orientations of the fault planes eventually produced. Frictional sliding on variously inclined sawcuts and failure surfaces produced in intact rock samples was also investigated. Friction coefficient is not affected by fault plane orientation in a given loading configuration, but friction coefficients in extension were systematically lower than in compression for both rock types and could be reconciled by a variant on the Mogi (1967) failure criterion. Friction data for these and other porous sandstones accord well with the Byerlee (1977) generalization about rock friction being largely independent of rock type. For engineering and geodynamic modelling purposes, the stress-state dependent friction coefficient should be used for sandstones, but it is not known to what extent this might apply to other rock types.

Directionally compliant legs influence the intrinsic pitch behaviour of a trotting quadruped

PubMed Central

Lee, David V; Meek, Sanford G

2005-01-01

Limb design is well conserved among quadrupeds, notably, the knees point forward (i.e. cranial inclination of femora) and the elbows point back (i.e. caudal inclination of humeri). This study was undertaken to examine the effects of joint orientation on individual leg forces and centre of mass dynamics. Steady-speed trotting was simulated in two quadrupedal models. Model I had the knee and elbow orientation of a quadruped and model II had a reversed leg configuration in which knees point back and elbows point forward. The model's legs showed directional compliance determined by the orientation of the knee/elbow. In both models, forward pointing knees/elbows produced a propulsive force bias, while rearward pointing knees/elbows produced a braking force bias. Hence, model I showed the same pattern of hind-leg propulsion and fore-leg braking observed in trotting animals. Simulations revealed minimal pitch oscillations during steady-speed trotting of model I, but substantially greater and more irregular pitch oscillations of model II. The reduced pitch oscillation of model I was a result of fore-leg and hind-leg forces that reduced pitching moments during early and late stance, respectively. This passive mechanism for reducing pitch oscillations was an emergent property of directionally compliant legs with the fore–hind configuration of model I. Such intrinsic stability resulting from mechanical design can simplify control tasks and lead to more robust running machines. PMID:15817430

Control of shock-wave boundary layer interaction using steady micro-jets

NASA Astrophysics Data System (ADS)

Verma, S. B.; Manisankar, C.; Akshara, P.

2015-09-01

An experimental investigation was conducted to control the amplitude of shock unsteadiness associated with the interaction induced by a cylindrical protuberance on a flat plate in a Mach 2.18 flow. The control was applied in the form of an array of steady micro air-jets of different configurations with variation in pitch and skew angle of the jets. The effect of air-jet supply pressure on control was also studied. Each of the micro-jet configurations was placed 20 boundary layer thicknesses upstream of the leading edge of the cylinder. The overall interaction is seen to get modified for all control configurations and shows a reduction in both separation- and bow-shock strengths and in triple-point height. A significant reduction in the peak rms value is also observed in the intermittent region of separation for each case. For pitched jets placed in a zig-zag configuration, good control effectiveness is achieved at control pressures similar to the stagnation pressure of the freestream. At higher control pressures, however, their obstruction component increases and if these jets are not spaced sufficiently far apart, the effectiveness of their control begins to drop due to the beginning of spanwise jet-to-jet interaction. On the other hand, pitching or skewing the jets to reduces the obstruction component considerably which at lower control pressures shows lower effectiveness. But at higher control pressure, the effectiveness of these configurations continues to increase unlike the pitched jets.

Interactive visual optimization and analysis for RFID benchmarking.

PubMed

Wu, Yingcai; Chung, Ka-Kei; Qu, Huamin; Yuan, Xiaoru; Cheung, S C

2009-01-01

Radio frequency identification (RFID) is a powerful automatic remote identification technique that has wide applications. To facilitate RFID deployment, an RFID benchmarking instrument called aGate has been invented to identify the strengths and weaknesses of different RFID technologies in various environments. However, the data acquired by aGate are usually complex time varying multidimensional 3D volumetric data, which are extremely challenging for engineers to analyze. In this paper, we introduce a set of visualization techniques, namely, parallel coordinate plots, orientation plots, a visual history mechanism, and a 3D spatial viewer, to help RFID engineers analyze benchmark data visually and intuitively. With the techniques, we further introduce two workflow procedures (a visual optimization procedure for finding the optimum reader antenna configuration and a visual analysis procedure for comparing the performance and identifying the flaws of RFID devices) for the RFID benchmarking, with focus on the performance analysis of the aGate system. The usefulness and usability of the system are demonstrated in the user evaluation.

A unified account of tilt illusions, association fields, and contour detection based on elastica.

PubMed

Keemink, Sander W; van Rossum, Mark C W

2016-09-01

As expressed in the Gestalt law of good continuation, human perception tends to associate stimuli that form smooth continuations. Contextual modulation in primary visual cortex, in the form of association fields, is believed to play an important role in this process. Yet a unified and principled account of the good continuation law on the neural level is lacking. In this study we introduce a population model of primary visual cortex. Its contextual interactions depend on the elastica curvature energy of the smoothest contour connecting oriented bars. As expected, this model leads to association fields consistent with data. However, in addition the model displays tilt-illusions for stimulus configurations with grating and single bars that closely match psychophysics. Furthermore, the model explains not only pop-out of contours amid a variety of backgrounds, but also pop-out of single targets amid a uniform background. We thus propose that elastica is a unifying principle of the visual cortical network. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Flexoelectro-optic effect and two-beam energy exchange in a hybrid photorefractive cholesteric cell with a short-pitch horizontal helix

NASA Astrophysics Data System (ADS)

Reshetnyak, V. Yu.; Pinkevych, I. P.; Evans, D. R.

2018-06-01

We develop a theoretical model to describe two-beam energy exchange in a hybrid photorefractive cholesteric cell with a short-pitch helix oriented parallel to the cell substrates (so-called uniformly lying helix configuration). Weak and strong light beams incident on the hybrid cell interfere and induce a periodic space-charge field in the photorefractive substrate of the cell, which penetrates into the cholesteric liquid crystal (LC). Due to the flexoelectro-optic effect an interaction of the photorefractive field with the LC flexopolarization causes the spatially periodic modulation of the helix axis in the plane parallel to the cell substrates. Coupling of a weak signal beam with a strong pump beam at the LC permittivity grating, induced by the periodically tilted helix axis, leads to the energy gain of the weak signal beam. Dependence of the signal beam gain coefficient on the parameters of the short-pitch cholesteric LC is studied.

Global alliances effect in coalition forming

NASA Astrophysics Data System (ADS)

Vinogradova, Galina; Galam, Serge

2014-11-01

Coalition forming is investigated among countries, which are coupled with short range interactions, under the influence of externally-set opposing global alliances. The model extends a recent Natural Model of coalition forming inspired from Statistical Physics, where instabilities are a consequence of decentralized maximization of the individual benefits of actors. In contrast to physics where spins can only evaluate the immediate cost/benefit of a flip of orientation, countries have a long horizon of rationality, which associates with the ability to envision a way up to a better configuration even at the cost of passing through intermediate loosing states. The stabilizing effect is produced through polarization by the global alliances of either a particular unique global interest factor or multiple simultaneous ones. This model provides a versatile theoretical tool for the analysis of real cases and design of novel strategies. Such analysis is provided for several real cases including the Eurozone. The results shed a new light on the understanding of the complex phenomena of planned stabilization in the coalition forming.

Magnetic monopole dynamics in spin ice.

PubMed

Jaubert, L D C; Holdsworth, P C W

2011-04-27

One of the most remarkable examples of emergent quasi-particles is that of the 'fractionalization' of magnetic dipoles in the low energy configurations of materials known as 'spin ice' into free and unconfined magnetic monopoles interacting via Coulomb's 1/r law (Castelnovo et al 2008 Nature 451 42-5). Recent experiments have shown that a Coulomb gas of magnetic charges really does exist at low temperature in these materials and this discovery provides a new perspective on otherwise largely inaccessible phenomenology. In this paper, after a review of the different spin ice models, we present detailed results describing the diffusive dynamics of monopole particles starting both from the dipolar spin ice model and directly from a Coulomb gas within the grand canonical ensemble. The diffusive quasi-particle dynamics of real spin ice materials within the 'quantum tunnelling' regime is modelled with Metropolis dynamics, with the particles constrained to move along an underlying network of oriented paths, which are classical analogues of the Dirac strings connecting pairs of Dirac monopoles.

Cytoskeletal Dynamics and Fluid Flow in Drosophila Oocytes

NASA Astrophysics Data System (ADS)

de Canio, Gabriele; Goldstein, Raymond; Lauga, Eric

2015-11-01

The biological world includes a broad range of phenomena in which transport in a fluid plays a central role. Among these is the fundamental issue of cell polarity arising during development, studied historically using the model organism Drosophila melanogaster. The polarity of the oocyte is known to be induced by the translocation of mRNAs by kinesin motor proteins along a dense microtubule cytoskeleton, a process which also induces cytoplasmic streaming. Recent experimental observations have revealed the remarkable fluid-structure interactions that occur as the streaming flows back-react on the microtubules. In this work we use a combination of theory and simulations to address the interplay between the fluid flow and the configuration of cytoskeletal filaments leading to the directed motion inside the oocyte. We show in particular that the mechanical coupling between the fluid motion and the orientation of the microtubules can lead to a transition to coherent motion within the oocyte, as observed. Supported by EPSRC and ERC Advanced Investigator Grant 247333.

Nonadiabatic Photodynamics of a Retinal Model in Polar and Nonpolar Environment

PubMed Central

2013-01-01

The nonadiabatic photodynamics of the all-trans-2,4-pentadiene-iminium cation (protonated Schiff base 3, PSB3) and the all-trans-3-methyl-2,4-pentadiene-iminium cation (MePSB3) were investigated in the gas phase and in polar (aqueous) and nonpolar (n-hexane) solutions by means of surface hopping using a multireference configuration-interaction (MRCI) quantum mechanical/molecular mechanics (QM/MM) level. Spectra, lifetimes for radiationless deactivation to the ground state, and structural and electronic parameters are compared. A strong influence of the polar solvent on the location of the crossing seam, in particular in the bond length alternation (BLA) coordinate, is found. Additionally, inclusion of the polar solvent changes the orientation of the intersection cone from sloped in the gas phase to peaked, thus enhancing considerably its efficiency for deactivation of the molecular system to the ground state. These factors cause, especially for MePSB3, a substantial decrease in the lifetime of the excited state despite the steric inhibition by the solvent. PMID:23470211

Detection of layup errors in prepreg laminates using shear ultrasonic waves

NASA Astrophysics Data System (ADS)

Hsu, David K.; Fischer, Brent A.

1996-11-01

The highly anisotropic elastic properties of the plies in a composite laminate manufactured from unidirectional prepregs interact strongly with the polarization direction of shear ultrasonic waves propagating through its thickness. The received signals in a 'crossed polarizer' transmission configuration are particularly sensitive to ply orientation and layup sequence in a laminate. Such measurements can therefore serve as an NDE tool for detecting layup errors. For example, it was shown experimentally recently that the sensitivity for detecting the presence of misoriented plies is better than one ply out of a 48-ply laminate of graphite epoxy. A physical model based on the decomposition and recombination of the shear polarization vector has been constructed and used in the interpretation and prediction of test results. Since errors should be detected early in the manufacturing process, this work also addresses the inspection of 'green' composite laminates using electromagnetic acoustic transducers (EMAT). Preliminary results for ply error detection obtained with EMAT probes are described.

Simulation of Orientation in Injection Molding of High Aspect Ratio Particle Thermoplastic Composites

NASA Astrophysics Data System (ADS)

Vélez-García, Gregorio M.; Ortman, Kevin C.; Eberle, Aaron P. R.; Wapperom, Peter; Baird, Donald G.

2008-07-01

A 2D coupled Hele-Shaw flow approximation for predicting the flow-induced orientation of high aspect ratio particles in injection molded composite parts is presented. For a highly concentrated short glass fiber PBT suspension, the impact of inter-particle interactions and the orientation at the gate is investigated for a center-gated disk using material parameters determined from rheometry. Experimental orientation is determined from confocal laser micrographs using the methods of ellipses. The constitutive equations are discretized using discontinuous Galerkin Finite Elements. Model predictions are significantly improved by using a localized orientation measured experimentally at the gate region instead of random or averaged gapwise measured orientation assumed in previous studies. The predicted profile in different radial positions can be related to the layered structure along the gapwise direction. Model modifications including interactions have lower impact than the initial conditions.

The internal representation of head orientation differs for conscious perception and balance control

PubMed Central

Dalton, Brian H.; Rasman, Brandon G.; Inglis, J. Timothy

2017-01-01

Key points We tested perceived head‐on‐feet orientation and the direction of vestibular‐evoked balance responses in passively and actively held head‐turned postures.The direction of vestibular‐evoked balance responses was not aligned with perceived head‐on‐feet orientation while maintaining prolonged passively held head‐turned postures. Furthermore, static visual cues of head‐on‐feet orientation did not update the estimate of head posture for the balance controller.A prolonged actively held head‐turned posture did not elicit a rotation in the direction of the vestibular‐evoked balance response despite a significant rotation in perceived angular head posture.It is proposed that conscious perception of head posture and the transformation of vestibular signals for standing balance relying on this head posture are not dependent on the same internal representation. Rather, the balance system may operate under its own sensorimotor principles, which are partly independent from perception. Abstract Vestibular signals used for balance control must be integrated with other sensorimotor cues to allow transformation of descending signals according to an internal representation of body configuration. We explored two alternative models of sensorimotor integration that propose (1) a single internal representation of head‐on‐feet orientation is responsible for perceived postural orientation and standing balance or (2) conscious perception and balance control are driven by separate internal representations. During three experiments, participants stood quietly while passively or actively maintaining a prolonged head‐turned posture (>10 min). Throughout the trials, participants intermittently reported their perceived head angular position, and subsequently electrical vestibular stimuli were delivered to elicit whole‐body balance responses. Visual recalibration of head‐on‐feet posture was used to determine whether static visual cues are used to update the internal representation of body configuration for perceived orientation and standing balance. All three experiments involved situations in which the vestibular‐evoked balance response was not orthogonal to perceived head‐on‐feet orientation, regardless of the visual information provided. For prolonged head‐turned postures, balance responses consistent with actual head‐on‐feet posture occurred only during the active condition. Our results indicate that conscious perception of head‐on‐feet posture and vestibular control of balance do not rely on the same internal representation, but instead treat sensorimotor cues in parallel and may arrive at different conclusions regarding head‐on‐feet posture. The balance system appears to bypass static visual cues of postural orientation and mainly use other sensorimotor signals of head‐on‐feet position to transform vestibular signals of head motion, a mechanism appropriate for most daily activities. PMID:28035656

The effect of precipitation on the evolution of recrystallization textures in an AA 8011 aluminum alloy sheet

NASA Astrophysics Data System (ADS)

Ryu, Jong-Ho; Lee, Yoon-Soo; Lee, Dong Nyung

2001-06-01

The texture of an AA 8011 aluminum alloy sheet cold rolled by 95% showed a typical β-fiber, which runs from the copper orientation [C={112}<111>] over S [{123}<634>] to brass [B={011}<112>]. The development of annealing textures depended on annealing temperatures due to the interaction between precipitation and recrystallization. Upon annealing at a low temperature of 275°C, precipitation took place before recrystallization. This led to a weak recrystallization texture consisting of {011}<122>, {001˜<100>, and {hk0}<001>, among which the {011}<122> orientation developed near large FeAl3 particles as the main orientation and the cube [{001}<100>] orientation originating from the matrix was relatively weak. After annealing at 350 and 500°C, a strong cube texture developed along with a weak {011}<122> orientation. When the cube orientation developed, the copper orientation disappeared most rapidly. These results were discussed based on the interaction between precipitation and recrystallization.

Interaction of birth order, handedness, and sexual orientation in the Kinsey interview data.

PubMed

Bogaert, Anthony F; Blanchard, Ray; Crosthwait, Lesley E

2007-10-01

Recent evidence indicates that 2 of the most consistently observed correlates of men's sexual orientation--handedness and older brothers--may be linked interactively in their prediction of men's sexual orientation. In this article, the authors studied the relationship among handedness, older brothers, and men's sexual orientation in the large and historically significant database originally compiled by Alfred C. Kinsey and his colleagues (A. C. Kinsey, W. B. Pomeroy, & C. E. Martin, 1948). The results demonstrated that handedness moderates the relationship between older brothers and sexual orientation. Specifically, older brothers increased the odds of homosexuality in right-handers only; in non-righthanders, older brothers did not affect the odds of homosexuality. These results refine the possible biological explanations reported to underlie both the handedness and older brother relationships to men's sexual orientation. These results also suggest that biological explanations of men's sexual orientation are likely relevant across time, as the Kinsey data comprise an older cohort relative to modern samples. (PsycINFO Database Record (c) 2007 APA, all rights reserved).