Improving aircraft conceptual design - A PHIGS interactive graphics interface for ACSYNT

NASA Technical Reports Server (NTRS)

Wampler, S. G.; Myklebust, A.; Jayaram, S.; Gelhausen, P.

1988-01-01

A CAD interface has been created for the 'ACSYNT' aircraft conceptual design code that permits the execution and control of the design process via interactive graphics menus. This CAD interface was coded entirely with the new three-dimensional graphics standard, the Programmer's Hierarchical Interactive Graphics System. The CAD/ACSYNT system is designed for use by state-of-the-art high-speed imaging work stations. Attention is given to the approaches employed in modeling, data storage, and rendering.

Starting research in interaction design with visuals for low-functioning children in the autistic spectrum: a protocol.

PubMed

Parés, Narcís; Carreras, Anna; Durany, Jaume; Ferrer, Jaume; Freixa, Pere; Gómez, David; Kruglanski, Orit; Parés, Roc; Ribas, J Ignasi; Soler, Miquel; Sanjurjo, Alex

2006-04-01

On starting to think about interaction design for low-functioning persons in the autistic spectrum (PAS), especially children, one finds a number of questions that are difficult to answer: Can we typify the PAS user? Can we engage the user in interactive communication without generating frustrating or obsessive situations? What sort of visual stimuli can we provide? Will they prefer representational or abstract visual stimuli? Will they understand three-dimensional (3D) graphic representation? What sort of interfaces will they accept? Can we set ambitious goals such as education or therapy? Unfortunately, most of these questions have no answer yet. Hence, we decided to set an apparently simple goal: to design a "fun application," with no intention to reach the level of education or therapy. The goal was to be attained by giving the users a sense of agency--by providing first a sense of control in the interaction dialogue. Our approach to visual stimuli design has been based on the use of geometric, abstract, two-dimensional (2D), real-time computer graphics in a full-body, non-invasive, interactive space. The results obtained within the European-funded project MultiSensory Environment Design for an Interface between Autistic and Typical Expressiveness (MEDIATE) have been extremely encouraging.

Three dimensional contact/impact methodology

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

Kulak, R.F.

1987-01-01

The simulation of three-dimensional interface mechanics between reactor components and structures during static contact or dynamic impact is necessary to realistically evaluate their structural integrity to off-normal loads. In our studies of postulated core energy release events, we have found that significant structure-structure interactions occur in some reactor vessel head closure designs and that fluid-structure interactions occur within the reactor vessel. Other examples in which three-dimensional interface mechanics play an important role are: (1) impact response of shipping casks containing spent fuel, (2) whipping pipe impact on reinforced concrete panels or pipe-to-pipe impact after a pipe break, (3) aircraft crashmore » on secondary containment structures, (4) missiles generated by turbine failures or tornados, and (5) drops of heavy components due to lifting accidents. The above is a partial list of reactor safety problems that require adequate treatment of interface mechanics and are discussed in this paper.« less

Impact of Graphene-Metal Interfaces on the Raman and Transport Properties of Graphene Devices

NASA Astrophysics Data System (ADS)

Hsu, Allen; Hofmann, Mario; Fang, Wenjing; Kimg, Ki Kang; Kong, Jing; Palacios, Tomas

2012-02-01

Graphene is an amazing nano-material with many exciting properties and applications. However, due to its low dimensionality, the performance of this material is mainly limited by interfaces and surface properties. One of these interfaces, important for graphene field effect transistors and catalysts supported on graphene membranes, is that between the graphene and a metal layer. In this study, we experimentally examine the impact of various metals on graphene through Raman and Transmission Electron Microscopy. We find that strong graphene-metal interactions have significant impacts on the phonon structure in graphene. Furthermore, we observe changes in our Raman spectra relating to the crystallographic orientation between a metal and graphene.

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

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

Fechter, Stefan, E-mail: stefan.fechter@iag.uni-stuttgart.de; Munz, Claus-Dieter, E-mail: munz@iag.uni-stuttgart.de; Rohde, Christian, E-mail: Christian.Rohde@mathematik.uni-stuttgart.de

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevantmore » physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.« less

Constructing hierarchical interfaces: TiO 2-supported PtFe-FeO x nanowires for room temperature CO oxidation

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

Zhu, Huiyuan; Wu, Zili; Dong, Su

2015-08-05

This is a report of a facile approach to constructing catalytic active hierarchical interfaces in one-dimensional (1D) nanostructure, exemplified by the synthesis of TiO 2-supported PtFe–FeO x nanowires (NWs). The hierarchical interface, constituting atomic level interactions between PtFe and FeO x within each NW and the interactions between NWs and support (TiO 2), enables CO oxidation with 100% conversion at room temperature. We identify the role of the two interfaces by probing the CO oxidation reaction with isotopic labeling experiments. Both the oxygen atoms (Os) in FeO x and TiO 2 participate in the initial CO oxidation, facilitating the reactionmore » through a redox pathway. Moreover, the intact 1D structure leads to the high stability of the catalyst. After 30 h in the reaction stream, the PtFe–FeO x/TiO2 catalyst exhibits no activity decay. These results provide a general approach and new insights into the construction of hierarchical interfaces for advanced catalysis.« less

Guide to the Revised Ground-Water Flow and Heat Transport Simulator: HYDROTHERM - Version 3

USGS Publications Warehouse

Kipp, Kenneth L.; Hsieh, Paul A.; Charlton, Scott R.

2008-01-01

The HYDROTHERM computer program simulates multi-phase ground-water flow and associated thermal energy transport in three dimensions. It can handle high fluid pressures, up to 1 ? 109 pascals (104 atmospheres), and high temperatures, up to 1,200 degrees Celsius. This report documents the release of Version 3, which includes various additions, modifications, and corrections that have been made to the original simulator. Primary changes to the simulator include: (1) the ability to simulate unconfined ground-water flow, (2) a precipitation-recharge boundary condition, (3) a seepage-surface boundary condition at the land surface, (4) the removal of the limitation that a specified-pressure boundary also have a specified temperature, (5) a new iterative solver for the linear equations based on a generalized minimum-residual method, (6) the ability to use time- or depth-dependent functions for permeability, (7) the conversion of the program code to Fortran 90 to employ dynamic allocation of arrays, and (8) the incorporation of a graphical user interface (GUI) for input and output. The graphical user interface has been developed for defining a simulation, running the HYDROTHERM simulator interactively, and displaying the results. The combination of the graphical user interface and the HYDROTHERM simulator forms the HYDROTHERM INTERACTIVE (HTI) program. HTI can be used for two-dimensional simulations only. New features in Version 3 of the HYDROTHERM simulator have been verified using four test problems. Three problems come from the published literature and one problem was simulated by another partially saturated flow and thermal transport simulator. The test problems include: transient partially saturated vertical infiltration, transient one-dimensional horizontal infiltration, two-dimensional steady-state drainage with a seepage surface, and two-dimensional drainage with coupled heat transport. An example application to a hypothetical stratovolcano system with unconfined ground-water flow is presented in detail. It illustrates the use of HTI with the combination precipitation-recharge and seepage-surface boundary condition, and functions as a tutorial example problem for the new user.

The Adaptive Effects Of Virtual Interfaces: Vestibulo-Ocular Reflex and Simulator Sickness.

DTIC Science & Technology

1998-08-07

rearrangement: a pattern of stimulation differing from that existing as a result of normal interactions with the real world. Stimulus rearrangements can...is immersive and interactive . virtual interface: a system of transducers, signal processors, computer hardware and software that create an... interactive medium through which: 1) information is transmitted to the senses in the form of two- and three dimensional virtual images and 2) psychomotor

Interactive graphical system for small-angle scattering analysis of polydisperse systems

NASA Astrophysics Data System (ADS)

Konarev, P. V.; Volkov, V. V.; Svergun, D. I.

2016-09-01

A program suite for one-dimensional small-angle scattering analysis of polydisperse systems and multiple data sets is presented. The main program, POLYSAS, has a menu-driven graphical user interface calling computational modules from ATSAS package to perform data treatment and analysis. The graphical menu interface allows one to process multiple (time, concentration or temperature-dependent) data sets and interactively change the parameters for the data modelling using sliders. The graphical representation of the data is done via the Winteracter-based program SASPLOT. The package is designed for the analysis of polydisperse systems and mixtures, and permits one to obtain size distributions and evaluate the volume fractions of the components using linear and non-linear fitting algorithms as well as model-independent singular value decomposition. The use of the POLYSAS package is illustrated by the recent examples of its application to study concentration-dependent oligomeric states of proteins and time kinetics of polymer micelles for anticancer drug delivery.

Graphical Acoustic Liner Design and Analysis Tool

NASA Technical Reports Server (NTRS)

Howerton, Brian M. (Inventor); Jones, Michael G. (Inventor)

2016-01-01

An interactive liner design and impedance modeling tool comprises software utilized to design acoustic liners for use in constrained spaces, both regularly and irregularly shaped. A graphical user interface allows the acoustic channel geometry to be drawn in a liner volume while the surface impedance calculations are updated and displayed in real-time. A one-dimensional transmission line model may be used as the basis for the impedance calculations.

Multilayer Dye Aggregation at Dye/TiO2 Interface via π…π Stacking and Hydrogen Bond and Its Impact on Solar Cell Performance: A DFT Analysis.

PubMed

Zhang, Lei; Liu, Xiaogang; Rao, Weifeng; Li, Jingfa

2016-10-21

Multilayer dye aggregation at the dye/TiO 2 interface of dye-sensitized solar cells is probed via first principles calculations, using p-methyl red azo dye as an example. Our calculations suggest that the multilayer dye aggregates at the TiO 2 surface can be stabilized by π…π stacking and hydrogen bond interactions. Compared with previous two-dimensional monolayer dye/TiO 2 model, the multilayer dye aggregation model proposed in this study constructs a three-dimensional multilayer dye/TiO 2 interfacial structure, and provides a better agreement between experimental and computational results in dye coverage and dye adsorption energy. In particular, a dimer forms by π…π stacking interactions between two neighboring azo molecules, while one of them chemisorbs on the TiO 2 surface; a trimer may form by introducing one additional azo molecule on the dimer through a hydrogen bond between two carboxylic acid groups. Different forms of multilayer dye aggregates, either stabilized by π…π stacking or hydrogen bond, exhibit varied optical absorption spectra and electronic properties. Such variations could have a critical impact on the performance of dye sensitized solar cells.

Multilayer Dye Aggregation at Dye/TiO2 Interface via π…π Stacking and Hydrogen Bond and Its Impact on Solar Cell Performance: A DFT Analysis

PubMed Central

Zhang, Lei; Liu, Xiaogang; Rao, Weifeng; Li, Jingfa

2016-01-01

Multilayer dye aggregation at the dye/TiO2 interface of dye-sensitized solar cells is probed via first principles calculations, using p-methyl red azo dye as an example. Our calculations suggest that the multilayer dye aggregates at the TiO2 surface can be stabilized by π…π stacking and hydrogen bond interactions. Compared with previous two-dimensional monolayer dye/TiO2 model, the multilayer dye aggregation model proposed in this study constructs a three-dimensional multilayer dye/TiO2 interfacial structure, and provides a better agreement between experimental and computational results in dye coverage and dye adsorption energy. In particular, a dimer forms by π…π stacking interactions between two neighboring azo molecules, while one of them chemisorbs on the TiO2 surface; a trimer may form by introducing one additional azo molecule on the dimer through a hydrogen bond between two carboxylic acid groups. Different forms of multilayer dye aggregates, either stabilized by π…π stacking or hydrogen bond, exhibit varied optical absorption spectra and electronic properties. Such variations could have a critical impact on the performance of dye sensitized solar cells. PMID:27767196

Molecular dynamics analysis of a equilibrium nanoscale droplet on a solid surface with periodic roughness

NASA Astrophysics Data System (ADS)

Furuta, Yuma; Surblys, Donatas; Yamaguchi, Yastaka

2016-11-01

Molecular dynamics simulations of the equilibrium wetting behavior of hemi-cylindrical argon droplets on solid surfaces with a periodic roughness were carried out. The rough solid surface is located at the bottom of the calculation cell with periodic boundary conditions in surface lateral directions and mirror boundary condition at the top boundary. Similar to on a smooth surface, the change of the cosine of the droplet contact angle was linearly correlated to the potential well depth of the inter-atomic interaction between liquid and solid on a surface with a short roughness period while the correlation was deviated on one with a long roughness period. To further investigate this feature, solid-liquid, solid-vapor interfacial free energies per unit projected area of solid surface were evaluated by using the thermodynamic integration method in independent quasi-one-dimensional simulation systems with a liquid-solid interface or vapor-solid interface on various rough solid surfaces at a constant pressure. The cosine of the apparent contact angles estimated from the density profile of the droplet systems corresponded well with ones calculated from Young's equation using the interfacial energies evaluated in the quasi-one dimensional systems.

Interface collisions

NASA Astrophysics Data System (ADS)

Aarão Reis, F. D. A.; Pierre-Louis, O.

2018-04-01

We provide a theoretical framework to analyze the properties of frontal collisions of two growing interfaces considering different short-range interactions between them. Due to their roughness, the collision events spread in time and form rough domain boundaries, which defines collision interfaces in time and space. We show that statistical properties of such interfaces depend on the kinetics of the growing interfaces before collision, but are independent of the details of their interaction and of their fluctuations during the collision. Those properties exhibit dynamic scaling with exponents related to the growth kinetics, but their distributions may be nonuniversal. Our results are supported by simulations of lattice models with irreversible dynamics and local interactions. Relations to first passage processes are discussed and a possible application to grain-boundary formation in two-dimensional materials is suggested.

Phases, phase equilibria, and phase rules in low-dimensional systems

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

Frolov, T., E-mail: timfrol@berkeley.edu; Mishin, Y., E-mail: ymishin@gmu.edu

2015-07-28

We present a unified approach to thermodynamic description of one, two, and three dimensional phases and phase transformations among them. The approach is based on a rigorous definition of a phase applicable to thermodynamic systems of any dimensionality. Within this approach, the same thermodynamic formalism can be applied for the description of phase transformations in bulk systems, interfaces, and line defects separating interface phases. For both lines and interfaces, we rigorously derive an adsorption equation, the phase coexistence equations, and other thermodynamic relations expressed in terms of generalized line and interface excess quantities. As a generalization of the Gibbs phasemore » rule for bulk phases, we derive phase rules for lines and interfaces and predict the maximum number of phases than may coexist in systems of the respective dimensionality.« less

Layer-by-layer assembly of two-dimensional materials into wafer-scale heterostructures

NASA Astrophysics Data System (ADS)

Kang, Kibum; Lee, Kan-Heng; Han, Yimo; Gao, Hui; Xie, Saien; Muller, David A.; Park, Jiwoong

2017-10-01

High-performance semiconductor films with vertical compositions that are designed to atomic-scale precision provide the foundation for modern integrated circuitry and novel materials discovery. One approach to realizing such films is sequential layer-by-layer assembly, whereby atomically thin two-dimensional building blocks are vertically stacked, and held together by van der Waals interactions. With this approach, graphene and transition-metal dichalcogenides--which represent one- and three-atom-thick two-dimensional building blocks, respectively--have been used to realize previously inaccessible heterostructures with interesting physical properties. However, no large-scale assembly method exists at present that maintains the intrinsic properties of these two-dimensional building blocks while producing pristine interlayer interfaces, thus limiting the layer-by-layer assembly method to small-scale proof-of-concept demonstrations. Here we report the generation of wafer-scale semiconductor films with a very high level of spatial uniformity and pristine interfaces. The vertical composition and properties of these films are designed at the atomic scale using layer-by-layer assembly of two-dimensional building blocks under vacuum. We fabricate several large-scale, high-quality heterostructure films and devices, including superlattice films with vertical compositions designed layer-by-layer, batch-fabricated tunnel device arrays with resistances that can be tuned over four orders of magnitude, band-engineered heterostructure tunnel diodes, and millimetre-scale ultrathin membranes and windows. The stacked films are detachable, suspendable and compatible with water or plastic surfaces, which will enable their integration with advanced optical and mechanical systems.

Layer-by-layer assembly of two-dimensional materials into wafer-scale heterostructures.

PubMed

Kang, Kibum; Lee, Kan-Heng; Han, Yimo; Gao, Hui; Xie, Saien; Muller, David A; Park, Jiwoong

2017-10-12

High-performance semiconductor films with vertical compositions that are designed to atomic-scale precision provide the foundation for modern integrated circuitry and novel materials discovery. One approach to realizing such films is sequential layer-by-layer assembly, whereby atomically thin two-dimensional building blocks are vertically stacked, and held together by van der Waals interactions. With this approach, graphene and transition-metal dichalcogenides-which represent one- and three-atom-thick two-dimensional building blocks, respectively-have been used to realize previously inaccessible heterostructures with interesting physical properties. However, no large-scale assembly method exists at present that maintains the intrinsic properties of these two-dimensional building blocks while producing pristine interlayer interfaces, thus limiting the layer-by-layer assembly method to small-scale proof-of-concept demonstrations. Here we report the generation of wafer-scale semiconductor films with a very high level of spatial uniformity and pristine interfaces. The vertical composition and properties of these films are designed at the atomic scale using layer-by-layer assembly of two-dimensional building blocks under vacuum. We fabricate several large-scale, high-quality heterostructure films and devices, including superlattice films with vertical compositions designed layer-by-layer, batch-fabricated tunnel device arrays with resistances that can be tuned over four orders of magnitude, band-engineered heterostructure tunnel diodes, and millimetre-scale ultrathin membranes and windows. The stacked films are detachable, suspendable and compatible with water or plastic surfaces, which will enable their integration with advanced optical and mechanical systems.

Tonal Interface to MacroMolecules (TIMMol): A Textual and Tonal Tool for Molecular Visualization

ERIC Educational Resources Information Center

Cordes, Timothy J.; Carlson, C. Britt; Forest, Katrina T.

2008-01-01

We developed the three-dimensional visualization software, Tonal Interface to MacroMolecules or TIMMol, for studying atomic coordinates of protein structures. Key features include audio tones indicating x, y, z location, identification of the cursor location in one-dimensional and three-dimensional space, textual output that can be easily linked…

Bimanual Interaction with Interscopic Multi-Touch Surfaces

NASA Astrophysics Data System (ADS)

Schöning, Johannes; Steinicke, Frank; Krüger, Antonio; Hinrichs, Klaus; Valkov, Dimitar

Multi-touch interaction has received considerable attention in the last few years, in particular for natural two-dimensional (2D) interaction. However, many application areas deal with three-dimensional (3D) data and require intuitive 3D interaction techniques therefore. Indeed, virtual reality (VR) systems provide sophisticated 3D user interface, but then lack efficient 2D interaction, and are therefore rarely adopted by ordinary users or even by experts. Since multi-touch interfaces represent a good trade-off between intuitive, constrained interaction on a touch surface providing tangible feedback, and unrestricted natural interaction without any instrumentation, they have the potential to form the foundation of the next generation user interface for 2D as well as 3D interaction. In particular, stereoscopic display of 3D data provides an additional depth cue, but until now the challenges and limitations for multi-touch interaction in this context have not been considered. In this paper we present new multi-touch paradigms and interactions that combine both traditional 2D interaction and novel 3D interaction on a touch surface to form a new class of multi-touch systems, which we refer to as interscopic multi-touch surfaces (iMUTS). We discuss iMUTS-based user interfaces that support interaction with 2D content displayed in monoscopic mode and 3D content usually displayed stereoscopically. In order to underline the potential of the proposed iMUTS setup, we have developed and evaluated two example interaction metaphors for different domains. First, we present intuitive navigation techniques for virtual 3D city models, and then we describe a natural metaphor for deforming volumetric datasets in a medical context.

A cut-cell finite volume – finite element coupling approach for fluid–structure interaction in compressible flow

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

Pasquariello, Vito, E-mail: vito.pasquariello@tum.de; Hammerl, Georg; Örley, Felix

2016-02-15

We present a loosely coupled approach for the solution of fluid–structure interaction problems between a compressible flow and a deformable structure. The method is based on staggered Dirichlet–Neumann partitioning. The interface motion in the Eulerian frame is accounted for by a conservative cut-cell Immersed Boundary method. The present approach enables sub-cell resolution by considering individual cut-elements within a single fluid cell, which guarantees an accurate representation of the time-varying solid interface. The cut-cell procedure inevitably leads to non-matching interfaces, demanding for a special treatment. A Mortar method is chosen in order to obtain a conservative and consistent load transfer. Wemore » validate our method by investigating two-dimensional test cases comprising a shock-loaded rigid cylinder and a deformable panel. Moreover, the aeroelastic instability of a thin plate structure is studied with a focus on the prediction of flutter onset. Finally, we propose a three-dimensional fluid–structure interaction test case of a flexible inflated thin shell interacting with a shock wave involving large and complex structural deformations.« less

Atomic-Scale Design, Synthesis and Characterization of Two-Dimensional Material Interfaces

NASA Astrophysics Data System (ADS)

Kiraly, Brian Thomas

The reduction of material dimensions to near atomic-scales leads to changes in the properties of these materials. The most recent development in reduced dimensionality is the isolation of atomically thin materials with 2 "bulk" or large-scale dimensions. The isolation of a single plane of carbon atoms has thus paved the way for the study of material properties when one of three dimensions is confined. Early studies revealed a wealth of exotic physical phenomena in these two-dimensional (2D) layers due to the valence and crystalline symmetry of the materials, focusing primarily on understanding the intrinsic properties of the system. Recent studies have begun to investigate the influence that the surroundings have on the 2D material properties and how those effects may be used to tune the composite system properties. In this thesis, I will examine the synthesis and characterization of these 2D interfaces to understand how the constituents impact the overall observations and discuss how these interfaces might be used to deliberately manipulate 2D materials. I will begin by demonstrating how ultra-high vacuum (UHV) conditions enable the preparation and synthesis of 2D materials on air-unstable surfaces by utilizing a characteristic example of crystalline silver. The lack of catalytic activity of silver toward carbon-containing precursors is overcome by using atomic carbon to grow the graphene on the surface. The resulting system provides unique insight into graphene-metal interactions as it marks the lower boundary for graphene-metal interaction strength. I will then show how new 2D materials can be grown utilizing this growth motif, demonstrating the methodology with elemental silicon. The atomically thin 2D silicon grown on the silver surfaces clearly demonstrates a diamond-cubic crystal structure, including an electronic bandgap of 1eV. This work marks the realization of both a new 2D semiconductor and the direct scaling limit for bulk sp3 silicon. The common growth technique is extended to integrate the two 2D materials onto the same silver surface under vacuum conditions; these new interfaces reveal characteristics of van der Waals interactions and electronic decoupling from the metallic substrate. The heterogeneous 2D system provides key insight into the competition between physical and chemical interactions in this novel material system. Finally, a larger scale graphene-semiconductor interface is examined between graphene and crystalline germanium. The covalent-bonding of the germanium crystal provides strong anisotropy at the surface, leading to symmetry-dependent growth and behavior. These systems show unique tunability afforded by strain at the interface, leading to the potential for wafer-scale manipulation. These results clearly call for the treatment of 2D material interfaces as composite material systems, with effective properties derived from each constituent material.

An interactive adaptive remeshing algorithm for the two-dimensional Euler equations

NASA Technical Reports Server (NTRS)

Slack, David C.; Walters, Robert W.; Lohner, R.

1990-01-01

An interactive adaptive remeshing algorithm utilizing a frontal grid generator and a variety of time integration schemes for the two-dimensional Euler equations on unstructured meshes is presented. Several device dependent interactive graphics interfaces have been developed along with a device independent DI-3000 interface which can be employed on any computer that has the supporting software including the Cray-2 supercomputers Voyager and Navier. The time integration methods available include: an explicit four stage Runge-Kutta and a fully implicit LU decomposition. A cell-centered finite volume upwind scheme utilizing Roe's approximate Riemann solver is developed. To obtain higher order accurate results a monotone linear reconstruction procedure proposed by Barth is utilized. Results for flow over a transonic circular arc and flow through a supersonic nozzle are examined.

Molecular Design of Branched and Binary Molecules at Ordered Interfaces

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

Genson, Kirsten Larson

2005-01-01

This study examined five different branched molecular architectures to discern the effect of design on the ability of molecules to form ordered structures at interfaces. Photochromic monodendrons formed kinked packing structures at the air-water interface due to the cross-sectional area mismatch created by varying number of alkyl tails and the hydrophilic polar head group. The lower generations formed orthorhombic unit cell with long range ordering despite the alkyl tails tilted to a large degree. Favorable interactions between liquid crystalline terminal groups and the underlying substrate were observed to compel a flexible carbosilane dendrimer core to form a compressed elliptical conformationmore » which packed stagger within lamellae domains with limited short range ordering. A twelve arm binary star polymer was observed to form two dimensional micelles at the air-water interface attributed to the higher polystyrene block composition. Linear rod-coil molecules formed a multitude of packing structures at the air-water interface due to the varying composition. Tree-like rod-coil molecules demonstrated the ability to form one-dimensional structures at the air-water interface and at the air-solvent interface caused by the preferential ordering of the rigid rod cores. The role of molecular architecture and composition was examined and the influence chemically competing fragments was shown to exert on the packing structure. The amphiphilic balance of the different molecular series exhibited control on the ordering behavior at the air-water interface and within bulk structures. The shell nature and tail type was determined to dictate the preferential ordering structure and molecular reorganization at interfaces with the core nature effect secondary.« less

X based interactive computer graphics applications for aerodynamic design and education

NASA Technical Reports Server (NTRS)

Benson, Thomas J.; Higgs, C. Fred, III

1995-01-01

Six computer applications packages have been developed to solve a variety of aerodynamic problems in an interactive environment on a single workstation. The packages perform classical one dimensional analysis under the control of a graphical user interface and can be used for preliminary design or educational purposes. The programs were originally developed on a Silicon Graphics workstation and used the GL version of the FORMS library as the graphical user interface. These programs have recently been converted to the XFORMS library of X based graphics widgets and have been tested on SGI, IBM, Sun, HP and PC-Lunix computers. The paper will show results from the new VU-DUCT program as a prime example. VU-DUCT has been developed as an educational package for the study of subsonic open and closed loop wind tunnels.

Current induced vortex wall dynamics in helical magnetic systems

NASA Astrophysics Data System (ADS)

Roostaei, Bahman

2015-03-01

Nontrivial topology of interfaces separating phases with opposite chirality in helical magnetic metals result in new effects as they interact with spin polarized current. These interfaces or vortex walls consist of a one dimensional array of vortex lines. We predict that adiabatic transfer of angular momentum between vortex array and spin polarized current will result in topological Hall effect in multi-domain samples. Also we predict that the motion of the vortex array will result in a new damping mechanism for magnetic moments based on Lenz's law. We study the dynamics of these walls interacting with electric current and use fundamental electromagnetic laws to quantify those predictions. On the other hand discrete nature of vortex walls affects their pinning and results in low depinning current density. We predict the value of this current using collective pinning theory.

Brain-computer interface signal processing at the Wadsworth Center: mu and sensorimotor beta rhythms.

PubMed

McFarland, Dennis J; Krusienski, Dean J; Wolpaw, Jonathan R

2006-01-01

The Wadsworth brain-computer interface (BCI), based on mu and beta sensorimotor rhythms, uses one- and two-dimensional cursor movement tasks and relies on user training. This is a real-time closed-loop system. Signal processing consists of channel selection, spatial filtering, and spectral analysis. Feature translation uses a regression approach and normalization. Adaptation occurs at several points in this process on the basis of different criteria and methods. It can use either feedforward (e.g., estimating the signal mean for normalization) or feedback control (e.g., estimating feature weights for the prediction equation). We view this process as the interaction between a dynamic user and a dynamic system that coadapt over time. Understanding the dynamics of this interaction and optimizing its performance represent a major challenge for BCI research.

Characteristic power spectrum of diffusive interface dynamics in the two-dimensional Ising model

NASA Astrophysics Data System (ADS)

Masumoto, Yusuke; Takesue, Shinji

2018-05-01

We investigate properties of the diffusive motion of an interface in the two-dimensional Ising model in equilibrium or nonequilibrium situations. We focused on the relation between the power spectrum of a time sequence of spins and diffusive motion of an interface which was already clarified in one-dimensional systems with a nonequilibrium phase transition like the asymmetric simple exclusion process. It is clarified that the interface motion is a diffusion process with a drift force toward the higher-temperature side when the system is in contact with heat reservoirs at different temperatures and heat transfers through the system. Effects of the width of the interface are also discussed.

Well-posedness of the Cauchy problem for models of large amplitude internal waves

NASA Astrophysics Data System (ADS)

Guyenne, Philippe; Lannes, David; Saut, Jean-Claude

2010-02-01

We consider in this paper the 'shallow-water/shallow-water' asymptotic model obtained in Choi and Camassa (1999 J. Fluid Mech. 396 1-36), Craig et al (2005 Commun. Pure. Appl. Math. 58 1587-641) (one-dimensional interface) and Bona et al (2008 J. Math. Pures Appl. 89 538-66) (two-dimensional interface) from the two-layer system with rigid lid, for the description of large amplitude internal waves at the interface of two layers of immiscible fluids of different densities. For one-dimensional interfaces, this system is of hyperbolic type and its local well-posedness does not raise serious difficulties, although other issues (blow-up, loss of hyperbolicity, etc) turn out to be delicate. For two-dimensional interfaces, the system is nonlocal. Nevertheless, we prove that it conserves some properties of 'hyperbolic type' and show that the associated Cauchy problem is locally well posed in suitable Sobolev classes provided some natural restrictions are imposed on the data. These results are illustrated by numerical simulations with emphasis on the formation of shock waves.

Dominant phonon polarization conversion across dimensionally mismatched interfaces: Carbon-nanotube-graphene junction

NASA Astrophysics Data System (ADS)

Shi, Jingjing; Lee, Jonghoon; Dong, Yalin; Roy, Ajit; Fisher, Timothy S.; Ruan, Xiulin

2018-04-01

Dimensionally mismatched interfaces are emerging for thermal management applications, but thermal transport physics remains poorly understood. Here we consider the carbon-nanotube-graphene junction, which is a dimensionally mismatched interface between one- and two-dimensional materials and is the building block for carbon-nanotube (CNT)-graphene three-dimensional networks. We predict the transmission function of individual phonon modes using the wave packet method; surprisingly, most incident phonon modes show predominantly polarization conversion behavior. For instance, longitudinal acoustic (LA) polarizations incident from CNTs transmit mainly into flexural transverse (ZA) polarizations in graphene. The frequency stays the same as the incident mode, indicating elastic transmission. Polarization conversion is more significant as the phonon wavelength increases. We attribute such unique phonon polarization conversion behavior to the dimensional mismatch across the interface, and it opens significantly new phonon transport channels as compared to existing theories where polarization conversion is neglected.

III-V semiconductor Quantum Well systems: Physics of Gallium Arsenide two-dimensional hole systems and engineering of mid-infrared Quantum Cascade lasers

NASA Astrophysics Data System (ADS)

Chiu, YenTing

This dissertation examines two types of III-V semiconductor quantum well systems: two-dimensional holes in GaAs, and mid-infrared Quantum Cascade lasers. GaAs holes have a much reduced hyperfine interaction with the nuclei due to the p-like orbital, resulting in a longer hole spin coherence time comparing to the electron spin coherence time. Therefore, holes' spins are promising candidates for quantum computing qubits, but the effective mass and the Lande g-factor, whose product determines the spin-susceptibility of holes, are not well known. In this thesis, we measure the effective hole mass through analyzing the temperature dependence of Shubnikov-de Haas oscillations in a relatively strong interacting two-dimensional hole systems confined to a 20 nm-wide, (311)A GaAs quantum well. The holes in this system occupy two nearly-degenerate spin subbands whose effective mass we measure to be ˜ 0.2 me. We then apply a sufficiently strong parallel magnetic field to fully depopulate one of the spin subbands, and the spin susceptibility of the two-dimensional hole system is deduced from the depopulation field. We also confine holes in closely spaced bilayer GaAs quantum wells to study the interlayer tunneling spectrum as a function of interlayer bias and in-plane magnetic field, in hope of probing the hole's Fermi contour. Quantum Cascade lasers are one of the major mid-infrared light sources well suited for applications in health and environmental sensing. One of the important factors that affect Quantum Cascade laser performance is the quality of the interfaces between the epitaxial layers. What has long been neglected is that interface roughness causes intersubband scattering, and thus affecting the relation between the lifetimes of the upper and lower laser states, which determines if population inversion is possible. We first utilize strategically added interface roughness in the laser design to engineer the intersubband scattering lifetimes. We further experimentally prove the importance of interface roughness on intersubband scattering by measuring the electron transit time of different quantum cascade lasers and comparing them to the calculated upper laser level lifetimes with and without taking into account interface roughness induced intersubband scattering. A significantly better correlation is found between the experimental results and the calculation when the interface roughness scattering is included. Lastly, we study the effect of growth asymmetry on scattering mechanisms in mid-infrared Quantum Cascade lasers. Due to the dopant migration of around 10 nm along the growth direction of InGaAs/InAlAs Quantum Cascade laser structures, ionized impurity scattering is found to have a non-negligible influence on the lifetime of the upper laser level when the laser is biased in the polarity that electrons flow along the growth direction, in sharp contrast to the situation for the opposite polarity.

Pascal Liquid Phase in Electronic Waveguides

NASA Astrophysics Data System (ADS)

Tomczyk, M.; Briggeman, M.; Tylan-Tyler, A.; Huang, M.; Tian, B.; Pekker, D.; Lee, J.-W.; Lee, H.; Eom, C.-B.; Levy, J.

Clean one-dimensional electron transport has been observed in very few material systems. The development of exceptionally clean electron waveguides formed at the interface between complex oxides LaAlO3 and SrTiO3 enables low-dimensional transport to be explored with newfound flexibility. This material system not only supports ballistic 1D transport, but possesses a rich phase diagram and strong attractive electron-electron interactions which are not present in other solid-state systems. Here we report an unusual phenomenon in which quantized conductance increases by steps that themselves increase sequentially in multiples of e2 / h . The overall conductance exhibits a Pascal-like sequence: 1, 3, 6, 10... e2 / h , which we ascribe to ballistic transport of 1, 2, 3, 4 ... bunches of electrons. We will discuss how subband degeneracies can occur in non-interacting models that have carefully tuned parameters. Strong attractive interactions are required, however, for these subbands to lock together. This Pascal liquid phase provides a striking example of the consequences of strong attractive interactions in low-dimensional environments. We gratefully acknowledge financial support from AFOSR (FA9550-12-1- 0057 (JL) and FA9550-12-1-0342 (CBE)), ONR N00014-15-1-2847 (JL), and NSF DMR-1234096 (CBE).

Quadcopter control in three-dimensional space using a noninvasive motor imagery based brain-computer interface

PubMed Central

LaFleur, Karl; Cassady, Kaitlin; Doud, Alexander; Shades, Kaleb; Rogin, Eitan; He, Bin

2013-01-01

Objective At the balanced intersection of human and machine adaptation is found the optimally functioning brain-computer interface (BCI). In this study, we report a novel experiment of BCI controlling a robotic quadcopter in three-dimensional physical space using noninvasive scalp EEG in human subjects. We then quantify the performance of this system using metrics suitable for asynchronous BCI. Lastly, we examine the impact that operation of a real world device has on subjects’ control with comparison to a two-dimensional virtual cursor task. Approach Five human subjects were trained to modulate their sensorimotor rhythms to control an AR Drone navigating a three-dimensional physical space. Visual feedback was provided via a forward facing camera on the hull of the drone. Individual subjects were able to accurately acquire up to 90.5% of all valid targets presented while travelling at an average straight-line speed of 0.69 m/s. Significance Freely exploring and interacting with the world around us is a crucial element of autonomy that is lost in the context of neurodegenerative disease. Brain-computer interfaces are systems that aim to restore or enhance a user’s ability to interact with the environment via a computer and through the use of only thought. We demonstrate for the first time the ability to control a flying robot in the three-dimensional physical space using noninvasive scalp recorded EEG in humans. Our work indicates the potential of noninvasive EEG based BCI systems to accomplish complex control in three-dimensional physical space. The present study may serve as a framework for the investigation of multidimensional non-invasive brain-computer interface control in a physical environment using telepresence robotics. PMID:23735712

Designer: A Knowledge-Based Graphic Design Assistant.

ERIC Educational Resources Information Center

Weitzman, Louis

This report describes Designer, an interactive tool for assisting with the design of two-dimensional graphic interfaces for instructional systems. The system, which consists of a color graphics interface to a mathematical simulation, provides enhancements to the Graphics Editor component of Steamer (a computer-based training system designed to aid…

Magnetic Interactions at the Nanoscale in Trilayer Titanates

NASA Astrophysics Data System (ADS)

Cao, Yanwei; Yang, Zhenzhong; Kareev, M.; Liu, Xiaoran; Meyers, D.; Middey, S.; Choudhury, D.; Shafer, P.; Guo, Jiandong; Freeland, J. W.; Arenholz, E.; Gu, Lin; Chakhalian, J.

2016-02-01

We report on the phase diagram of competing magnetic interactions at the nanoscale in engineered ultrathin trilayer heterostructures of LaTiO3 /SrTiO3/YTiO3 , in which the interfacial inversion symmetry is explicitly broken. Combined atomic layer resolved scanning transmission electron microscopy with electron energy loss spectroscopy and electrical transport have confirmed the formation of a spatially separated two-dimensional electron liquid and high density two-dimensional localized magnetic moments at the LaTiO3 /SrTiO3 and SrTiO3 /YTiO3 interfaces, respectively. Resonant soft x-ray linear dichroism spectroscopy has demonstrated the presence of orbital polarization of the conductive LaTiO3 /SrTiO3 and localized SrTiO3 /YTiO3 electrons. Our results provide a route with prospects for exploring new magnetic interfaces, designing a tunable two-dimensional d -electron Kondo lattice, and potential spin Hall applications.

Three-dimensional structure of an antibody-antigen complex.

PubMed

Sheriff, S; Silverton, E W; Padlan, E A; Cohen, G H; Smith-Gill, S J; Finzel, B C; Davies, D R

1987-11-01

We have determined the three-dimensional structure of two crystal forms of an antilysozyme Fab-lysozyme complex by x-ray crystallography. The epitope on lysozyme consists of three sequentially separated subsites, including one long, nearly continuous, site from Gln-41 through Tyr-53 and one from Gly-67 through Pro-70. Antibody residues interacting with lysozyme occur in each of the six complementarity-determining regions and also include one framework residue. Arg-45 and Arg-68 form a ridge on the surface of lysozyme, which binds in a groove on the antibody surface. Otherwise the surface of interaction between the two proteins is relatively flat, although it curls at the edges. The surface of interaction is approximately 26 X 19 A. No water molecules are found in the interface. The positive charge on the two arginines is complemented by the negative charge of Glu-35 and Glu-50 from the heavy chain of the antibody. The backbone structure of the antigen, lysozyme, is mostly unperturbed, although there are some changes in the epitope region, most notably Pro-70. One side chain not in the epitope, Trp-63, undergoes a rotation of approximately 180 degrees about the C beta--C gamma bond. The Fab elbow bends in the two crystal forms differ by 7 degrees.

A high-resolution Godunov method for compressible multi-material flow on overlapping grids

NASA Astrophysics Data System (ADS)

Banks, J. W.; Schwendeman, D. W.; Kapila, A. K.; Henshaw, W. D.

2007-04-01

A numerical method is described for inviscid, compressible, multi-material flow in two space dimensions. The flow is governed by the multi-material Euler equations with a general mixture equation of state. Composite overlapping grids are used to handle complex flow geometry and block-structured adaptive mesh refinement (AMR) is used to locally increase grid resolution near shocks and material interfaces. The discretization of the governing equations is based on a high-resolution Godunov method, but includes an energy correction designed to suppress numerical errors that develop near a material interface for standard, conservative shock-capturing schemes. The energy correction is constructed based on a uniform-pressure-velocity flow and is significant only near the captured interface. A variety of two-material flows are presented to verify the accuracy of the numerical approach and to illustrate its use. These flows assume an equation of state for the mixture based on the Jones-Wilkins-Lee (JWL) forms for the components. This equation of state includes a mixture of ideal gases as a special case. Flow problems considered include unsteady one-dimensional shock-interface collision, steady interaction of a planar interface and an oblique shock, planar shock interaction with a collection of gas-filled cylindrical inhomogeneities, and the impulsive motion of the two-component mixture in a rigid cylindrical vessel.

Mapping two-dimensional polar active fluids to two-dimensional soap and one-dimensional sandblasting

NASA Astrophysics Data System (ADS)

Chen, Leiming; Lee, Chiu Fan; Toner, John

2016-07-01

Active fluids and growing interfaces are two well-studied but very different non-equilibrium systems. Each exhibits non-equilibrium behaviour distinct from that of their equilibrium counterparts. Here we demonstrate a surprising connection between these two: the ordered phase of incompressible polar active fluids in two spatial dimensions without momentum conservation, and growing one-dimensional interfaces (that is, the 1+1-dimensional Kardar-Parisi-Zhang equation), in fact belong to the same universality class. This universality class also includes two equilibrium systems: two-dimensional smectic liquid crystals, and a peculiar kind of constrained two-dimensional ferromagnet. We use these connections to show that two-dimensional incompressible flocks are robust against fluctuations, and exhibit universal long-ranged, anisotropic spatio-temporal correlations of those fluctuations. We also thereby determine the exact values of the anisotropy exponent ζ and the roughness exponents χx,y that characterize these correlations.

Mapping two-dimensional polar active fluids to two-dimensional soap and one-dimensional sandblasting.

PubMed

Chen, Leiming; Lee, Chiu Fan; Toner, John

2016-07-25

Active fluids and growing interfaces are two well-studied but very different non-equilibrium systems. Each exhibits non-equilibrium behaviour distinct from that of their equilibrium counterparts. Here we demonstrate a surprising connection between these two: the ordered phase of incompressible polar active fluids in two spatial dimensions without momentum conservation, and growing one-dimensional interfaces (that is, the 1+1-dimensional Kardar-Parisi-Zhang equation), in fact belong to the same universality class. This universality class also includes two equilibrium systems: two-dimensional smectic liquid crystals, and a peculiar kind of constrained two-dimensional ferromagnet. We use these connections to show that two-dimensional incompressible flocks are robust against fluctuations, and exhibit universal long-ranged, anisotropic spatio-temporal correlations of those fluctuations. We also thereby determine the exact values of the anisotropy exponent ζ and the roughness exponents χx,y that characterize these correlations.

Quantized conductance doubling and hard gap in a two-dimensional semiconductor-superconductor heterostructure.

PubMed

Kjaergaard, M; Nichele, F; Suominen, H J; Nowak, M P; Wimmer, M; Akhmerov, A R; Folk, J A; Flensberg, K; Shabani, J; Palmstrøm, C J; Marcus, C M

2016-09-29

Coupling a two-dimensional (2D) semiconductor heterostructure to a superconductor opens new research and technology opportunities, including fundamental problems in mesoscopic superconductivity, scalable superconducting electronics, and new topological states of matter. One route towards topological matter is by coupling a 2D electron gas with strong spin-orbit interaction to an s-wave superconductor. Previous efforts along these lines have been adversely affected by interface disorder and unstable gating. Here we show measurements on a gateable InGaAs/InAs 2DEG with patterned epitaxial Al, yielding devices with atomically pristine interfaces between semiconductor and superconductor. Using surface gates to form a quantum point contact (QPC), we find a hard superconducting gap in the tunnelling regime. When the QPC is in the open regime, we observe a first conductance plateau at 4e 2 /h, consistent with theory. The hard-gap semiconductor-superconductor system demonstrated here is amenable to top-down processing and provides a new avenue towards low-dissipation electronics and topological quantum systems.

Quantized conductance doubling and hard gap in a two-dimensional semiconductor–superconductor heterostructure

PubMed Central

Kjaergaard, M.; Nichele, F.; Suominen, H. J.; Nowak, M. P.; Wimmer, M.; Akhmerov, A. R.; Folk, J. A.; Flensberg, K.; Shabani, J.; Palmstrøm, C. J.; Marcus, C. M.

2016-01-01

Coupling a two-dimensional (2D) semiconductor heterostructure to a superconductor opens new research and technology opportunities, including fundamental problems in mesoscopic superconductivity, scalable superconducting electronics, and new topological states of matter. One route towards topological matter is by coupling a 2D electron gas with strong spin–orbit interaction to an s-wave superconductor. Previous efforts along these lines have been adversely affected by interface disorder and unstable gating. Here we show measurements on a gateable InGaAs/InAs 2DEG with patterned epitaxial Al, yielding devices with atomically pristine interfaces between semiconductor and superconductor. Using surface gates to form a quantum point contact (QPC), we find a hard superconducting gap in the tunnelling regime. When the QPC is in the open regime, we observe a first conductance plateau at 4e2/h, consistent with theory. The hard-gap semiconductor–superconductor system demonstrated here is amenable to top-down processing and provides a new avenue towards low-dissipation electronics and topological quantum systems. PMID:27682268

Three-dimensional features on oscillating microbubbles streaming flows

NASA Astrophysics Data System (ADS)

Rossi, Massimiliano; Marin, Alvaro G.; Wang, Cheng; Hilgenfeldt, Sascha; Kähler, Christian J.

2013-11-01

Ultrasound-driven oscillating micro-bubbles have been used as active actuators in microfluidic devices to perform manifold tasks such as mixing, sorting and manipulation of microparticles. A common configuration consists in side-bubbles, created by trapping air pockets in blind channels perpendicular to the main channel direction. This configuration results in bubbles with a semi-cylindrical shape that creates a streaming flow generally considered quasi two-dimensional. However, recent experiments performed with three-dimensional velocimetry methods have shown how microparticles can present significant three-dimensional trajectories, especially in regions close to the bubble interface. Several reasons will be discussed such as boundary effects of the bottom/top wall, deformation of the bubble interface leading to more complex vibrational modes, or bubble-particle interactions. In the present investigation, precise measurements of particle trajectories close to the bubble interface will be performed by means of 3D Astigmatic Particle Tracking Velocimetry. The results will allow us to characterize quantitatively the three-dimensional features of the streaming flow and to estimate its implications in practical applications as particle trapping, sorting or mixing.

Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation.

PubMed

Pilania, Ghanshyam; Thijsse, Barend J; Hoagland, Richard G; Lazić, Ivan; Valone, Steven M; Liu, Xiang-Yang

2014-03-27

We study the coherent and semi-coherent Al/α-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions at the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. Our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al2O3 composite heterostructures.

Optical Studies of Excitonic Effects at Two-Dimensional Nanostructure Interfaces

NASA Astrophysics Data System (ADS)

Ajayi, Obafunso Ademilolu

Atomically thin two-dimensional nanomaterials such as graphene and transition metal dichalcogenides (TMDCs) have seen a rapid growth of exploration since the isolation of monolayer graphene. These materials provide a rich field of study for physics and optoelectronics applications. Many applications seek to combine a two dimensional (2D) material with another nanomaterial, either another two dimensional material or a zero (0D) or one dimensional (1D) material. The work in this thesis explores the consequences of these interactions from 0D to 2D. We begin in Chapter 2 with a study of energy transfer at 0D-2D interfaces with quantum dots and graphene. In our work we seek to maximize the rate of energy transfer by reducing the distance between the materials. We observe an interplay with the distance-dependence and surface effects from our halogen terminated quantum dots that affect our observed energy transfer. In Chapter 3 we study supercapacitance in composite graphene oxide-carbon nanotube electrodes. At this 2D-1D interface we observe a compounding effect between graphene oxide and carbon nanotubes. Carbon nanotubes increase the accessible surface area of the supercapacitors and improve conductivity by forming a conductive pathway through electrodes. In Chapter 4 we investigate effective means of improving sample quality in TMDCs and discover the importance of the monolayer interface. We observe a drastic improvement in photoluminescence when encapsulating our TMDCs with Boron Nitride. We measure spectral linewidths approaching the intrinsic limit due to this 2D-2D interface. We also effectively reduce excess charge and thus the trion-exciton ratio in our samples through substrate surface passivation. In Chapter 5 we briefly discuss our investigations on chemical doping, heterostructures and interlayer decoupling in ReS2. We observe an increase in intensity for p-doped MoS2 samples. We investigated the charge transfer exciton previously identified in heterostructures. Spectral observation of this interlayer exciton remained elusive in our work but provided the motivation for our work in Chapter 4. We also discuss our preliminary results on interlayer decoupling in ReS2.

Two-dimensional explosion experiments examining the interaction between a blast wave and a sand hill

NASA Astrophysics Data System (ADS)

Sugiyama, Y.; Izumo, M.; Ando, H.; Matsuo, A.

2018-05-01

Two-dimensional explosion experiments were conducted to discuss the interaction between a blast wave and sand and show the mitigation effect of the sand on the blast wave. The explosive used was a detonating cord 1.0 m in length, which was initiated in a sand hill shaped like a triangular prism and whose cross section was an isosceles triangle with base angles of 30°. Sand-hill heights of 30 and 60 mm were used as parameters to discuss the effect of sand mass upon blast-wave strength. The interaction of the blast wave with the sand/air interface causes multiple peaks in the blast wave, which are induced by successive transmissions at the interface. The increase in the sand mass further mitigates the blast parameters of peak overpressure and positive impulse. The results of this experiment can be utilized to validate the numerical method of solving the problem of interaction between a compressible fluid and a particle layer.

Two-dimensional explosion experiments examining the interaction between a blast wave and a sand hill

NASA Astrophysics Data System (ADS)

Sugiyama, Y.; Izumo, M.; Ando, H.; Matsuo, A.

2018-02-01

Two-dimensional explosion experiments were conducted to discuss the interaction between a blast wave and sand and show the mitigation effect of the sand on the blast wave. The explosive used was a detonating cord 1.0 m in length, which was initiated in a sand hill shaped like a triangular prism and whose cross section was an isosceles triangle with base angles of 30°. Sand-hill heights of 30 and 60 mm were used as parameters to discuss the effect of sand mass upon blast-wave strength. The interaction of the blast wave with the sand/air interface causes multiple peaks in the blast wave, which are induced by successive transmissions at the interface. The increase in the sand mass further mitigates the blast parameters of peak overpressure and positive impulse. The results of this experiment can be utilized to validate the numerical method of solving the problem of interaction between a compressible fluid and a particle layer.

Dissipationless transport of spin-polarized electrons and Cooper pairs in an electron waveguide

NASA Astrophysics Data System (ADS)

Levy, J.; Annadi, A.; Lu, S.; Cheng, G.; Tylan-Tyler, A.; Briggeman, M.; Tomczyk, M.; Huang, M.; Pekker, D.; Irvin, P.; Lee, H.; Lee, J.-W.; Eom, C.-B.

Electron systems undergo profound changes in their behavior when constrained to move along a single axis. To date, clean one-dimensional (1D) electron transport has only been observed in carbon-based nanotubes and nanoribbons, and compound semiconductor nanowires. Complex-oxide heterostructures can possess conductive two-dimensional (2D) interfaces with much richer chemistries and properties, e.g., superconductivity, but with mobilities that appear to preclude ballistic transport in 1D. Here we show that nearly ideal 1D electron waveguides exhibiting ballistic transport of electrons and non-superconducting Cooper pairs can be formed at the interface between the two band insulators LaAlO3 and SrTiO3. The electron waveguides possess gate and magnetic-field selectable spin and charge degrees of freedom, and can be tuned to the one-dimensional limit of a single spin-polarized quantum channel. The strong attractive electron-electron interactions enable a new mode of dissipationless transport of electron pairs that is not superconducting. The selectable spin and subband quantum numbers of these electron waveguides may be useful for quantum simulation, quantum informatio We gratefully acknowledge financial support from ONR N00014-15-1-2847 (JL), AFOSR (FA9550-15-1-0334 (CBE) and FA9550-12-1-0057 (JL, CBE)), AOARD FA2386-15-1-4046 (CBE) and NSF (DMR-1104191 (JL), DMR-1124131 (CBE, JL) and DMR-1234096 (CBE)).

A 2-D Interface Element for Coupled Analysis of Independently Modeled 3-D Finite Element Subdomains

NASA Technical Reports Server (NTRS)

Kandil, Osama A.

1998-01-01

Over the past few years, the development of the interface technology has provided an analysis framework for embedding detailed finite element models within finite element models which are less refined. This development has enabled the use of cascading substructure domains without the constraint of coincident nodes along substructure boundaries. The approach used for the interface element is based on an alternate variational principle often used in deriving hybrid finite elements. The resulting system of equations exhibits a high degree of sparsity but gives rise to a non-positive definite system which causes difficulties with many of the equation solvers in general-purpose finite element codes. Hence the global system of equations is generally solved using, a decomposition procedure with pivoting. The research reported to-date for the interface element includes the one-dimensional line interface element and two-dimensional surface interface element. Several large-scale simulations, including geometrically nonlinear problems, have been reported using the one-dimensional interface element technology; however, only limited applications are available for the surface interface element. In the applications reported to-date, the geometry of the interfaced domains exactly match each other even though the spatial discretization within each domain may be different. As such, the spatial modeling of each domain, the interface elements and the assembled system is still laborious. The present research is focused on developing a rapid modeling procedure based on a parametric interface representation of independently defined subdomains which are also independently discretized.

One-to-one neuron-electrode interfacing.

PubMed

Greenbaum, Alon; Anava, Sarit; Ayali, Amir; Shein, Mark; David-Pur, Moshe; Ben-Jacob, Eshel; Hanein, Yael

2009-09-15

The question of neuronal network development and organization is a principle one, which is closely related to aspects of neuronal and network form-function interactions. In-vitro two-dimensional neuronal cultures have proved to be an attractive and successful model for the study of these questions. Research is constraint however by the search for techniques aimed at culturing stable networks, whose electrical activity can be reliably and consistently monitored. A simple approach to form small interconnected neuronal circuits while achieving one-to-one neuron-electrode interfacing is presented. Locust neurons were cultured on a novel bio-chip consisting of carbon-nanotube multi-electrode-arrays. The cells self-organized to position themselves in close proximity to the bio-chip electrodes. The organization of the cells on the electrodes was analyzed using time lapse microscopy, fluorescence imaging and scanning electron microscopy. Electrical recordings from well identified cells is presented and discussed. The unique properties of the bio-chip and the specific neuron-nanotube interactions, together with the use of relatively large insect ganglion cells, allowed long-term stabilization (as long as 10 days) of predefined neural network topology as well as high fidelity electrical recording of individual neuron firing. This novel preparation opens ample opportunity for future investigation into key neurobiological questions and principles.

Spacecraft Orbit Design and Analysis (SODA), version 1.0 user's guide

NASA Technical Reports Server (NTRS)

Stallcup, Scott S.; Davis, John S.

1989-01-01

The Spacecraft Orbit Design and Analysis (SODA) computer program, Version 1.0 is described. SODA is a spaceflight mission planning system which consists of five program modules integrated around a common database and user interface. SODA runs on a VAX/VMS computer with an EVANS & SUTHERLAND PS300 graphics workstation. BOEING RIM-Version 7 relational database management system performs transparent database services. In the current version three program modules produce an interactive three dimensional (3D) animation of one or more satellites in planetary orbit. Satellite visibility and sensor coverage capabilities are also provided. One module produces an interactive 3D animation of the solar system. Another module calculates cumulative satellite sensor coverage and revisit time for one or more satellites. Currently Earth, Moon, and Mars systems are supported for all modules except the solar system module.

Preparing Content-Rich Learning Environments with VPython and Excel, Controlled by Visual Basic for Applications

ERIC Educational Resources Information Center

Prayaga, Chandra

2008-01-01

A simple interface between VPython and Microsoft (MS) Office products such as Word and Excel, controlled by Visual Basic for Applications, is described. The interface allows the preparation of content-rich, interactive learning environments by taking advantage of the three-dimensional (3D) visualization capabilities of VPython and the GUI…

A two dimensional interface element for coupling of independently modeled three dimensional finite element meshes and extensions to dynamic and non-linear regimes

NASA Technical Reports Server (NTRS)

Aminpour, Mohammad

1995-01-01

The work reported here pertains only to the first year of research for a three year proposal period. As a prelude to this two dimensional interface element, the one dimensional element was tested and errors were discovered in the code for built-up structures and curved interfaces. These errors were corrected and the benchmark Boeing composite crown panel was analyzed successfully. A study of various splines led to the conclusion that cubic B-splines best suit this interface element application. A least squares approach combined with cubic B-splines was constructed to make a smooth function from the noisy data obtained with random error in the coordinate data points of the Boeing crown panel analysis. Preliminary investigations for the formulation of discontinuous 2-D shell and 3-D solid elements were conducted.

Charge interaction between particle-laden fluid interfaces.

PubMed

Xu, Hui; Kirkwood, John; Lask, Mauricio; Fuller, Gerald

2010-03-02

Experiments are described where two oil/water interfaces laden with charged particles move at close proximity relative to one another. The particles on one of the interfaces were observed to be attracted toward the point of closest approach, forming a denser particle monolayer, while the particles on the opposite interface were repelled away from this point, forming a particle depletion zone. Such particle attraction/repulsion was observed even if one of the interfaces was free of particles. This phenomenon can be explained by the electrostatic interaction between the two interfaces, which causes surface charges (charged particles and ions) to redistribute in order to satisfy surface electric equipotential at each interface. In a forced particle oscillation experiment, we demonstrated the control of charged particle positions on the interface by manipulating charge interaction between interfaces.

Magnetic Interactions at the Nanoscale in Trilayer Titanates

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

Cao, Yanwei; Yang, Zhenzhong; Kareev, M.

2016-02-17

We report on the phase diagram of competing magnetic interactions at the nanoscale in engineered ultrathin trilayer heterostructures of LaTiO3/SrTiO3/YTiO3, in which the interfacial inversion symmetry is explicitly broken. Combined atomic layer resolved scanning transmission electron microscopy with electron energy loss spectroscopy and electrical transport have confirmed the formation of a spatially separated two-dimensional electron liquid and high density two-dimensional localized magnetic moments at the LaTiO3/SrTiO3 and SrTiO3/YTiO3 interfaces, respectively. Resonant soft x-ray linear dichroism spectroscopy has demonstrated the presence of orbital polarization of the conductive LaTiO3/SrTiO3 and localized SrTiO3/YTiO3 electrons. Our results provide a route with prospects for exploringmore » new magnetic interfaces, designing a tunable two-dimensional d-electron Kondo lattice, and potential spin Hall applications.« less

Probing the interplay between amyloidogenic proteins and membranes using lipid monolayers and bilayers.

PubMed

Relini, Annalisa; Marano, Nadia; Gliozzi, Alessandra

2014-05-01

Many degenerative diseases such as Alzheimer's and Parkinson's involve proteins that have a tendency to misfold and aggregate eventually forming amyloid fibers. This review describes the use of monolayers, bilayers, supported membranes, and vesicles as model systems that have helped elucidate the mechanisms and consequences of the interactions between amyloidogenic proteins and membranes. These are twofold: membranes favor the formation of amyloid structures and these induce damage in those membranes. We describe studies that show how interfaces, especially charged ones, favor amyloidogenic protein aggregation by several means. First, surfaces increase the effective protein concentration reducing a three-dimensional system to a two-dimensional one. Second, charged surfaces allow electrostatic interactions with the protein. Anionic lipids as well as rafts, rich in cholesterol and gangliosides, prove to play an especially important role. Finally, these amphipathic systems also offer a hydrophobic environment favoring conformational changes, oligomerization, and eventual formation of mature fibers. In addition, we examine several models for membrane permeabilization: protein pores, leakage induced by extraction of lipids, chaotic pores, and membrane tension, presenting illustrative examples of experimental evidence in support of these models. The picture that emerges from recent work is one where more than one mechanism is in play. Which mechanism prevails depends on the protein, its aggregation state, and the lipid environment in which the interactions occur. © 2013.

Higher order QCD predictions for associated Higgs production with anomalous couplings to gauge bosons

NASA Astrophysics Data System (ADS)

Mimasu, Ken; Sanz, Verónica; Williams, Ciaran

2016-08-01

We present predictions for the associated production of a Higgs boson at NLO+PS accuracy, including the effect of anomalous interactions between the Higgs and gauge bosons. We present our results in different frameworks, one in which the interaction vertex between the Higgs boson and Standard Model W and Z bosons is parameterized in terms of general Lorentz structures, and one in which Electroweak symmetry breaking is manifestly linear and the resulting operators arise through a six-dimensional effective field theory framework. We present analytic calculations of the Standard Model and Beyond the Standard Model contributions, and discuss the phenomenological impact of the higher order pieces. Our results are implemented in the NLO Monte Carlo program MCFM, and interfaced to shower Monte Carlos through the Powheg box framework.

3dRPC: a web server for 3D RNA-protein structure prediction.

PubMed

Huang, Yangyu; Li, Haotian; Xiao, Yi

2018-04-01

RNA-protein interactions occur in many biological processes. To understand the mechanism of these interactions one needs to know three-dimensional (3D) structures of RNA-protein complexes. 3dRPC is an algorithm for prediction of 3D RNA-protein complex structures and consists of a docking algorithm RPDOCK and a scoring function 3dRPC-Score. RPDOCK is used to sample possible complex conformations of an RNA and a protein by calculating the geometric and electrostatic complementarities and stacking interactions at the RNA-protein interface according to the features of atom packing of the interface. 3dRPC-Score is a knowledge-based potential that uses the conformations of nucleotide-amino-acid pairs as statistical variables and that is used to choose the near-native complex-conformations obtained from the docking method above. Recently, we built a web server for 3dRPC. The users can easily use 3dRPC without installing it locally. RNA and protein structures in PDB (Protein Data Bank) format are the only needed input files. It can also incorporate the information of interface residues or residue-pairs obtained from experiments or theoretical predictions to improve the prediction. The address of 3dRPC web server is http://biophy.hust.edu.cn/3dRPC. yxiao@hust.edu.cn.

A High-Resolution Godunov Method for Compressible Multi-Material Flow on Overlapping Grids

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

Banks, J W; Schwendeman, D W; Kapila, A K

2006-02-13

A numerical method is described for inviscid, compressible, multi-material flow in two space dimensions. The flow is governed by the multi-material Euler equations with a general mixture equation of state. Composite overlapping grids are used to handle complex flow geometry and block-structured adaptive mesh refinement (AMR) is used to locally increase grid resolution near shocks and material interfaces. The discretization of the governing equations is based on a high-resolution Godunov method, but includes an energy correction designed to suppress numerical errors that develop near a material interface for standard, conservative shock-capturing schemes. The energy correction is constructed based on amore » uniform pressure-velocity flow and is significant only near the captured interface. A variety of two-material flows are presented to verify the accuracy of the numerical approach and to illustrate its use. These flows assume an equation of state for the mixture based on Jones-Wilkins-Lee (JWL) forms for the components. This equation of state includes a mixture of ideal gases as a special case. Flow problems considered include unsteady one-dimensional shock-interface collision, steady interaction of an planar interface and an oblique shock, planar shock interaction with a collection of gas-filled cylindrical inhomogeneities, and the impulsive motion of the two-component mixture in a rigid cylindrical vessel.« less

Residual thermal stresses in composites for dimensionally stable spacecraft applications

NASA Technical Reports Server (NTRS)

Bowles, David E.; Tompkins, Stephen S.; Funk, Joan G.

1992-01-01

An overview of NASA LaRC's research on thermal residual stresses and their effect on the dimensional stability of carbon fiber reinforced polymer-matrix composites is presented. The data show that thermal residual stresses can induce damage in polymer matrix composites and significantly affect the dimensional stability of these composites by causing permanent residual strains and changes in CTE. The magnitude of these stresses is primarily controlled by the laminate configuration and the applied temperature change. The damage caused by thermal residual stresses initiates at the fiber/matrix interface and micromechanics level analyses are needed to accurately predict it. An increased understanding of fiber/matrix interface interactions appears to be the best approach for improving a composite's resistance to thermally induced damage.

Two-dimensional simulation of high-power laser-surface interaction

NASA Astrophysics Data System (ADS)

Goldman, S. Robert; Wilke, Mark D.; Green, Ray E.; Busch, George E.; Johnson, Randall P.

1998-09-01

For laser intensities in the range of 108 - 109 W/cm2, and pulse lengths of order 10 microseconds or longer, we have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of our treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. We will present an analysis of some relatively well diagnosed experiments which have been useful in developing our modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence our simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range.

Recent Advances in Colloidal and Interfacial Phenomena Involving Liquid Crystals

PubMed Central

Bai, Yiqun; Abbott, Nicholas L.

2011-01-01

This article describes recent advances in several areas of research involving the interfacial ordering of liquid crystals (LCs). The first advance revolves around the ordering of LCs at bio/chemically functionalized surfaces. Whereas the majority of past studies of surface-induced ordering of LCs have involved surfaces of solids that present a limited diversity of chemical functional groups (surfaces at which van der Waals forces dominate surface-induced ordering), recent studies have moved to investigate the ordering of LCs on chemically complex surfaces. For example, surfaces decorated with biomolecules (e.g. oligopeptides and proteins) and transition metal ions have been investigated, leading to an understanding of the roles that metal-ligand coordination interactions, electrical double-layers, acid-base interactions, and hydrogen bonding can have on the interfacial ordering of LCs. The opportunity to create chemically-responsive LCs capable of undergoing ordering transitions in the presence of targeted molecular events (e.g., ligand exchange around a metal center) has emerged from these fundamental studies. A second advance has focused on investigations of the ordering of LCs at interfaces with immiscible isotropic fluids, particularly water. In contrast to prior studies of surface-induced ordering of LCs on solid surfaces, LC- aqueous interfaces are deformable and molecules at these interfaces exhibit high levels of mobility and thus can reorganize in response to changes in interfacial environment. A range of fundamental investigations involving these LC-aqueous interfaces have revealed that (i) the spatial and temporal characteristics of assemblies formed from biomolecular interactions can be reported by surface-driven ordering transitions in the LCs, (ii) the interfacial phase behaviour of molecules and colloids can be coupled to (and manipulated via) the ordering (and nematic elasticity) of LCs, and (iii) confinement of LCs leads to unanticipated size-dependent ordering (particularly in the context of LC emulsion droplets). The third and final advance addressed in this article involves interactions between colloids mediated by LCs. Recent experiments involving microparticles deposited at the LC-aqueous interface have revealed that LC-mediated interactions can drive interfacial assemblies of particles through reversible ordering transitions (e.g., from one-dimensional chains to two-dimensional arrays with local hexagonal symmetry). In addition, recent single nanoparticle measurements suggest that the ordering of LCs about nanoparticles differs substantially from micrometer-sized particles and that the interactions between nanoparticles mediated by the LCs are far weaker than predicted by theory (sufficiently weak that the interactions are reversible and thus enable self-assembly). Finally, LC-mediated interactions between colloidal particles have also been shown to lead to the formation of colloid-in-LC gels that possess mechanical properties relevant to the design of materials to interface with living biological systems. Overall, these three topics serve to illustrate the broad opportunities that exist to do fundamental interfacial science and discovery-oriented research involving LCs. PMID:21090596

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

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

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

DOE PAGES

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.; ...

2014-03-27

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Protein-Protein Interaction Site Predictions with Three-Dimensional Probability Distributions of Interacting Atoms on Protein Surfaces

PubMed Central

Chen, Ching-Tai; Peng, Hung-Pin; Jian, Jhih-Wei; Tsai, Keng-Chang; Chang, Jeng-Yih; Yang, Ei-Wen; Chen, Jun-Bo; Ho, Shinn-Ying; Hsu, Wen-Lian; Yang, An-Suei

2012-01-01

Protein-protein interactions are key to many biological processes. Computational methodologies devised to predict protein-protein interaction (PPI) sites on protein surfaces are important tools in providing insights into the biological functions of proteins and in developing therapeutics targeting the protein-protein interaction sites. One of the general features of PPI sites is that the core regions from the two interacting protein surfaces are complementary to each other, similar to the interior of proteins in packing density and in the physicochemical nature of the amino acid composition. In this work, we simulated the physicochemical complementarities by constructing three-dimensional probability density maps of non-covalent interacting atoms on the protein surfaces. The interacting probabilities were derived from the interior of known structures. Machine learning algorithms were applied to learn the characteristic patterns of the probability density maps specific to the PPI sites. The trained predictors for PPI sites were cross-validated with the training cases (consisting of 432 proteins) and were tested on an independent dataset (consisting of 142 proteins). The residue-based Matthews correlation coefficient for the independent test set was 0.423; the accuracy, precision, sensitivity, specificity were 0.753, 0.519, 0.677, and 0.779 respectively. The benchmark results indicate that the optimized machine learning models are among the best predictors in identifying PPI sites on protein surfaces. In particular, the PPI site prediction accuracy increases with increasing size of the PPI site and with increasing hydrophobicity in amino acid composition of the PPI interface; the core interface regions are more likely to be recognized with high prediction confidence. The results indicate that the physicochemical complementarity patterns on protein surfaces are important determinants in PPIs, and a substantial portion of the PPI sites can be predicted correctly with the physicochemical complementarity features based on the non-covalent interaction data derived from protein interiors. PMID:22701576

Interaction of Porosity with a Planar Solid/Liquid Interface

NASA Technical Reports Server (NTRS)

Catalina, Adrian V.; Stefanescu, Doru M.; Sen, Subhayu; Kaukler, William F.

2004-01-01

In this article, an investigation of the interaction between gas porosity and a planar solid/liquid (SL) interface is reported. A two-dimensional numerical model able to accurately track sharp SL interfaces during solidification of pure metals and alloys is proposed. The finite-difference method and a rectangular undeformed grid are used for computation. The SL interface is described through the points of intersection with the grid lines. Its motion is determined by the thermal and solute gradients at each particular point. Changes of the interface temperature because of capillarity or solute redistribution as well as any perturbation of the thermal and solute field produced by the presence of non-metallic inclusions can be computed. To validate the model, the dynamics of the interaction between a gas pore and a solidification front in metal alloys was observed using a state of the art X-ray transmission microscope (XTM). The experiments included observation of the distortion of the SL interface near a pore, real-time measurements of the growth rate, and the change in shape of the porosity during interaction with the SL interface in pure Al and Al-0.25 wt pct Au alloy. In addition, porosity-induced solute segregation patterns surrounding a pore were also quantified.

Implementing virtual reality interfaces for the geosciences

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

Bethel, W.; Jacobsen, J.; Austin, A.

1996-06-01

For the past few years, a multidisciplinary team of computer and earth scientists at Lawrence Berkeley National Laboratory has been exploring the use of advanced user interfaces, commonly called {open_quotes}Virtual Reality{close_quotes} (VR), coupled with visualization and scientific computing software. Working closely with industry, these efforts have resulted in an environment in which VR technology is coupled with existing visualization and computational tools. VR technology may be thought of as a user interface. It is useful to think of a spectrum, ranging the gamut from command-line interfaces to completely immersive environments. In the former, one uses the keyboard to enter threemore » or six-dimensional parameters. In the latter, three or six-dimensional information is provided by trackers contained either in hand-held devices or attached to the user in some fashion, e.g. attached to a head-mounted display. Rich, extensible and often complex languages are a vehicle whereby the user controls parameters to manipulate object position and location in a virtual world, but the keyboard is the obstacle in that typing is cumbersome, error-prone and typically slow. In the latter, the user can interact with these parameters by means of motor skills which are highly developed. Two specific geoscience application areas will be highlighted. In the first, we have used VR technology to manipulate three-dimensional input parameters, such as the spatial location of injection or production wells in a reservoir simulator. In the second, we demonstrate how VR technology has been used to manipulate visualization tools, such as a tool for computing streamlines via manipulation of a {open_quotes}rake.{close_quotes} The rake is presented to the user in the form of a {open_quotes}virtual well{close_quotes} icon, and provides parameters used by the streamlines algorithm.« less

Modeling the defrost process in complex geometries - Part 1: Development of a one-dimensional defrost model

NASA Astrophysics Data System (ADS)

van Buren, Simon; Hertle, Ellen; Figueiredo, Patric; Kneer, Reinhold; Rohlfs, Wilko

2017-11-01

Frost formation is a common, often undesired phenomenon in heat exchanges such as air coolers. Thus, air coolers have to be defrosted periodically, causing significant energy consumption. For the design and optimization, prediction of defrosting by a CFD tool is desired. This paper presents a one-dimensional transient model approach suitable to be used as a zero-dimensional wall-function in CFD for modeling the defrost process at the fin and tube interfaces. In accordance to previous work a multi stage defrost model is introduced (e.g. [1, 2]). In the first instance the multi stage model is implemented and validated using MATLAB. The defrost process of a one-dimensional frost segment is investigated. Fixed boundary conditions are provided at the frost interfaces. The simulation results verify the plausibility of the designed model. The evaluation of the simulated defrost process shows the expected convergent behavior of the three-stage sequence.

Properties at the interface of graphene and Ti2C MXene

NASA Astrophysics Data System (ADS)

Paul, Pallavi; Chakraborty, Poulami; Das, Tilak; Nafday, Dhani; Saha-Dasgupta, Tanusri

2017-07-01

Employing ab initio calculations, we characterize the interfaces formed between graphene, a much discussed two-dimensional material, and MXene, another two-dimensional material of recent interest. Our study considering the specific case of Ti2C , a member of the MXene family, shows the formation of chemical bonds between Ti atoms and C atoms of graphene. This results in reconstruction of the electronic structure at the interface, making the interface metallic, though graphene is a zero-gap semiconductor and Ti2C is an antiferromagnetic insulator in their respective native form. The optical and phonon properties of the interfaces are found to be strongly dependent on the stacking arrangement, driven by the nature of chemical-bond formation. Consideration of O-passivated Ti2C is found to weaken the interaction between graphene and Ti2C substantially, making it a physisorption process rather than chemisorption in the unpassivated situation. Our first-principles study is expected to motivate future experimental investigation.

Kinetics-based phase change approach for VOF method applied to boiling flow

NASA Astrophysics Data System (ADS)

Cifani, Paolo; Geurts, Bernard; Kuerten, Hans

2014-11-01

Direct numerical simulations of boiling flows are performed to better understand the interaction of boiling phenomena with turbulence. The multiphase flow is simulated by solving a single set of equations for the whole flow field according to the one-fluid formulation, using a VOF interface capturing method. Interface terms, related to surface tension, interphase mass transfer and latent heat, are added at the phase boundary. The mass transfer rate across the interface is derived from kinetic theory and subsequently coupled with the continuum representation of the flow field. The numerical model was implemented in OpenFOAM and validated against 3 cases: evaporation of a spherical uniformly heated droplet, growth of a spherical bubble in a superheated liquid and two dimensional film boiling. The computational model will be used to investigate the change in turbulence intensity in a fully developed channel flow due to interaction with boiling heat and mass transfer. In particular, we will focus on the influence of the vapor bubble volume fraction on enhancing heat and mass transfer. Furthermore, we will investigate kinetic energy spectra in order to identify the dynamics associated with the wakes of vapor bubbles. Department of Applied Mathematics, 7500 AE Enschede, NL.

Computational structure analysis of biomacromolecule complexes by interface geometry.

PubMed

Mahdavi, Sedigheh; Salehzadeh-Yazdi, Ali; Mohades, Ali; Masoudi-Nejad, Ali

2013-12-01

The ability to analyze and compare protein-nucleic acid and protein-protein interaction interface has critical importance in understanding the biological function and essential processes occurring in the cells. Since high-resolution three-dimensional (3D) structures of biomacromolecule complexes are available, computational characterizing of the interface geometry become an important research topic in the field of molecular biology. In this study, the interfaces of a set of 180 protein-nucleic acid and protein-protein complexes are computed to understand the principles of their interactions. The weighted Voronoi diagram of the atoms and the Alpha complex has provided an accurate description of the interface atoms. Our method is implemented in the presence and absence of water molecules. A comparison among the three types of interaction interfaces show that RNA-protein complexes have the largest size of an interface. The results show a high correlation coefficient between our method and the PISA server in the presence and absence of water molecules in the Voronoi model and the traditional model based on solvent accessibility and the high validation parameters in comparison to the classical model. Copyright © 2013 Elsevier Ltd. All rights reserved.

Qualification of a multi-diagnostic detonator-output characterization procedure utilizing PMMA witness blocks

NASA Astrophysics Data System (ADS)

Biss, Matthew; Murphy, Michael; Lieber, Mark

2017-06-01

Experiments were conducted in an effort to qualify a multi-diagnostic characterization procedure for the performance output of a detonator when fired into a poly(methyl methacrylate) (PMMA) witness block. A suite of optical diagnostics were utilized in combination to both bound the shock wave interaction state at the detonator/PMMA interface and characterize the nature of the shock wave decay in PMMA. The diagnostics included the Shock Wave Image Framing Technique (SWIFT), a photocathode tube streak camera, and photonic Doppler velocimetry (PDV). High-precision, optically clear witness blocks permitted dynamic flow visualization of the shock wave in PMMA via focused shadowgraphy. SWIFT- and streak-imaging diagnostics captured the spatiotemporally evolving shock wave, providing a two-dimensional temporally discrete image set and a one-dimensional temporally continuous image, respectively. PDV provided the temporal velocity history of the detonator output along the detonator axis. Through combination of the results obtained, a bound was able to be placed on the interface condition and a more-physical profile representing the shock wave decay in PMMA for an exploding-bridgewire detonator was achieved.

Electronic structures at the interface between CuPc and black phosphorus

NASA Astrophysics Data System (ADS)

Wang, Can; Niu, Dongmei; Xie, Haipeng; Liu, Baoxing; Wang, Shitan; Zhu, Menglong; Gao, Yongli

2017-08-01

The electronic structure at the organic-inorganic semiconductor interface of π -conjugated copper phthalocyanine (CuPc) on a black phosphorus (BP) crystal surface is studied with photoemission spectroscopy and density functional theory calculations. From the photoemission spectra, we observe a shift of about 0.7 eV for the highest occupied molecular orbital, which originates from the transition of phase in the organic molecular thin film (from the interface phase to the bulk phase). On the other hand, we find 0.2 eV band bending at the CuPc/BP interface while the formation of an interface dipole is very small. According to our photoemission spectrum and theoretical simulation, we also define that the interaction between CuPc and BP is physisorption via van der Waals forces, rather than chemisorption. Our results provide a fundamental understanding of CuPc/BP interfacial interactions that could be important for future two-dimensional organic/inorganic heterostructure devices.

A review of existing and potential computer user interfaces for modern radiology.

PubMed

Iannessi, Antoine; Marcy, Pierre-Yves; Clatz, Olivier; Bertrand, Anne-Sophie; Sugimoto, Maki

2018-05-16

The digitalization of modern imaging has led radiologists to become very familiar with computers and their user interfaces (UI). New options for display and command offer expanded possibilities, but the mouse and keyboard remain the most commonly utilized, for usability reasons. In this work, we review and discuss different UI and their possible application in radiology. We consider two-dimensional and three-dimensional imaging displays in the context of interventional radiology, and discuss interest in touchscreens, kinetic sensors, eye detection, and augmented or virtual reality. We show that UI design specifically for radiologists is key for future use and adoption of such new interfaces. Next-generation UI must fulfil professional needs, while considering contextual constraints. • The mouse and keyboard remain the most utilized user interfaces for radiologists. • Touchscreen, holographic, kinetic sensors and eye tracking offer new possibilities for interaction. • 3D and 2D imaging require specific user interfaces. • Holographic display and augmented reality provide a third dimension to volume imaging. • Good usability is essential for adoption of new user interfaces by radiologists.

Magnetic and Nematic Orders of the Two-Dimensional Electron Gas at Oxide (111) Surfaces and Interfaces

NASA Astrophysics Data System (ADS)

Boudjada, Nazim; Wachtel, Gideon; Paramekanti, Arun

2018-02-01

Recent experiments have explored two-dimensional electron gases (2DEGs) at oxide (111) surfaces and interfaces, finding evidence for hexagonal symmetry breaking in SrTiO3 at low temperature. We discuss many-body instabilities of such (111) 2DEGs, incorporating multiorbital interactions in the t2 g manifold which can induce diverse magnetic and orbital orders. Such broken symmetries may partly account for the observed nematicity, cooperating or competing with phonon mechanisms. We present an effective field theory for the interplay of magnetism and nematic charge order, and discuss implications of the nematicity for transport and superconductivity in (111) 2DEGs.

Anisotropic mean-square displacements in two-dimensional colloidal crystals of tilted dipoles

NASA Astrophysics Data System (ADS)

Froltsov, V. A.; Likos, C. N.; Löwen, H.; Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.

2005-03-01

Superparamagnetic colloidal particles confined to a flat horizontal air-water interface in an external magnetic field, which is tilted relative to the interface, form anisotropic two-dimensional crystals resulting from their mutual dipole-dipole interactions. Using real-space experiments and harmonic lattice theory we explore the mean-square displacements of the particles in the directions parallel and perpendicular to the in-plane component of the external magnetic field as a function of the tilt angle. We find that the anisotropy of the mean-square displacement behaves nonmonotonically as a function of the tilt angle and does not correlate with the structural anisotropy of the crystal.

A three-dimensional numerical study on instability of sinusoidal flame induced by multiple shock waves

NASA Astrophysics Data System (ADS)

Chen, Xiao; Dong, Gang; Jiang, Hua

2017-04-01

The instabilities of a three-dimensional sinusoidally premixed flame induced by an incident shock wave with Mach = 1.7 and its reshock waves were studied by using the Navier-Stokes (NS) equations with a single-step chemical reaction and a high resolution, 9th-order weighted essentially non-oscillatory scheme. The computational results were validated by the grid independence test and the experimental results in the literature. The computational results show that after the passage of incident shock wave the flame interface develops in symmetric structure accompanied by large-scale transverse vortex structures. After the interactions by successive reshock waves, the flame interface is gradually destabilized and broken up, and the large-scale vortex structures are gradually transformed into small-scale vortex structures. The small-scale vortices tend to be isotropic later. The results also reveal that the evolution of the flame interface is affected by both mixing process and chemical reaction. In order to identify the relationship between the mixing and the chemical reaction, a dimensionless parameter, η , that is defined as the ratio of mixing time scale to chemical reaction time scale, is introduced. It is found that at each interaction stage the effect of chemical reaction is enhanced with time. The enhanced effect of chemical reaction at the interaction stage by incident shock wave is greater than that at the interaction stages by reshock waves. The result suggests that the parameter η can reasonably character the features of flame interface development induced by the multiple shock waves.

Development of an interactive anatomical three-dimensional eye model.

PubMed

Allen, Lauren K; Bhattacharyya, Siddhartha; Wilson, Timothy D

2015-01-01

The discrete anatomy of the eye's intricate oculomotor system is conceptually difficult for novice students to grasp. This is problematic given that this group of muscles represents one of the most common sites of clinical intervention in the treatment of ocular motility disorders and other eye disorders. This project was designed to develop a digital, interactive, three-dimensional (3D) model of the muscles and cranial nerves of the oculomotor system. Development of the 3D model utilized data from the Visible Human Project (VHP) dataset that was refined using multiple forms of 3D software. The model was then paired with a virtual user interface in order to create a novel 3D learning tool for the human oculomotor system. Development of the virtual eye model was done while attempting to adhere to the principles of cognitive load theory (CLT) and the reduction of extraneous load in particular. The detailed approach, digital tools employed, and the CLT guidelines are described herein. © 2014 American Association of Anatomists.

Quantum ratchet in two-dimensional semiconductors with Rashba spin-orbit interaction

PubMed Central

Ang, Yee Sin; Ma, Zhongshui; Zhang, Chao

2015-01-01

Ratchet is a device that produces direct current of particles when driven by an unbiased force. We demonstrate a simple scattering quantum ratchet based on an asymmetrical quantum tunneling effect in two-dimensional electron gas with Rashba spin-orbit interaction (R2DEG). We consider the tunneling of electrons across a square potential barrier sandwiched by interface scattering potentials of unequal strengths on its either sides. It is found that while the intra-spin tunneling probabilities remain unchanged, the inter-spin-subband tunneling probabilities of electrons crossing the barrier in one direction is unequal to that of the opposite direction. Hence, when the system is driven by an unbiased periodic force, a directional flow of electron current is generated. The scattering quantum ratchet in R2DEG is conceptually simple and is capable of converting a.c. driving force into a rectified current without the need of additional symmetry breaking mechanism or external magnetic field. PMID:25598490

The Dimer Interface of the Membrane Type 1 Matrix Metalloproteinase Hemopexin Domain

PubMed Central

Tochowicz, Anna; Goettig, Peter; Evans, Richard; Visse, Robert; Shitomi, Yasuyuki; Palmisano, Ralf; Ito, Noriko; Richter, Klaus; Maskos, Klaus; Franke, Daniel; Svergun, Dmitri; Nagase, Hideaki; Bode, Wolfram; Itoh, Yoshifumi

2011-01-01

Homodimerization is an essential step for membrane type 1 matrix metalloproteinase (MT1-MMP) to activate proMMP-2 and to degrade collagen on the cell surface. To uncover the molecular basis of the hemopexin (Hpx) domain-driven dimerization of MT1-MMP, a crystal structure of the Hpx domain was solved at 1.7 Å resolution. Two interactions were identified as potential biological dimer interfaces in the crystal structure, and mutagenesis studies revealed that the biological dimer possesses a symmetrical interaction where blades II and III of molecule A interact with blades III and II of molecule B. The mutations of amino acids involved in the interaction weakened the dimer interaction of Hpx domains in solution, and incorporation of these mutations into the full-length enzyme significantly inhibited dimer-dependent functions on the cell surface, including proMMP-2 activation, collagen degradation, and invasion into the three-dimensional collagen matrix, whereas dimer-independent functions, including gelatin film degradation and two-dimensional cell migration, were not affected. These results shed light on the structural basis of MT1-MMP dimerization that is crucial to promote cellular invasion. PMID:21193411

The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions.

PubMed

Tochowicz, Anna; Goettig, Peter; Evans, Richard; Visse, Robert; Shitomi, Yasuyuki; Palmisano, Ralf; Ito, Noriko; Richter, Klaus; Maskos, Klaus; Franke, Daniel; Svergun, Dmitri; Nagase, Hideaki; Bode, Wolfram; Itoh, Yoshifumi

2011-03-04

Homodimerization is an essential step for membrane type 1 matrix metalloproteinase (MT1-MMP) to activate proMMP-2 and to degrade collagen on the cell surface. To uncover the molecular basis of the hemopexin (Hpx) domain-driven dimerization of MT1-MMP, a crystal structure of the Hpx domain was solved at 1.7 Å resolution. Two interactions were identified as potential biological dimer interfaces in the crystal structure, and mutagenesis studies revealed that the biological dimer possesses a symmetrical interaction where blades II and III of molecule A interact with blades III and II of molecule B. The mutations of amino acids involved in the interaction weakened the dimer interaction of Hpx domains in solution, and incorporation of these mutations into the full-length enzyme significantly inhibited dimer-dependent functions on the cell surface, including proMMP-2 activation, collagen degradation, and invasion into the three-dimensional collagen matrix, whereas dimer-independent functions, including gelatin film degradation and two-dimensional cell migration, were not affected. These results shed light on the structural basis of MT1-MMP dimerization that is crucial to promote cellular invasion.

Engineering Low Dimensional Materials with van der Waals Interaction

NASA Astrophysics Data System (ADS)

Jin, Chenhao

Two-dimensional van der Waals materials grow into a hot and big field in condensed matter physics in the past decade. One particularly intriguing thing is the possibility to stack different layers together as one wish, like playing a Lego game, which can create artificial structures that do not exist in nature. These new structures can enable rich new physics from interlayer interaction: The interaction is strong, because in low-dimension materials electrons are exposed to the interface and are susceptible to other layers; and the screening of interaction is less prominent. The consequence is rich, not only from the extensive list of two-dimensional materials available nowadays, but also from the freedom of interlayer configuration, such as displacement and twist angle, which creates a gigantic parameter space to play with. On the other hand, however, the huge parameter space sometimes can make it challenging to describe consistently with a single picture. For example, the large periodicity or even incommensurability in van der Waals systems creates difficulty in using periodic boundary condition. Worse still, the huge superlattice unit cell and overwhelming computational efforts involved to some extent prevent the establishment of a simple physical picture to understand the evolution of system properties in the parameter space of interlayer configuration. In the first part of the dissertation, I will focus on classification of the huge parameter space into subspaces, and introduce suitable theoretical approaches for each subspace. For each approach, I will discuss its validity, limitation, general solution, as well as a specific example of application demonstrating how one can obtain the most important effects of interlayer interaction with little computation efforts. Combining all the approaches introduced will provide an analytic solution to cover majority of the parameter space, which will be very helpful in understanding the intuitive physical picture behind the consequence of interlayer interaction, as well as its systematic evolution in the parameter space. Experimentally, optical spectroscopy is a powerful tool to investigate properties of materials, owing to its insusceptibility to extrinsic effects like defects, capability of obtaining information in large spectral range, and the sensitivity to not only density of states but also wavefunction through transition matrix element. Following the classification of interlayer interaction, I will present optical spectroscopy studies of three van der Waals systems: Two-dimensional few layer phosphorene, one-dimensional double-walled nanotubes, and two-dimensional graphene/hexagonal Boron Nitride heterostructure. Experimental results exhibit rich and distinctively different effects of interlayer interaction in these systems, as a demonstration of the colorful physics from the large parameter space. On the other hand, all these cases can be well-described by the methods developed in the theory part, which explains experimental results quantitatively through only a few parameters each with clear physical meaning. Therefore, the formalism given here, both from theoretical and experimental aspects, offers a generally useful methodology to study, understand and design van der Waals materials for both fascinating physics and novel applications.

Protein interactions in 3D: from interface evolution to drug discovery.

PubMed

Winter, Christof; Henschel, Andreas; Tuukkanen, Anne; Schroeder, Michael

2012-09-01

Over the past 10years, much research has been dedicated to the understanding of protein interactions. Large-scale experiments to elucidate the global structure of protein interaction networks have been complemented by detailed studies of protein interaction interfaces. Understanding the evolution of interfaces allows one to identify convergently evolved interfaces which are evolutionary unrelated but share a few key residues and hence have common binding partners. Understanding interaction interfaces and their evolution is an important basis for pharmaceutical applications in drug discovery. Here, we review the algorithms and databases on 3D protein interactions and discuss in detail applications in interface evolution, drug discovery, and interface prediction. Copyright © 2012 Elsevier Inc. All rights reserved.

Predicting the tolerated sequences for proteins and protein interfaces using RosettaBackrub flexible backbone design.

PubMed

Smith, Colin A; Kortemme, Tanja

2011-01-01

Predicting the set of sequences that are tolerated by a protein or protein interface, while maintaining a desired function, is useful for characterizing protein interaction specificity and for computationally designing sequence libraries to engineer proteins with new functions. Here we provide a general method, a detailed set of protocols, and several benchmarks and analyses for estimating tolerated sequences using flexible backbone protein design implemented in the Rosetta molecular modeling software suite. The input to the method is at least one experimentally determined three-dimensional protein structure or high-quality model. The starting structure(s) are expanded or refined into a conformational ensemble using Monte Carlo simulations consisting of backrub backbone and side chain moves in Rosetta. The method then uses a combination of simulated annealing and genetic algorithm optimization methods to enrich for low-energy sequences for the individual members of the ensemble. To emphasize certain functional requirements (e.g. forming a binding interface), interactions between and within parts of the structure (e.g. domains) can be reweighted in the scoring function. Results from each backbone structure are merged together to create a single estimate for the tolerated sequence space. We provide an extensive description of the protocol and its parameters, all source code, example analysis scripts and three tests applying this method to finding sequences predicted to stabilize proteins or protein interfaces. The generality of this method makes many other applications possible, for example stabilizing interactions with small molecules, DNA, or RNA. Through the use of within-domain reweighting and/or multistate design, it may also be possible to use this method to find sequences that stabilize particular protein conformations or binding interactions over others.

Comparing the Microsoft Kinect to a traditional mouse for adjusting the viewed tissue densities of three-dimensional anatomical structures

NASA Astrophysics Data System (ADS)

Juhnke, Bethany; Berron, Monica; Philip, Adriana; Williams, Jordan; Holub, Joseph; Winer, Eliot

2013-03-01

Advancements in medical image visualization in recent years have enabled three-dimensional (3D) medical images to be volume-rendered from magnetic resonance imaging (MRI) and computed tomography (CT) scans. Medical data is crucial for patient diagnosis and medical education, and analyzing these three-dimensional models rather than two-dimensional (2D) slices would enable more efficient analysis by surgeons and physicians, especially non-radiologists. An interaction device that is intuitive, robust, and easily learned is necessary to integrate 3D modeling software into the medical community. The keyboard and mouse configuration does not readily manipulate 3D models because these traditional interface devices function within two degrees of freedom, not the six degrees of freedom presented in three dimensions. Using a familiar, commercial-off-the-shelf (COTS) device for interaction would minimize training time and enable maximum usability with 3D medical images. Multiple techniques are available to manipulate 3D medical images and provide doctors more innovative ways of visualizing patient data. One such example is windowing. Windowing is used to adjust the viewed tissue density of digital medical data. A software platform available at the Virtual Reality Applications Center (VRAC), named Isis, was used to visualize and interact with the 3D representations of medical data. In this paper, we present the methodology and results of a user study that examined the usability of windowing 3D medical imaging using a Kinect™ device compared to a traditional mouse.

Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures.

PubMed

Kandemir, Ali; Ozden, Ayberk; Cagin, Tahir; Sevik, Cem

2017-01-01

Various theoretical and experimental methods are utilized to investigate the thermal conductivity of nanostructured materials; this is a critical parameter to increase performance of thermoelectric devices. Among these methods, equilibrium molecular dynamics (EMD) is an accurate technique to predict lattice thermal conductivity. In this study, by means of systematic EMD simulations, thermal conductivity of bulk Si-Ge structures (pristine, alloy and superlattice) and their nanostructured one dimensional forms with square and circular cross-section geometries (asymmetric and symmetric) are calculated for different crystallographic directions. A comprehensive temperature analysis is evaluated for selected structures as well. The results show that one-dimensional structures are superior candidates in terms of their low lattice thermal conductivity and thermal conductivity tunability by nanostructuring, such as by diameter modulation, interface roughness, periodicity and number of interfaces. We find that thermal conductivity decreases with smaller diameters or cross section areas. Furthermore, interface roughness decreases thermal conductivity with a profound impact. Moreover, we predicted that there is a specific periodicity that gives minimum thermal conductivity in symmetric superlattice structures. The decreasing thermal conductivity is due to the reducing phonon movement in the system due to the effect of the number of interfaces that determine regimes of ballistic and wave transport phenomena. In some nanostructures, such as nanowire superlattices, thermal conductivity of the Si/Ge system can be reduced to nearly twice that of an amorphous silicon thermal conductivity. Additionally, it is found that one crystal orientation, [Formula: see text]100[Formula: see text], is better than the [Formula: see text]111[Formula: see text] crystal orientation in one-dimensional and bulk SiGe systems. Our results clearly point out the importance of lattice thermal conductivity engineering in bulk and nanostructures to produce high-performance thermoelectric materials.

Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures

PubMed Central

Kandemir, Ali; Ozden, Ayberk; Cagin, Tahir; Sevik, Cem

2017-01-01

Various theoretical and experimental methods are utilized to investigate the thermal conductivity of nanostructured materials; this is a critical parameter to increase performance of thermoelectric devices. Among these methods, equilibrium molecular dynamics (EMD) is an accurate technique to predict lattice thermal conductivity. In this study, by means of systematic EMD simulations, thermal conductivity of bulk Si-Ge structures (pristine, alloy and superlattice) and their nanostructured one dimensional forms with square and circular cross-section geometries (asymmetric and symmetric) are calculated for different crystallographic directions. A comprehensive temperature analysis is evaluated for selected structures as well. The results show that one-dimensional structures are superior candidates in terms of their low lattice thermal conductivity and thermal conductivity tunability by nanostructuring, such as by diameter modulation, interface roughness, periodicity and number of interfaces. We find that thermal conductivity decreases with smaller diameters or cross section areas. Furthermore, interface roughness decreases thermal conductivity with a profound impact. Moreover, we predicted that there is a specific periodicity that gives minimum thermal conductivity in symmetric superlattice structures. The decreasing thermal conductivity is due to the reducing phonon movement in the system due to the effect of the number of interfaces that determine regimes of ballistic and wave transport phenomena. In some nanostructures, such as nanowire superlattices, thermal conductivity of the Si/Ge system can be reduced to nearly twice that of an amorphous silicon thermal conductivity. Additionally, it is found that one crystal orientation, <100>, is better than the <111> crystal orientation in one-dimensional and bulk SiGe systems. Our results clearly point out the importance of lattice thermal conductivity engineering in bulk and nanostructures to produce high-performance thermoelectric materials. PMID:28469733

Two-dimensional spinodal interface in one-step grown graphene-molybdenum carbide heterostructures

NASA Astrophysics Data System (ADS)

Qiao, Jia-Bin; Gong, Yue; Liu, Haiwen; Shi, Jin-An; Gu, Lin; He, Lin

2018-05-01

Heterostructures made by stacking different materials on top of each other are expected to exhibit unusual properties and new phenomena. Interface of the heterostructures plays a vital role in determining their properties. Here, we report the observation of a two-dimensional (2D) spinodal interface in graphene-molybdenum carbide (α -M o2C ) heterostructures, which arises from spinodal decomposition occurring at the heterointerface, by using scanning tunneling microscopy. Our experiment demonstrates that the 2D spinodal interface modulates graphene into whispering gallery resonant networks filled with quasibound states of massless Dirac fermions. Moreover, below the superconducting transition temperature of the underlying α -M o2C , the 2D spinodal interface behaves as disorders, resulting in the breakdown of the proximity-induced superconductivity in graphene. Our result sheds light on tuning properties of heterostructures based on interface engineering.

Electron Solvation in Two Dimensions

NASA Astrophysics Data System (ADS)

Miller, A. D.; Bezel, I.; Gaffney, K. J.; Garrett-Roe, S.; Liu, S. H.; Szymanski, P.; Harris, C. B.

2002-08-01

Ultrafast two-photon photoemission has been used to study electron solvation at two-dimensional metal/polar-adsorbate interfaces. The molecular motion that causes the excess electron solvation is manifested as a dynamic shift in the electronic energy. Although the initially excited electron is delocalized in the plane of the interface, interactions with the adsorbate can lead to its localization. A method for determining the spatial extent of the localized electron in the plane of the interface has been developed. This spatial extent was measured to be on the order of a single adsorbate molecule.

Two-dimensional assemblies of soft repulsive colloids confined at fluid interfaces

NASA Astrophysics Data System (ADS)

Isa, L.; Buttinoni, I.; Fernandez-Rodriguez, M. A.; Vasudevan, S. A.

2017-07-01

Colloidal systems are an excellent example of a materials class for which interrogating fundamental questions leads to answers of direct applied relevance. In our group, we in particular focus on two-dimensional assemblies of micro- and nano-particles confined at the interface between two fluids, e.g., oil-water. Here, we review our work on systems interacting through soft repulsive forces of different origin, i.e., electrostatic and steric. By starting from the paradigmatic case of charged colloids at an interface, we show how they are both offering great opportunities as model systems to investigate the structural and mechanical response of materials and as versatile patterning tools for surface nanostructuring. We then move to the case of deformable particles interacting via steric contacts. We first examine microgel particles, which we also demonstrate as very promising models for structural investigations and robust elements for tunable nanolithography. We conclude by briefly discussing the case of particles comprising a hard inorganic core and a deformable polymer shell, which maintain some of the advantageous features of microgel particles, but also enable the realization of two-dimensional functional materials. This article offers our perspective on a very active field of research, where many interesting developments are expected in the near future. Contribution to the Focus Issue Self-assemblies of Inorganic and Organic Nanomaterials edited by Marie-Paule Pileni.

Photoelectron spectroscopy of Ar/Cu(100) interface states

NASA Astrophysics Data System (ADS)

Rohleder, M.; Berthold, W.; Güdde, J.; Höfer, U.

2007-08-01

Buried interface states in Ar/Cu(100) were studied by means of one- and two-photon photoemission experiments. With increasing Ar overlayer thickness, a transition from broad electron scattering resonances in the Ar conduction band into a hydrogen-like series of quasi-bound states at the Ar/Cu interface was observed. The thickness dependence of energies and lifetimes is compared to theoretical resonance positions and linewidths derived from a parameterized one-dimensional potential.

Metallic Interface at the Boundary Between Band and Mott Insulators

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

Kancharla, Srivenkateswara S; Dagotto, Elbio R

2006-01-01

Motivated by experiments on atomically smooth layers of LaTiO3, a Mott insulator, sandwiched between layers of SrTiO3, a band insulator, a simple model for such heterostructures is studied using quasi one-dimensional lattices and the Lanczos method. Taking both the local and long-range Coulomb interactions into account, and computing the layer dependent local density of states, a metallic state was found at the interface whose extent strongly depends on the dielectric constant of the material. We also observed that the antiferromagnetic correlations in the bulk Mott phase persist into the metallic region. Our conclusions are in excellent agreement with recently reportedmore » results for this model in the opposite limit of infinite dimensions6,7, thus providing an alternative tool to study electronic reconstruction effects in heterostructures.« less

Plexciton Dirac points and topological modes

DOE PAGES

Yuen-Zhou, Joel; Saikin, Semion K.; Zhu, Tony; ...

2016-06-09

Plexcitons are polaritonic modes that result from the strong coupling between excitons and plasmons. Here, we consider plexcitons emerging from the interaction of excitons in an organic molecular layer with surface plasmons in a metallic film. We predict the emergence of Dirac cones in the two-dimensional band-structure of plexcitons due to the inherent alignment of the excitonic transitions in the organic layer. An external magnetic field opens a gap between the Dirac cones if the plexciton system is interfaced with a magneto-optical layer. The resulting energy gap becomes populated with topologically protected one-way modes, which travel at the interface ofmore » this plexcitonic system. Furthermore, our theoretical proposal suggests that plexcitons are a convenient and simple platform for the exploration of exotic phases of matter and for the control of energy flow at the nanoscale.« less

Tunneling spectroscopy of a spiral Luttinger liquid in contact with superconductors

NASA Astrophysics Data System (ADS)

Liu, Dong E.; Levchenko, Alex

2014-03-01

One-dimensional wires with Rashba spin-orbit coupling, magnetic field, and strong electron-electron interactions are described by a spiral Luttinger liquid model. We develop a theory to investigate the tunneling density of states into a spiral Luttinger liquid in contact with superconductors at its two ends. This approach provides a way to disentangle the delicate interplay between superconducting correlations and strong electron interactions. If the wire-superconductor boundary is dominated by Andreev reflection, we find that in the vicinity of the interface the zero-bias tunneling anomaly reveals a power law enhancement with the unusual exponent. This zero-bias due to Andreev reflections may coexist and thus mask possible peak due to Majorana bound states. Far away from the interface strong correlations inherent to the Luttinger liquid prevail and restore conventional suppression of the tunneling density of states at the Fermi level, which acquires a Friedel-like oscillatory envelope with the period renormalized by the strength of the interaction. D.E.L. was supported by Michigan State University and in part by ARO through Contract No. W911NF-12-1-0235. A.L. acknowledges support from NSF under Grant No. PHYS-1066293, and the hospitality of the Aspen Center for Physics.

Simulation of freshwater-saltwater interfaces in the Brooklyn-Queens aquifer system, Long Island, New York

USGS Publications Warehouse

Kontis, Angelo L.

1999-01-01

The seaward limit of the fresh ground-water system underlying Kings and Queens Counties on Long Island, N.Y., is at the freshwater-saltwater transition zone. This zone has been conceptualized in transient-state, three-dimensional models of the aquifer system as a sharp interface between freshwater and saltwater, and represented as a stationary, zero lateral-flow boundary. In this study, a pair of two-dimensional, four-layer ground-water flow models representing a generalized vertical section in Kings County and one in adjacent Queens County were developed to evaluate the validity of the boundary condition used in three-dimensional models of the aquifer system. The two-dimensional simulations used a model code that can simulate the movement of a sharp interface in response to transient stress. Sensitivity of interface movement to four factors was analyzed; these were (1) the method of simulating vertical leakage between freshwater and saltwater; (2) recharge at the normal rate, at 50-percent of the normal rate, and at zero for a prolonged (3-year) period; (3) high, medium, and low pumping rates; and (4) pumping from a hypothetical cluster of wells at two locations. Results indicate that the response of the interfaces to the magnitude and duration of pumping and the location of the hypothetical wells is probably sufficiently slow that the interfaces in three-dimensional models can reasonably be approximated as stationary, zero-lateral- flow boundaries.

Bicylindrical model of Herschel-Quincke tube-duct system: theory and comparison with experiment and finite element method.

PubMed

Poirier, B; Ville, J M; Maury, C; Kateb, D

2009-09-01

An analytical three dimensional bicylindrical model is developed in order to take into account the effects of the saddle-shaped area for the interface of a n-Herschel-Quincke tube system with the main duct. Results for the scattering matrix of this system deduced from this model are compared, in the plane wave frequency domain, versus experimental and numerical data and a one dimensional model with and without tube length correction. The results are performed with a two-Herschel-Quincke tube configuration having the same diameter as the main duct. In spite of strong assumptions on the acoustic continuity conditions at the interfaces, this model is shown to improve the nonperiodic amplitude variations and the frequency localization of the minima of the transmission and reflection coefficients with respect to one dimensional model with length correction and a three dimensional model.

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.

DataHigh: Graphical user interface for visualizing and interacting with high-dimensional neural activity

PubMed Central

Cowley, Benjamin R.; Kaufman, Matthew T.; Churchland, Mark M.; Ryu, Stephen I.; Shenoy, Krishna V.; Yu, Byron M.

2013-01-01

The activity of tens to hundreds of neurons can be succinctly summarized by a smaller number of latent variables extracted using dimensionality reduction methods. These latent variables define a reduced-dimensional space in which we can study how population activity varies over time, across trials, and across experimental conditions. Ideally, we would like to visualize the population activity directly in the reduced-dimensional space, whose optimal dimensionality (as determined from the data) is typically greater than 3. However, direct plotting can only provide a 2D or 3D view. To address this limitation, we developed a Matlab graphical user interface (GUI) that allows the user to quickly navigate through a continuum of different 2D projections of the reduced-dimensional space. To demonstrate the utility and versatility of this GUI, we applied it to visualize population activity recorded in premotor and motor cortices during reaching tasks. Examples include single-trial population activity recorded using a multi-electrode array, as well as trial-averaged population activity recorded sequentially using single electrodes. Because any single 2D projection may provide a misleading impression of the data, being able to see a large number of 2D projections is critical for intuition- and hypothesis-building during exploratory data analysis. The GUI includes a suite of additional interactive tools, including playing out population activity timecourses as a movie and displaying summary statistics, such as covariance ellipses and average timecourses. The use of visualization tools like the GUI developed here, in tandem with dimensionality reduction methods, has the potential to further our understanding of neural population activity. PMID:23366954

DataHigh: graphical user interface for visualizing and interacting with high-dimensional neural activity.

PubMed

Cowley, Benjamin R; Kaufman, Matthew T; Churchland, Mark M; Ryu, Stephen I; Shenoy, Krishna V; Yu, Byron M

2012-01-01

The activity of tens to hundreds of neurons can be succinctly summarized by a smaller number of latent variables extracted using dimensionality reduction methods. These latent variables define a reduced-dimensional space in which we can study how population activity varies over time, across trials, and across experimental conditions. Ideally, we would like to visualize the population activity directly in the reduced-dimensional space, whose optimal dimensionality (as determined from the data) is typically greater than 3. However, direct plotting can only provide a 2D or 3D view. To address this limitation, we developed a Matlab graphical user interface (GUI) that allows the user to quickly navigate through a continuum of different 2D projections of the reduced-dimensional space. To demonstrate the utility and versatility of this GUI, we applied it to visualize population activity recorded in premotor and motor cortices during reaching tasks. Examples include single-trial population activity recorded using a multi-electrode array, as well as trial-averaged population activity recorded sequentially using single electrodes. Because any single 2D projection may provide a misleading impression of the data, being able to see a large number of 2D projections is critical for intuition-and hypothesis-building during exploratory data analysis. The GUI includes a suite of additional interactive tools, including playing out population activity timecourses as a movie and displaying summary statistics, such as covariance ellipses and average timecourses. The use of visualization tools like the GUI developed here, in tandem with dimensionality reduction methods, has the potential to further our understanding of neural population activity.

imDEV: a graphical user interface to R multivariate analysis tools in Microsoft Excel.

PubMed

Grapov, Dmitry; Newman, John W

2012-09-01

Interactive modules for Data Exploration and Visualization (imDEV) is a Microsoft Excel spreadsheet embedded application providing an integrated environment for the analysis of omics data through a user-friendly interface. Individual modules enables interactive and dynamic analyses of large data by interfacing R's multivariate statistics and highly customizable visualizations with the spreadsheet environment, aiding robust inferences and generating information-rich data visualizations. This tool provides access to multiple comparisons with false discovery correction, hierarchical clustering, principal and independent component analyses, partial least squares regression and discriminant analysis, through an intuitive interface for creating high-quality two- and a three-dimensional visualizations including scatter plot matrices, distribution plots, dendrograms, heat maps, biplots, trellis biplots and correlation networks. Freely available for download at http://sourceforge.net/projects/imdev/. Implemented in R and VBA and supported by Microsoft Excel (2003, 2007 and 2010).

A preliminary investigation of the growth of an aneurysm with a multiscale monolithic Fluid-Structure interaction solver

NASA Astrophysics Data System (ADS)

Cerroni, D.; Manservisi, S.; Pozzetti, G.

2015-11-01

In this work we investigate the potentialities of multi-scale engineering techniques to approach complex problems related to biomedical and biological fields. In particular we study the interaction between blood and blood vessel focusing on the presence of an aneurysm. The study of each component of the cardiovascular system is very difficult due to the fact that the movement of the fluid and solid is determined by the rest of system through dynamical boundary conditions. The use of multi-scale techniques allows us to investigate the effect of the whole loop on the aneurysm dynamic. A three-dimensional fluid-structure interaction model for the aneurysm is developed and coupled to a mono-dimensional one for the remaining part of the cardiovascular system, where a point zero-dimensional model for the heart is provided. In this manner it is possible to achieve rigorous and quantitative investigations of the cardiovascular disease without loosing the system dynamic. In order to study this biomedical problem we use a monolithic fluid-structure interaction (FSI) model where the fluid and solid equations are solved together. The use of a monolithic solver allows us to handle the convergence issues caused by large deformations. By using this monolithic approach different solid and fluid regions are treated as a single continuum and the interface conditions are automatically taken into account. In this way the iterative process characteristic of the commonly used segregated approach, it is not needed any more.

An immersed-boundary method for flow–structure interaction in biological systems with application to phonation

PubMed Central

Luo, Haoxiang; Mittal, Rajat; Zheng, Xudong; Bielamowicz, Steven A.; Walsh, Raymond J.; Hahn, James K.

2008-01-01

A new numerical approach for modeling a class of flow–structure interaction problems typically encountered in biological systems is presented. In this approach, a previously developed, sharp-interface, immersed-boundary method for incompressible flows is used to model the fluid flow and a new, sharp-interface Cartesian grid, immersed boundary method is devised to solve the equations of linear viscoelasticity that governs the solid. The two solvers are coupled to model flow–structure interaction. This coupled solver has the advantage of simple grid generation and efficient computation on simple, single-block structured grids. The accuracy of the solid-mechanics solver is examined by applying it to a canonical problem. The solution methodology is then applied to the problem of laryngeal aerodynamics and vocal fold vibration during human phonation. This includes a three-dimensional eigen analysis for a multi-layered vocal fold prototype as well as two-dimensional, flow-induced vocal fold vibration in a modeled larynx. Several salient features of the aerodynamics as well as vocal-fold dynamics are presented. PMID:19936017

Three-Dimensional Tracking of Interfacial Hopping Diffusion

NASA Astrophysics Data System (ADS)

Wang, Dapeng; Wu, Haichao; Schwartz, Daniel K.

2017-12-01

Theoretical predictions have suggested that molecular motion at interfaces—which influences processes including heterogeneous catalysis, (bio)chemical sensing, lubrication and adhesion, and nanomaterial self-assembly—may be dominated by hypothetical "hops" through the adjacent liquid phase, where a diffusing molecule readsorbs after a given hop according to a probabilistic "sticking coefficient." Here, we use three-dimensional (3D) single-molecule tracking to explicitly visualize this process for human serum albumin at solid-liquid interfaces that exert varying electrostatic interactions on the biomacromolecule. Following desorption from the interface, a molecule experiences multiple unproductive surface encounters before readsorption. An average of approximately seven surface collisions is required for the repulsive surfaces, decreasing to approximately two and a half for surfaces that are more attractive. The hops themselves are also influenced by long-range interactions, with increased electrostatic repulsion causing hops of longer duration and distance. These findings explicitly demonstrate that interfacial diffusion is dominated by biased 3D Brownian motion involving bulk-surface coupling and that it can be controlled by influencing short- and long-range adsorbate-surface interactions.

Radiograph and passive data analysis using mixed variable optimization

DOEpatents

Temple, Brian A.; Armstrong, Jerawan C.; Buescher, Kevin L.; Favorite, Jeffrey A.

2015-06-02

Disclosed herein are representative embodiments of methods, apparatus, and systems for performing radiography analysis. For example, certain embodiments perform radiographic analysis using mixed variable computation techniques. One exemplary system comprises a radiation source, a two-dimensional detector for detecting radiation transmitted through a object between the radiation source and detector, and a computer. In this embodiment, the computer is configured to input the radiographic image data from the two-dimensional detector and to determine one or more materials that form the object by using an iterative analysis technique that selects the one or more materials from hierarchically arranged solution spaces of discrete material possibilities and selects the layer interfaces from the optimization of the continuous interface data.

Rapid prototyping 3D virtual world interfaces within a virtual factory environment

NASA Technical Reports Server (NTRS)

Kosta, Charles Paul; Krolak, Patrick D.

1993-01-01

On-going work into user requirements analysis using CLIPS (NASA/JSC) expert systems as an intelligent event simulator has led to research into three-dimensional (3D) interfaces. Previous work involved CLIPS and two-dimensional (2D) models. Integral to this work was the development of the University of Massachusetts Lowell parallel version of CLIPS, called PCLIPS. This allowed us to create both a Software Bus and a group problem-solving environment for expert systems development. By shifting the PCLIPS paradigm to use the VEOS messaging protocol we have merged VEOS (HlTL/Seattle) and CLIPS into a distributed virtual worlds prototyping environment (VCLIPS). VCLIPS uses the VEOS protocol layer to allow multiple experts to cooperate on a single problem. We have begun to look at the control of a virtual factory. In the virtual factory there are actors and objects as found in our Lincoln Logs Factory of the Future project. In this artificial reality architecture there are three VCLIPS entities in action. One entity is responsible for display and user events in the 3D virtual world. Another is responsible for either simulating the virtual factory or communicating with the real factory. The third is a user interface expert. The interface expert maps user input levels, within the current prototype, to control information for the factory. The interface to the virtual factory is based on a camera paradigm. The graphics subsystem generates camera views of the factory on standard X-Window displays. The camera allows for view control and object control. Control or the factory is accomplished by the user reaching into the camera views to perform object interactions. All communication between the separate CLIPS expert systems is done through VEOS.

Virtual Diagnostic Interface: Aerospace Experimentation in the Synthetic Environment

NASA Technical Reports Server (NTRS)

Schwartz, Richard J.; McCrea, Andrew C.

2009-01-01

The Virtual Diagnostics Interface (ViDI) methodology combines two-dimensional image processing and three-dimensional computer modeling to provide comprehensive in-situ visualizations commonly utilized for in-depth planning of wind tunnel and flight testing, real time data visualization of experimental data, and unique merging of experimental and computational data sets in both real-time and post-test analysis. The preparation of such visualizations encompasses the realm of interactive three-dimensional environments, traditional and state of the art image processing techniques, database management and development of toolsets with user friendly graphical user interfaces. ViDI has been under development at the NASA Langley Research Center for over 15 years, and has a long track record of providing unique and insightful solutions to a wide variety of experimental testing techniques and validation of computational simulations. This report will address the various aspects of ViDI and how it has been applied to test programs as varied as NASCAR race car testing in NASA wind tunnels to real-time operations concerning Space Shuttle aerodynamic flight testing. In addition, future trends and applications will be outlined in the paper.

Virtual Diagnostic Interface: Aerospace Experimentation in the Synthetic Environment

NASA Technical Reports Server (NTRS)

Schwartz, Richard J.; McCrea, Andrew C.

2010-01-01

The Virtual Diagnostics Interface (ViDI) methodology combines two-dimensional image processing and three-dimensional computer modeling to provide comprehensive in-situ visualizations commonly utilized for in-depth planning of wind tunnel and flight testing, real time data visualization of experimental data, and unique merging of experimental and computational data sets in both real-time and post-test analysis. The preparation of such visualizations encompasses the realm of interactive three-dimensional environments, traditional and state of the art image processing techniques, database management and development of toolsets with user friendly graphical user interfaces. ViDI has been under development at the NASA Langley Research Center for over 15 years, and has a long track record of providing unique and insightful solutions to a wide variety of experimental testing techniques and validation of computational simulations. This report will address the various aspects of ViDI and how it has been applied to test programs as varied as NASCAR race car testing in NASA wind tunnels to real-time operations concerning Space Shuttle aerodynamic flight testing. In addition, future trends and applications will be outlined in the paper.

Emotion-prints: interaction-driven emotion visualization on multi-touch interfaces

NASA Astrophysics Data System (ADS)

Cernea, Daniel; Weber, Christopher; Ebert, Achim; Kerren, Andreas

2015-01-01

Emotions are one of the unique aspects of human nature, and sadly at the same time one of the elements that our technological world is failing to capture and consider due to their subtlety and inherent complexity. But with the current dawn of new technologies that enable the interpretation of emotional states based on techniques involving facial expressions, speech and intonation, electrodermal response (EDS) and brain-computer interfaces (BCIs), we are finally able to access real-time user emotions in various system interfaces. In this paper we introduce emotion-prints, an approach for visualizing user emotional valence and arousal in the context of multi-touch systems. Our goal is to offer a standardized technique for representing user affective states in the moment when and at the location where the interaction occurs in order to increase affective self-awareness, support awareness in collaborative and competitive scenarios, and offer a framework for aiding the evaluation of touch applications through emotion visualization. We show that emotion-prints are not only independent of the shape of the graphical objects on the touch display, but also that they can be applied regardless of the acquisition technique used for detecting and interpreting user emotions. Moreover, our representation can encode any affective information that can be decomposed or reduced to Russell's two-dimensional space of valence and arousal. Our approach is enforced by a BCI-based user study and a follow-up discussion of advantages and limitations.

The stability of aluminium oxide monolayer and its interface with two-dimensional materials

NASA Astrophysics Data System (ADS)

Song, Ting Ting; Yang, Ming; Chai, Jian Wei; Callsen, Martin; Zhou, Jun; Yang, Tong; Zhang, Zheng; Pan, Ji Sheng; Chi, Dong Zhi; Feng, Yuan Ping; Wang, Shi Jie

2016-07-01

The miniaturization of future electronic devices requires the knowledge of interfacial properties between two-dimensional channel materials and high-κ dielectrics in the limit of one atomic layer thickness. In this report, by combining particle-swarm optimization method with first-principles calculations, we present a detailed study of structural, electronic, mechanical, and dielectric properties of Al2O3 monolayer. We predict that planar Al2O3 monolayer is globally stable with a direct band gap of 5.99 eV and thermal stability up to 1100 K. The stability of this high-κ oxide monolayer can be enhanced by substrates such as graphene, for which the interfacial interaction is found to be weak. The band offsets between the Al2O3 monolayer and graphene are large enough for electronic applications. Our results not only predict a stable high-κ oxide monolayer, but also improve the understanding of interfacial properties between a high-κ dielectric monolayer and two-dimensional material.

IMPETUS - Interactive MultiPhysics Environment for Unified Simulations.

PubMed

Ha, Vi Q; Lykotrafitis, George

2016-12-08

We introduce IMPETUS - Interactive MultiPhysics Environment for Unified Simulations, an object oriented, easy-to-use, high performance, C++ program for three-dimensional simulations of complex physical systems that can benefit a large variety of research areas, especially in cell mechanics. The program implements cross-communication between locally interacting particles and continuum models residing in the same physical space while a network facilitates long-range particle interactions. Message Passing Interface is used for inter-processor communication for all simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Fluid-fluid interfacial mobility from random walks

NASA Astrophysics Data System (ADS)

Barclay, Paul L.; Lukes, Jennifer R.

2017-12-01

Dual control volume grand canonical molecular dynamics is used to perform the first calculation of fluid-fluid interfacial mobilities. The mobility is calculated from one-dimensional random walks of the interface by relating the diffusion coefficient to the interfacial mobility. Three different calculation methods are employed: one using the interfacial position variance as a function of time, one using the mean-squared interfacial displacement, and one using the time-autocorrelation of the interfacial velocity. The mobility is calculated for two liquid-liquid interfaces and one liquid-vapor interface to examine the robustness of the methods. Excellent agreement between the three calculation methods is shown for all the three interfaces, indicating that any of them could be used to calculate the interfacial mobility.

Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool.

PubMed

Licari, Daniele; Baiardi, Alberto; Biczysko, Malgorzata; Egidi, Franco; Latouche, Camille; Barone, Vincenzo

2015-02-15

This article presents the setup and implementation of a graphical user interface (VMS-Draw) for a virtual multifrequency spectrometer. Special attention is paid to ease of use, generality and robustness for a panel of spectroscopic techniques and quantum mechanical approaches. Depending on the kind of data to be analyzed, VMS-Draw produces different types of graphical representations, including two-dimensional or three-dimesional (3D) plots, bar charts, or heat maps. Among other integrated features, one may quote the convolution of stick spectra to obtain realistic line-shapes. It is also possible to analyze and visualize, together with the structure, the molecular orbitals and/or the vibrational motions of molecular systems thanks to 3D interactive tools. On these grounds, VMS-Draw could represent a useful additional tool for spectroscopic studies integrating measurements and computer simulations. Copyright © 2014 Wiley Periodicals, Inc.

Finite-element-based matching of pre- and intraoperative data for image-guided endovascular aneurysm repair

PubMed Central

Dumenil, Aurélien; Kaladji, Adrien; Castro, Miguel; Esneault, Simon; Lucas, Antoine; Rochette, Michel; Goksu, Cemil; Haigron, Pascal

2013-01-01

Endovascular repair of abdominal aortic aneurysms is a well-established technique throughout the medical and surgical communities. Although increasingly indicated, this technique does have some limitations. Because intervention is commonly performed under fluoroscopic control, two-dimensional (2D) visualization of the aneurysm requires the injection of a contrast agent. The projective nature of this imaging modality inevitably leads to topographic errors, and does not give information on arterial wall quality at the time of deployment. A specially-adapted intraoperative navigation interface could increase deployment accuracy and reveal such information, which preoperative three-dimensional (3D) imaging might otherwise provide. One difficulty is the precise matching of preoperative data (images and models) and intraoperative observations affected by anatomical deformations due to tool-tissue interactions. Our proposed solution involves a finite element-based preoperative simulation of tool/tissue interactions, its adaptive tuning regarding patient specific data, and the matching with intra-operative data. The biomechanical model was first tuned on a group of 10 patients and assessed on a second group of 8 patients. PMID:23269745

On the continuity of mean total normal stress in geometrical multiscale cardiovascular problems

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

Blanco, Pablo J., E-mail: pjblanco@lncc.br; INCT-MACC, Instituto Nacional de Ciência e Tecnologia em Medicina Assistida por Computação Científica, Petrópolis; Deparis, Simone, E-mail: simone.deparis@epfl.ch

2013-10-15

In this work an iterative strategy to implicitly couple dimensionally-heterogeneous blood flow models accounting for the continuity of mean total normal stress at interface boundaries is developed. Conservation of mean total normal stress in the coupling of heterogeneous models is mandatory to satisfy energetic consistency between them. Nevertheless, existing methodologies are based on modifications of the Navier–Stokes variational formulation, which are undesired when dealing with fluid–structure interaction or black box codes. The proposed methodology makes possible to couple one-dimensional and three-dimensional fluid–structure interaction models, enforcing the continuity of mean total normal stress while just imposing flow rate data or evenmore » the classical Neumann boundary data to the models. This is accomplished by modifying an existing iterative algorithm, which is also able to account for the continuity of the vessel area, when required. Comparisons are performed to assess differences in the convergence properties of the algorithms when considering the continuity of mean normal stress and the continuity of mean total normal stress for a wide range of flow regimes. Finally, examples in the physiological regime are shown to evaluate the importance, or not, of considering the continuity of mean total normal stress in hemodynamics simulations.« less

Interface-Induced Zeeman-Protected Superconductivity in Ultrathin Crystalline Lead Films

NASA Astrophysics Data System (ADS)

Liu, Yi; Wang, Ziqiao; Zhang, Xuefeng; Liu, Chaofei; Liu, Yongjie; Zhou, Zhimou; Wang, Junfeng; Wang, Qingyan; Liu, Yanzhao; Xi, Chuanying; Tian, Mingliang; Liu, Haiwen; Feng, Ji; Xie, X. C.; Wang, Jian

2018-04-01

Two-dimensional (2D) superconducting systems are of great importance for exploring exotic quantum physics. The recent development of fabrication techniques has stimulated studies of high-quality single-crystalline 2D superconductors, where intrinsic properties give rise to unprecedented physical phenomena. Here, we report the observation of Zeeman-type spin-orbit interaction protected superconductivity (Zeeman-protected superconductivity) in 4-monolayer (ML) to 6-ML crystalline Pb films grown on striped incommensurate Pb layers on Si(111) substrates by molecular beam epitaxy. An anomalously large in-plane critical field far beyond the Pauli limit is detected, which can be attributed to the Zeeman-protected superconductivity due to the in-plane inversion symmetry breaking at the interface. Our work demonstrates that, in superconducting heterostructures, the interface can induce Zeeman-type spin-orbit interactions and modulate the superconductivity.

Nonlocal spin-confinement of electrons in graphene with proximity exchange interaction

NASA Astrophysics Data System (ADS)

Ang, Yee Sin; Liang, Shi-Jun; Ooi, Kelvin J. A.; Zhang, Chao; Ma, Zhongshui; Ang, Lay Kee

In graphene-magnetic-insulator hybrid structure such as graphene-Europium-oxide (EuO-G), proximity induced exchange interaction opens up a spin-dependent bandgap and spin splitting in the Dirac band. We study the bound state formation in a hetero-interface composed of EuO-G. We theoretically predict a remarkable nonlocal spin-confinement effect in EuO-G and show that spin-polarized quasi-1D electron interface state can be generated in a magnetic-field-free channel. Quasiparticle transport mediated by the interface state can be efficiently controlled by the channel width and electrostatic gating. Our results suggest a pathway to further reduce the dimensionality of graphene quasiparticles from 2D to 1D, thus offering an exciting graphene-based platform for the search of exotic 1D physics and spintronic applications.

Interface structure and mechanics between graphene and metal substrates: a first-principles study

NASA Astrophysics Data System (ADS)

Xu, Zhiping; Buehler, Markus J.

2010-12-01

Graphene is a fascinating material not only for technological applications, but also as a test bed for fundamental insights into condensed matter physics due to its unique two-dimensional structure. One of the most intriguing issues is the understanding of the properties of graphene and various substrate materials. In particular, the interfaces between graphene and metal substrates are of critical importance in applications of graphene in integrated electronics, as thermal materials, and in electromechanical devices. Here we investigate the structure and mechanical interactions at a graphene-metal interface through density functional theory (DFT)-based calculations. We focus on copper (111) and nickel (111) surfaces adhered to a monolayer of graphene, and find that their cohesive energy, strength and electronic structure correlate directly with their atomic geometry. Due to the strong coupling between open d-orbitals, the nickel-graphene interface has a much stronger cohesive energy with graphene than copper. We also find that the interface cohesive energy profile features a well-and-shoulder shape that cannot be captured by simple pair-wise models such as the Lennard-Jones potential. Our results provide a detailed understanding of the interfacial properties of graphene-metal systems, and help to predict the performance of graphene-based nanoelectronics and nanocomposites. The availability of structural and energetic data of graphene-metal interfaces could also be useful for the development of empirical force fields for molecular dynamics simulations.

Colloidal membranes: The rich confluence of geometry and liquid crystals

NASA Astrophysics Data System (ADS)

Kaplan, Cihan Nadir

A simple and experimentally realizable model system of chiral symmetry breaking is liquid-crystalline monolayers of aligned, identical hard rods. In these materials, tuning the chirality at the molecular level affects the geometry at systems level, thereby inducing a myriad of morphological transitions. This thesis presents theoretical studies motivated by the rich phenomenology of these colloidal monolayers. High molecular chirality leads to assemblages of rods exhibiting macroscopic handedness. In the first part we consider one such geometry, twisted ribbons, which are minimal surfaces to a double helix. By employing a theoretical approach that combines liquid-crystalline order with the preferred shape, we focus on the phase transition from simple flat monolayers to these twisted structures. In these monolayers, regions of broken chiral symmetry nucleate at the interfaces, as in a chiral smectic A sample. The second part particularly focuses on the detailed structure and thermodynamic stability of two types of observed interfaces, the monolayer edge and domain walls in simple flat monolayers. Both the edge and "twist-walls" are quasi-one-dimensional bands of molecular twist deformations dictated by local chiral interactions and surface energy considerations. We develop a unified theory of these interfaces by utilizing the de Gennes framework accompanied by appropriate surface energy terms. The last part turns to colloidal "cookies", which form in mixtures of rods with opposite handedness. These elegant structures are essentially flat monolayers surrounded by an array of local, three dimensional cusp defects. We reveal the thermodynamic and structural characteristics of cookies. Furthermore, cookies provide us with a simple relation to determine the intrinsic curvature modulus of our model system, an important constant associated with topological properties of membranes. Our results may have impacts on a broader class of soft thin films.

MetaboID: a graphical user interface package for assignment of 1H NMR spectra of bodyfluids and tissues.

PubMed

MacKinnon, Neil; Somashekar, Bagganahalli S; Tripathi, Pratima; Ge, Wencheng; Rajendiran, Thekkelnaycke M; Chinnaiyan, Arul M; Ramamoorthy, Ayyalusamy

2013-01-01

Nuclear magnetic resonance based measurements of small molecule mixtures continues to be confronted with the challenge of spectral assignment. While multi-dimensional experiments are capable of addressing this challenge, the imposed time constraint becomes prohibitive, particularly with the large sample sets commonly encountered in metabolomic studies. Thus, one-dimensional spectral assignment is routinely performed, guided by two-dimensional experiments on a selected sample subset; however, a publicly available graphical interface for aiding in this process is currently unavailable. We have collected spectral information for 360 unique compounds from publicly available databases including chemical shift lists and authentic full resolution spectra, supplemented with spectral information for 25 compounds collected in-house at a proton NMR frequency of 900 MHz. This library serves as the basis for MetaboID, a Matlab-based user interface designed to aid in the one-dimensional spectral assignment process. The tools of MetaboID were built to guide resonance assignment in order of increasing confidence, starting from cursory compound searches based on chemical shift positions to analysis of authentic spike experiments. Together, these tools streamline the often repetitive task of spectral assignment. The overarching goal of the integrated toolbox of MetaboID is to centralize the one dimensional spectral assignment process, from providing access to large chemical shift libraries to providing a straightforward, intuitive means of spectral comparison. Such a toolbox is expected to be attractive to both experienced and new metabolomic researchers as well as general complex mixture analysts. Copyright © 2012 Elsevier Inc. All rights reserved.

Calculation of nanodrop profile from fluid density distribution.

PubMed

Berim, Gersh O; Ruckenstein, Eli

2016-05-01

Two approaches are examined, which can be used to determine the drop profile from the fluid density distributions (FDDs) obtained on the basis of microscopic theories. For simplicity, only two-dimensional (cylindrical, or axisymmetrical) distributions are examined and it is assumed that the fluid is either in contact with a smooth solid or separated from the smooth solid by a lubricating liquid film. The first approach is based on the sharp-kink interface approximation in which the density of the liquid inside and the density of the vapor outside the drop are constant with the exception of the surface layer of the drop where the density is different from the above ones. In this case, the drop profile was calculated by minimizing the total potential energy of the system. The second approach is based on a nonuniform FDD obtained either by the density functional theory or molecular dynamics simulations. To determine the drop profile from such an FDD, which does not contain sharp interfaces, three procedures can be used. In the first two procedures, P1 and P2, the one-dimensional FDDs along straight lines which are parallel to the surface of the solid are extracted from the two-dimensional FDD. Each of those one-dimensional FDDs has a vapor-liquid interface at which the fluid density changes from vapor-like to liquid-like values. Procedure P1 uses the locations of the equimolar dividing surfaces for the one-dimensional FDDs as points of the drop profile. Procedure P2 is based on the assumption that the fluid density is constant on the surface of the drop, that density being selected either arbitrarily or as a fluid density at the location of the equimolar dividing surface for one of the one-dimensional FDDs employed in procedure P1. In the third procedure, P3, which is suggested for the first time in this paper, the one-dimensional FDDs are taken along the straight lines passing through a selected point inside the drop (radial line). Then, the drop profile is calculated like in procedure P1. It is shown, that procedure P3 provides a drop profile which is more reasonable than the other ones. Relationship of the discussed procedures to those used in image analysis is briefly discussed. Copyright © 2016 Elsevier B.V. All rights reserved.

Multiparameter spatio-thermochemical probing of flame–wall interactions advanced with coherent Raman imaging

DOE PAGES

Bohlin, Gustav Alexis; Jainski, Christopher; Patterson, Brian D.; ...

2016-08-10

Ultrabroadband coherent anti-Stokes Ra man spectroscopy (CARS) has been developed for one -dimensional imaging of temperature and major species distributions simultaneously in the near-wall region of a methane/air flame supported on a side-wall-quenching (SWQ) burner. Automatic temporal and spatial overlap of the ~7 femtosecond pump and Stokes pulses is achieved utilizing a two-beam CARS phase-matching scheme, and the crossed ~75 picosecond probe beam provide s excellent spatial sectioning of the probed location. Concurrent detection of N 2, O 2, H 2, CO, CO 2, and CH 4 is demonstrated while high-fidelity flame thermometry is assessed from the N 2 puremore » rotational S-branch in a one-dimensional -CARS imaging configuration. A methane/air premixed flame at lean, stoichiometric, and rich conditions ( Φ = 0.83, 1.0 , and 1.2) and Reynolds number = 5,000 is probed as it quenches against a cooled steel side- wall parallel to the flow providing a persistent flame-wall interaction. Here, an imaging resolution of better than 40 μm is achieved across the field -of-view, thus allowing thermochemical states (temperature and major species) of the thermal boundary layer to be resolved to within ~30 μm of the interface.« less

Multiparameter spatio-thermochemical probing of flame–wall interactions advanced with coherent Raman imaging

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

Bohlin, Gustav Alexis; Jainski, Christopher; Patterson, Brian D.

Ultrabroadband coherent anti-Stokes Ra man spectroscopy (CARS) has been developed for one -dimensional imaging of temperature and major species distributions simultaneously in the near-wall region of a methane/air flame supported on a side-wall-quenching (SWQ) burner. Automatic temporal and spatial overlap of the ~7 femtosecond pump and Stokes pulses is achieved utilizing a two-beam CARS phase-matching scheme, and the crossed ~75 picosecond probe beam provide s excellent spatial sectioning of the probed location. Concurrent detection of N 2, O 2, H 2, CO, CO 2, and CH 4 is demonstrated while high-fidelity flame thermometry is assessed from the N 2 puremore » rotational S-branch in a one-dimensional -CARS imaging configuration. A methane/air premixed flame at lean, stoichiometric, and rich conditions ( Φ = 0.83, 1.0 , and 1.2) and Reynolds number = 5,000 is probed as it quenches against a cooled steel side- wall parallel to the flow providing a persistent flame-wall interaction. Here, an imaging resolution of better than 40 μm is achieved across the field -of-view, thus allowing thermochemical states (temperature and major species) of the thermal boundary layer to be resolved to within ~30 μm of the interface.« less

The control data "GIRAFFE" system for interactive graphic finite element analysis

NASA Technical Reports Server (NTRS)

Park, S.; Brandon, D. M., Jr.

1975-01-01

The Graphical Interface for Finite Elements (GIRAFFE) general purpose interactive graphics application package was described. This system may be used as a pre/post processor for structural analysis computer programs. It facilitates the operations of creating, editing, or reviewing all the structural input/output data on a graphics terminal in a time-sharing mode of operation. An application program for a simple three-dimensional plate problem was illustrated.

Interfacial Interaction in Anodic Aluminum Oxide Templates Modifies Morphology, Surface Area, and Crystallization of Polyamide-6 Nanofibers.

PubMed

Xue, Junhui; Xu, Yizhuang; Jin, Zhaoxia

2016-03-08

Here, we demonstrated that, when the precipitation process of polyamide-6 (PA6) solution happens in cylindrical channels of an anodized aluminum oxide membrane (AAO), interface interactions between a solid surface, solvent, non-solvent, and PA6 will influence the obtained polymer nanostructures, resulting in complex morphologies, increased surface area, and crystallization changes. With the enhancing interaction of PA6 and the AAO surface, the morphology of PA6 nanostructures changes from solid nanofibers, mesoporous, to bamboo-like, while at the same time, metastable γ-phase domains increase in these PA6 nanostructures. Brunauer-Emmett-Teller (BET) surface areas of solid, bamboo-like, and mesoporous PA6 nanofibers rise from 16, 20.9, to 25 m(2)/g. This study shows that interfacial interaction in AAO template fabrication can be used in manipulating the morphology and crystallization of one-dimensional polymer nanostructures. It also provides us a simple and novel method to create porous PA6 nanofibers with a large surface area.

imDEV: a graphical user interface to R multivariate analysis tools in Microsoft Excel

PubMed Central

Grapov, Dmitry; Newman, John W.

2012-01-01

Summary: Interactive modules for Data Exploration and Visualization (imDEV) is a Microsoft Excel spreadsheet embedded application providing an integrated environment for the analysis of omics data through a user-friendly interface. Individual modules enables interactive and dynamic analyses of large data by interfacing R's multivariate statistics and highly customizable visualizations with the spreadsheet environment, aiding robust inferences and generating information-rich data visualizations. This tool provides access to multiple comparisons with false discovery correction, hierarchical clustering, principal and independent component analyses, partial least squares regression and discriminant analysis, through an intuitive interface for creating high-quality two- and a three-dimensional visualizations including scatter plot matrices, distribution plots, dendrograms, heat maps, biplots, trellis biplots and correlation networks. Availability and implementation: Freely available for download at http://sourceforge.net/projects/imdev/. Implemented in R and VBA and supported by Microsoft Excel (2003, 2007 and 2010). Contact: John.Newman@ars.usda.gov Supplementary Information: Installation instructions, tutorials and users manual are available at http://sourceforge.net/projects/imdev/. PMID:22815358

Hybridization-controlled charge transfer and induced magnetism at correlated oxide interfaces

PubMed Central

Grisolia, M.N.; Arora, A.; Valencia, S.; Varela, M.; Abrudan, R.; Weschke, E.; Schierle, E.; Rault, J.E.; Rueff, J.-P.; Barthélémy, A.; Santamaria, J.; Bibes, M.

2015-01-01

At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed valence has led to the discovery of novel two-dimensional states between simple band insulators such as LaAlO3 and SrTiO3. However, many oxides have a more complex electronic structure, with charge, orbital and/or spin orders arising from strong Coulomb interactions between transition metal and oxygen ions. Such electronic correlations offer a rich playground to engineer functional interfaces but their compatibility with the classical band alignment picture remains an open question. Here we show that beyond differences in electron affinities and polar effects, a key parameter determining charge transfer at correlated oxide interfaces is the energy required to alter the covalence of the metal-oxygen bond. Using the perovskite nickelate (RNiO3) family as a template, we probe charge reconstruction at interfaces with gadolinium titanate GdTiO3. X-ray absorption spectroscopy shows that the charge transfer is thwarted by hybridization effects tuned by the rare-earth (R) size. Charge transfer results in an induced ferromagnetic-like state in the nickelate, exemplifying the potential of correlated interfaces to design novel phases. Further, our work clarifies strategies to engineer two-dimensional systems through the control of both doping and covalence. PMID:27158255

Hybridization-controlled charge transfer and induced magnetism at correlated oxide interfaces

NASA Astrophysics Data System (ADS)

Grisolia, M. N.; Varignon, J.; Sanchez-Santolino, G.; Arora, A.; Valencia, S.; Varela, M.; Abrudan, R.; Weschke, E.; Schierle, E.; Rault, J. E.; Rueff, J.-P.; Barthélémy, A.; Santamaria, J.; Bibes, M.

2016-05-01

At interfaces between conventional materials, band bending and alignment are classically controlled by differences in electrochemical potential. Applying this concept to oxides in which interfaces can be polar and cations may adopt a mixed valence has led to the discovery of novel two-dimensional states between simple band insulators such as LaAlO3 and SrTiO3. However, many oxides have a more complex electronic structure, with charge, orbital and/or spin orders arising from strong Coulomb interactions at and between transition metal and oxygen ions. Such electronic correlations offer a rich playground to engineer functional interfaces but their compatibility with the classical band alignment picture remains an open question. Here we show that beyond differences in electron affinities and polar effects, a key parameter determining charge transfer at correlated oxide interfaces is the energy required to alter the covalence of the metal-oxygen bond. Using the perovskite nickelate (RNiO3) family as a template, we probe charge reconstruction at interfaces with gadolinium titanate GdTiO3. X-ray absorption spectroscopy shows that the charge transfer is thwarted by hybridization effects tuned by the rare-earth (R) size. Charge transfer results in an induced ferromagnetic-like state in the nickelate, exemplifying the potential of correlated interfaces to design novel phases. Further, our work clarifies strategies to engineer two-dimensional systems through the control of both doping and covalence.

Do Haptic Representations Help Complex Molecular Learning?

ERIC Educational Resources Information Center

Bivall, Petter; Ainsworth, Shaaron; Tibell, Lena A. E.

2011-01-01

This study explored whether adding a haptic interface (that provides users with somatosensory information about virtual objects by force and tactile feedback) to a three-dimensional (3D) chemical model enhanced students' understanding of complex molecular interactions. Two modes of the model were compared in a between-groups pre- and posttest…

Beyond Linear Syntax: An Image-Oriented Communication Aid

ERIC Educational Resources Information Center

Patel, Rupal; Pilato, Sam; Roy, Deb

2004-01-01

This article presents a novel AAC communication aid based on semantic rather than syntactic schema, leading to more natural message construction. Users interact with a two-dimensional spatially organized image schema, which depicts the semantic structure and contents of the message. An overview of the interface design is presented followed by…

Tunable Orbital-Selective Magnetic Interaction in Tricolor Oxide Interfaces

NASA Astrophysics Data System (ADS)

Cao, Yanwei; Kareev, Michael; Liu, Xiaoran; Choudhury, Debraj; Middey, Srimanta; Meyers, Derek; Chakhalian, Jak

2015-03-01

Recently, several theoretical scenarios of orbital-selective magnetic interactions were proposed to understand the emergence of the unexpected interfacial magnetism in the archetypical SrTiO3-based two-dimensional electron gas systems, the origin of which is still intriguing and not an entirely understood phenomenon in oxide interface physics. Experimentally, however, there thus far lacks a material system to directly demonstrate the magnetic interaction with orbital-selection (dxy vs. dxz/dyz) and eventually manipulate this magnetic interaction. To address this, here we induced 2DEG and localized magnetism into the same SrTiO3 layer by devising the heterostructure LaTiO3/SrTiO3/YTiO3. Combined electrical transport and atomic-resolved scanning transmission electron microscope with electron energy loss spectroscopy revealed that the magnetic localized electrons are formed by the spin transfer from the YTiO3 layer into 2DEG formed at the LaTiO3 /SrTiO3 interface, with the orbital occupancy and strength of the magnetic interaction controlled by the SrTiO3 layer thickness. Our work provides an ideal platform to explore the orbital physics driven by the interfacial magnetism with prospects for exciting spintronic applications.

The growth and breakdown of a vortex-pair in a stably stratified fluid

NASA Astrophysics Data System (ADS)

Advaith, S.; Tinaikar, Aashay; Manu, K. V.; Basu, Saptarshi

2017-11-01

Vortex interaction with density stratification is ubiquitous in nature and applied to various engineering applications. Present study have characterized the spatial and temporal dynamics of the interaction between a vortex and a density stratified interface. The present work is prompted by our research on single tank Thermal Energy Storage (TES) system used in concentrated solar power (CSP) plants where hot and cold fluids are separated by means of density stratification. Rigorous qualitative (High speed Shadowgraph) and quantitative (high speed PIV) studies enable us to have great understanding about vortex formation, propagation, interaction dynamics with density stratified interface, resulted plume characteristics and so on. We have categorized this interaction phenomena in to three different cases based on its nature as non-penetrative, partial penetrative and extensively penetrative. Along with that we have proposed a regime map consisting non-dimensional parameters like Reynolds, Richardson and Atwood numbers which predicts the occurrence above mentioned cases.

Towards a gestural 3D interaction for tangible and three-dimensional GIS visualizations

NASA Astrophysics Data System (ADS)

Partsinevelos, Panagiotis; Agadakos, Ioannis; Pattakos, Nikolas; Maragakis, Michail

2014-05-01

The last decade has been characterized by a significant increase of spatially dependent applications that require storage, visualization, analysis and exploration of geographic information. GIS analysis of spatiotemporal geographic data is operated by highly trained personnel under an abundance of software and tools, lacking interoperability and friendly user interaction. Towards this end, new forms of querying and interaction are emerging, including gestural interfaces. Three-dimensional GIS representations refer to either tangible surfaces or projected representations. Making a 3D tangible geographic representation touch-sensitive may be a convenient solution, but such an approach raises the cost significantly and complicates the hardware and processing required to combine touch-sensitive material (for pinpointing points) with deformable material (for displaying elevations). In this study, a novel interaction scheme upon a three dimensional visualization of GIS data is proposed. While gesture user interfaces are not yet fully acceptable due to inconsistencies and complexity, a non-tangible GIS system where 3D visualizations are projected, calls for interactions that are based on three-dimensional, non-contact and gestural procedures. Towards these objectives, we use the Microsoft Kinect II system which includes a time of flight camera, allowing for a robust and real time depth map generation, along with the capturing and translation of a variety of predefined gestures from different simultaneous users. By incorporating these features into our system architecture, we attempt to create a natural way for users to operate on GIS data. Apart from the conventional pan and zoom features, the key functions addressed for the 3-D user interface is the ability to pinpoint particular points, lines and areas of interest, such as destinations, waypoints, landmarks, closed areas, etc. The first results shown, concern a projected GIS representation where the user selects points and regions of interest while the GIS component responds accordingly by changing the scenario in a natural disaster application. Creating a 3D model representation of geospatial data provides a natural way for users to perceive and interact with space. To the best of our knowledge it is the first attempt to use Kinect II for GIS applications and generally virtual environments using novel Human Computer Interaction methods. Under a robust decision support system, the users are able to interact, combine and computationally analyze information in three dimensions using gestures. This study promotes geographic awareness and education and will prove beneficial for a wide range of geoscience applications including natural disaster and emergency management. Acknowledgements: This work is partially supported under the framework of the "Cooperation 2011" project ATLANTAS (11_SYN_6_1937) funded from the Operational Program "Competitiveness and Entrepreneurship" (co-funded by the European Regional Development Fund (ERDF)) and managed by the Greek General Secretariat for Research and Technology.

Measuring three-dimensional interaction potentials using optical interference.

PubMed

Mojarad, Nassir; Sandoghdar, Vahid; Krishnan, Madhavi

2013-04-22

We describe the application of three-dimensional (3D) scattering interferometric (iSCAT) imaging to the measurement of spatial interaction potentials for nano-objects in solution. We study electrostatically trapped gold particles in a nanofluidic device and present details on axial particle localization in the presence of a strongly reflecting interface. Our results demonstrate high-speed (~kHz) particle tracking with subnanometer localization precision in the axial and average 2.5 nm in the lateral dimension. A comparison of the measured levitation heights of trapped particles with the calculated values for traps of various geometries reveals good agreement. Our work demonstrates that iSCAT imaging delivers label-free, high-speed and accurate 3D tracking of nano-objects conducive to probing weak and long-range interaction potentials in solution.

Scientific Visualization of Radio Astronomy Data using Gesture Interaction

NASA Astrophysics Data System (ADS)

Mulumba, P.; Gain, J.; Marais, P.; Woudt, P.

2015-09-01

MeerKAT in South Africa (Meer = More Karoo Array Telescope) will require software to help visualize, interpret and interact with multidimensional data. While visualization of multi-dimensional data is a well explored topic, little work has been published on the design of intuitive interfaces to such systems. More specifically, the use of non-traditional interfaces (such as motion tracking and multi-touch) has not been widely investigated within the context of visualizing astronomy data. We hypothesize that a natural user interface would allow for easier data exploration which would in turn lead to certain kinds of visualizations (volumetric, multidimensional). To this end, we have developed a multi-platform scientific visualization system for FITS spectral data cubes using VTK (Visualization Toolkit) and a natural user interface to explore the interaction between a gesture input device and multidimensional data space. Our system supports visual transformations (translation, rotation and scaling) as well as sub-volume extraction and arbitrary slicing of 3D volumetric data. These tasks were implemented across three prototypes aimed at exploring different interaction strategies: standard (mouse/keyboard) interaction, volumetric gesture tracking (Leap Motion controller) and multi-touch interaction (multi-touch monitor). A Heuristic Evaluation revealed that the volumetric gesture tracking prototype shows great promise for interfacing with the depth component (z-axis) of 3D volumetric space across multiple transformations. However, this is limited by users needing to remember the required gestures. In comparison, the touch-based gesture navigation is typically more familiar to users as these gestures were engineered from standard multi-touch actions. Future work will address a complete usability test to evaluate and compare the different interaction modalities against the different visualization tasks.

Minimizers with Bounded Action for the High-Dimensional Frenkel-Kontorova Model

NASA Astrophysics Data System (ADS)

Miao, Xue-Qing; Wang, Ya-Nan; Qin, Wen-Xin

In Aubry-Mather theory for monotone twist maps or for one-dimensional Frenkel-Kontorova (FK) model with nearest neighbor interactions, each global minimizer (minimal energy configuration) is naturally Birkhoff. However, this is not true for the one-dimensional FK model with non-nearest neighbor interactions or for the high-dimensional FK model. In this paper, we study the Birkhoff property of minimizers with bounded action for the high-dimensional FK model.

Hybrid-dimensional modelling of two-phase flow through fractured porous media with enhanced matrix fracture transmission conditions

NASA Astrophysics Data System (ADS)

Brenner, Konstantin; Hennicker, Julian; Masson, Roland; Samier, Pierre

2018-03-01

In this work, we extend, to two-phase flow, the single-phase Darcy flow model proposed in [26], [12] in which the (d - 1)-dimensional flow in the fractures is coupled with the d-dimensional flow in the matrix. Three types of so called hybrid-dimensional two-phase Darcy flow models are proposed. They all account for fractures acting either as drains or as barriers, since they allow pressure jumps at the matrix-fracture interfaces. The models also permit to treat gravity dominated flow as well as discontinuous capillary pressure at the material interfaces. The three models differ by their transmission conditions at matrix fracture interfaces: while the first model accounts for the nonlinear two-phase Darcy flux conservations, the second and third ones are based on the linear single phase Darcy flux conservations combined with different approximations of the mobilities. We adapt the Vertex Approximate Gradient (VAG) scheme to this problem, in order to account for anisotropy and heterogeneity aspects as well as for applicability on general meshes. Several test cases are presented to compare our hybrid-dimensional models to the generic equi-dimensional model, in which fractures have the same dimension as the matrix, leading to deep insight about the quality of the proposed reduced models.

Fast Implicit Methods For Elliptic Moving Interface Problems

DTIC Science & Technology

2015-12-11

analyzed, and tested for the Fourier transform of piecewise polynomials given on d-dimensional simplices in D-dimensional Euclidean space. These transforms...evaluation, and one to three orders of magnitude slower than the classical uniform Fast Fourier Transform. Second, bilinear quadratures ---which...a fast algorithm was derived, analyzed, and tested for the Fourier transform of pi ecewise polynomials given on d-dimensional simplices in D

Kondo scattering in δ-doped LaTiO3/SrTiO3 interfaces: Renormalization by spin-orbit interactions

NASA Astrophysics Data System (ADS)

Das, Shubhankar; Rastogi, A.; Wu, Lijun; Zheng, Jin-Cheng; Hossain, Z.; Zhu, Yimei; Budhani, R. C.

2014-08-01

We present a study of δ doping at the LaTiO3/SrTiO3 interface with isostructural antiferromagnetic perovskite LaCrO3 that dramatically alters the properties of the two-dimensional electron gas at the interface. The effects include a reduction in sheet-carrier density, prominence of the low-temperature resistivity minimum, enhancement of weak antilocalization below 10 K, and observation of a strong anisotropic magnetoresistance (MR). The positive and negative MR for out-of-plane and in-plane fields, respectively, and the field and temperature dependencies of MR suggest Kondo scattering by localized Ti3+ moments renormalized by spin-orbit interaction at T < 10 K, with the increased δ-layer thickness. Electron-energy-loss spectroscopy and density functional calculations provide convincing evidence of blocking of electron transfer from LTO to STO by the δ layer.

Effect of interactions between multiple interfaces on the rheological characteristics of double emulsions

NASA Astrophysics Data System (ADS)

Choi, Se Bin; Park, Jae Yong; Moon, Ji Young; Lee, Joon Sang

2018-06-01

In this study, we analyzed the rheological characteristics of double emulsions by using a three-dimensional lattice Boltzmann model. Numerical simulations indicate that interactions between multiple interfaces play a vital role in determining the shear stress on interfaces and affect deformations, which influence the relative viscosity of double emulsions. The large shear stress induced by droplets in contact increases the relative viscosity for high volume fractions. The double emulsions also show shear-thinning behavior, which corresponds with the Carreau model. The interfacial interference between the core and the deforming shell cause the relative viscosity to increase with increasing core-droplet radius. Finally, we investigated the dependence of the double-emulsion viscosity on the core-droplet viscosity. At high shear rates, the relative viscosity increases with increasing core-droplet viscosity. However, the trend is opposite at low shear rates, which results from the high inward flow (Marangoni flow) at low core-droplet viscosity.

ICM: a web server for integrated clustering of multi-dimensional biomedical data.

PubMed

He, Song; He, Haochen; Xu, Wenjian; Huang, Xin; Jiang, Shuai; Li, Fei; He, Fuchu; Bo, Xiaochen

2016-07-08

Large-scale efforts for parallel acquisition of multi-omics profiling continue to generate extensive amounts of multi-dimensional biomedical data. Thus, integrated clustering of multiple types of omics data is essential for developing individual-based treatments and precision medicine. However, while rapid progress has been made, methods for integrated clustering are lacking an intuitive web interface that facilitates the biomedical researchers without sufficient programming skills. Here, we present a web tool, named Integrated Clustering of Multi-dimensional biomedical data (ICM), that provides an interface from which to fuse, cluster and visualize multi-dimensional biomedical data and knowledge. With ICM, users can explore the heterogeneity of a disease or a biological process by identifying subgroups of patients. The results obtained can then be interactively modified by using an intuitive user interface. Researchers can also exchange the results from ICM with collaborators via a web link containing a Project ID number that will directly pull up the analysis results being shared. ICM also support incremental clustering that allows users to add new sample data into the data of a previous study to obtain a clustering result. Currently, the ICM web server is available with no login requirement and at no cost at http://biotech.bmi.ac.cn/icm/. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Spatial interpretation of NASA's Marshall Space Flight Center Payload Operations Control Center using virtual reality technology

NASA Technical Reports Server (NTRS)

Lindsey, Patricia F.

1993-01-01

In its search for higher level computer interfaces and more realistic electronic simulations for measurement and spatial analysis in human factors design, NASA at MSFC is evaluating the functionality of virtual reality (VR) technology. Virtual reality simulation generates a three dimensional environment in which the participant appears to be enveloped. It is a type of interactive simulation in which humans are not only involved, but included. Virtual reality technology is still in the experimental phase, but it appears to be the next logical step after computer aided three-dimensional animation in transferring the viewer from a passive to an active role in experiencing and evaluating an environment. There is great potential for using this new technology when designing environments for more successful interaction, both with the environment and with another participant in a remote location. At the University of North Carolina, a VR simulation of a the planned Sitterson Hall, revealed a flaw in the building's design that had not been observed during examination of the more traditional building plan simulation methods on paper and on computer aided design (CAD) work station. The virtual environment enables multiple participants in remote locations to come together and interact with one another and with the environment. Each participant is capable of seeing herself and the other participants and of interacting with them within the simulated environment.

Scattering of matter waves in spatially inhomogeneous environments

DOE PAGES

Tsitoura, F.; Krüger, P.; Kevrekidis, P. G.; ...

2015-03-30

In this article, we study scattering of quasi-one-dimensional matter waves at an interface of two spatial domains, one with repulsive and one with attractive interatomic interactions. It is shown that the incidence of a Gaussian wave packet from the repulsive to the attractive region gives rise to generation of a soliton train. More specifically, the number of emergent solitons can be controlled, e.g., by the variation of the amplitude or the width of the incoming wave packet. Furthermore, we study the reflectivity of a soliton incident from the attractive region to the repulsive one. We find the reflection coefficient numericallymore » and employ analytical methods, which treat the soliton as a particle (for moderate and large amplitudes) or a quasilinear wave packet (for small amplitudes), to determine the critical soliton momentum (as a function of the soliton amplitude) for which total reflection is observed.« less

Steady-state propagation speed of rupture fronts along one-dimensional frictional interfaces.

PubMed

Amundsen, David Skålid; Trømborg, Jørgen Kjoshagen; Thøgersen, Kjetil; Katzav, Eytan; Malthe-Sørenssen, Anders; Scheibert, Julien

2015-09-01

The rupture of dry frictional interfaces occurs through the propagation of fronts breaking the contacts at the interface. Recent experiments have shown that the velocities of these rupture fronts range from quasistatic velocities proportional to the external loading rate to velocities larger than the shear wave speed. The way system parameters influence front speed is still poorly understood. Here we study steady-state rupture propagation in a one-dimensional (1D) spring-block model of an extended frictional interface for various friction laws. With the classical Amontons-Coulomb friction law, we derive a closed-form expression for the steady-state rupture velocity as a function of the interfacial shear stress just prior to rupture. We then consider an additional shear stiffness of the interface and show that the softer the interface, the slower the rupture fronts. We provide an approximate closed form expression for this effect. We finally show that adding a bulk viscosity on the relative motion of blocks accelerates steady-state rupture fronts and we give an approximate expression for this effect. We demonstrate that the 1D results are qualitatively valid in 2D. Our results provide insights into the qualitative role of various key parameters of a frictional interface on its rupture dynamics. They will be useful to better understand the many systems in which spring-block models have proved adequate, from friction to granular matter and earthquake dynamics.

Web-Based Geospatial Visualization of GPM Data with CesiumJS

NASA Technical Reports Server (NTRS)

Lammers, Matt

2018-01-01

Advancements in the capabilities of JavaScript frameworks and web browsing technology have made online visualization of large geospatial datasets such as those coming from precipitation satellites viable. These data benefit from being visualized on and above a three-dimensional surface. The open-source JavaScript framework CesiumJS (http://cesiumjs.org), developed by Analytical Graphics, Inc., leverages the WebGL protocol to do just that. This presentation will describe how CesiumJS has been used in three-dimensional visualization products developed as part of the NASA Precipitation Processing System (PPS) STORM data-order website. Existing methods of interacting with Global Precipitation Measurement (GPM) Mission data primarily focus on two-dimensional static images, whether displaying vertical slices or horizontal surface/height-level maps. These methods limit interactivity with the robust three-dimensional data coming from the GPM core satellite. Integrating the data with CesiumJS in a web-based user interface has allowed us to create the following products. We have linked with the data-order interface an on-the-fly visualization tool for any GPM/partner satellite orbit. A version of this tool also focuses on high-impact weather events. It enables viewing of combined radar and microwave-derived precipitation data on mobile devices and in a way that can be embedded into other websites. We also have used CesiumJS to visualize a method of integrating gridded precipitation data with modeled wind speeds that animates over time. Emphasis in the presentation will be placed on how a variety of technical methods were used to create these tools, and how the flexibility of the CesiumJS framework facilitates creative approaches to interact with the data.

Terminating DNA Tile Assembly with Nanostructured Caps.

PubMed

Agrawal, Deepak K; Jiang, Ruoyu; Reinhart, Seth; Mohammed, Abdul M; Jorgenson, Tyler D; Schulman, Rebecca

2017-10-24

Precise control over the nucleation, growth, and termination of self-assembly processes is a fundamental tool for controlling product yield and assembly dynamics. Mechanisms for altering these processes programmatically could allow the use of simple components to self-assemble complex final products or to design processes allowing for dynamic assembly or reconfiguration. Here we use DNA tile self-assembly to develop general design principles for building complexes that can bind to a growing biomolecular assembly and terminate its growth by systematically characterizing how different DNA origami nanostructures interact with the growing ends of DNA tile nanotubes. We find that nanostructures that present binding interfaces for all of the binding sites on a growing facet can bind selectively to growing ends and stop growth when these interfaces are presented on either a rigid or floppy scaffold. In contrast, nucleation of nanotubes requires the presentation of binding sites in an arrangement that matches the shape of the structure's facet. As a result, it is possible to build nanostructures that can terminate the growth of existing nanotubes but cannot nucleate a new structure. The resulting design principles for constructing structures that direct nucleation and termination of the growth of one-dimensional nanostructures can also serve as a starting point for programmatically directing two- and three-dimensional crystallization processes using nanostructure design.

Re-forming supercritical quasi-parallel shocks. II - Mechanism for wave generation and front re-formation

NASA Technical Reports Server (NTRS)

Winske, D.; Thomas, V. A.; Omidi, N.; Quest, K. B.

1990-01-01

This paper continues the study of Thomas et al. (1990) in which hybrid simulations of quasi-parallel shocks were performed in one and two spatial dimensions. To identify the wave generation processes, the electromagnetic structure of the shock is examined by performing a number of one-dimensional hybrid simulations of quasi-parallel shocks for various upstream conditions. In addition, numerical experiments were carried out in which the backstreaming ions were removed from calculations to show their fundamental importance in reformation process. The calculations show that the waves are excited before ions can propagate far enough upstream to generate resonant modes. At some later times, the waves are regenerated at the leading edge of the interface, with properties like those of their initial interactions.

Optical sample-position sensing for electrostatic levitation

NASA Technical Reports Server (NTRS)

Sridharan, G.; Chung, S.; Elleman, D.; Whim, W. K.

1989-01-01

A comparative study is conducted for optical position-sensing techniques applicable to micro-G conditions sample-levitation systems. CCD sensors are compared with one- and two-dimensional position detectors used in electrostatic particle levitation. In principle, the CCD camera method can be improved from current resolution levels of 200 microns through the incorporation of a higher-pixel device and more complex digital signal processor interface. Nevertheless, the one-dimensional position detectors exhibited superior, better-than-one-micron resolution.

Identification of key residues for the binding of glucagon to the N-terminal domain of its receptor: an alanine scan and modeling study.

PubMed

Prévost, M; Vertongen, P; Waelbroeck, M

2012-10-01

Glucagon plays an essential role in the glycemia maintenance during fasting, but also aggravates hyperglycemia in diabetic patients. A series of analogues of glucagon were synthesized replacing each amino acid of the C-terminal region (residues 15-29) with alanine. The residues affecting the binding to the glucagon receptor are found to be located on one face of the glucagon helix. Several 3-dimensional models of the N-terminal domain of the glucagon receptor in complex with its ligand peptide were built and used to analyze the peptide-receptor interface in terms of the nature of the peptide residues and the interactions they form with the receptor. The models suggest that glucagon keeps its native helical structure upon binding, and that a large part of the interface formed with the receptor is hydrophobic. We find that in the C-terminal region, F22, V23, M27, and D15 are the most important residues for peptide binding. They bury a large portion of their solvent accessible surface area and make numerous interactions with the receptor mainly of the hydrophobic type. © Georg Thieme Verlag KG Stuttgart · New York.

The kink-soliton and antikink-soliton in quasi-one-dimensional nonlinear monoatomic lattice

NASA Astrophysics Data System (ADS)

Xu, Quan; Tian, Qiang

2005-04-01

The quasi-one-dimensional nonlinear monoatomic lattice is analyzed. The kink-soliton and antikink-soliton are presented. When the interaction of the lattice is strong in the x-direction and weak in the y-direction, the two-dimensional (2D) lattice changes to a quasi-one-dimensional lattice. Taking nearest-neighbor interaction into account, the vibration equation can be transformed into the KPI, KPII and MKP equation. Considering the cubic nonlinear potential of the vibration in the lattice, the kink-soliton solution is presented. Considering the quartic nonlinear potential and the cubic interaction potential, the kink-soliton and antikink-soliton solutions are presented.

Microstructural Characterization of the U-9.1Mo Fuel/AA6061 Cladding Interface in Friction-Bonded Monolithic Fuel Plates Irradiated in the RERTR-6 Experiment

NASA Astrophysics Data System (ADS)

Keiser, Dennis D.; Jue, Jan-Fong; Miller, Brandon; Gan, Jian; Robinson, Adam; Medvedev, Pavel; Madden, James; Wachs, Dan; Clark, Curtis; Meyer, Mitch

2015-09-01

Low-enrichment (235U < 20 pct) U-Mo monolithic fuel is being developed for use in research and test reactors. The earliest design for this fuel that was investigated via reactor testing consisted of a nominally U-10Mo fuel foil encased in AA6061 (Al-6061) cladding. For a fuel design to be deemed adequate for final use in a reactor, it must maintain dimensional stability and retain fission products throughout irradiation, which means that there must be good integrity at the fuel foil/cladding interface. To investigate the nature of the fuel/cladding interface for this fuel type after irradiation, fuel plates were fabricated using a friction bonding process, tested in INL's advanced test reactor (ATR), and then subsequently characterized using optical metallography, scanning electron microscopy, and transmission electron microscopy. Results of this characterization showed that the fuel/cladding interaction layers present at the U-Mo fuel/AA6061 cladding interface after fabrication became amorphous during irradiation. Up to two main interaction layers, based on composition, could be found at the fuel/cladding interface, depending on location. After irradiation, an Al-rich layer contained very few fission gas bubbles, but did exhibit Xe enrichment near the AA6061 cladding interface. Another layer, which contained more Si, had more observable fission gas bubbles. In the samples produced using a focused ion beam at the interaction zone/AA6061 cladding interface, possible indications of porosity/debonding were found, which suggested that the interface in this location is relatively weak.

Patterns of amino acid conservation in human and animal immunodeficiency viruses.

PubMed

Voitenko, Olga S; Dhroso, Andi; Feldmann, Anna; Korkin, Dmitry; Kalinina, Olga V

2016-09-01

Due to their high genomic variability, RNA viruses and retroviruses present a unique opportunity for detailed study of molecular evolution. Lentiviruses, with HIV being a notable example, are one of the best studied viral groups: hundreds of thousands of sequences are available together with experimentally resolved three-dimensional structures for most viral proteins. In this work, we use these data to study specific patterns of evolution of the viral proteins, and their relationship to protein interactions and immunogenicity. We propose a method for identification of two types of surface residues clusters with abnormal conservation: extremely conserved and extremely variable clusters. We identify them on the surface of proteins from HIV and other animal immunodeficiency viruses. Both types of clusters are overrepresented on the interaction interfaces of viral proteins with other proteins, nucleic acids or low molecular-weight ligands, both in the viral particle and between the virus and its host. In the immunodeficiency viruses, the interaction interfaces are not more conserved than the corresponding proteins on an average, and we show that extremely conserved clusters coincide with protein-protein interaction hotspots, predicted as the residues with the largest energetic contribution to the interaction. Extremely variable clusters have been identified here for the first time. In the HIV-1 envelope protein gp120, they overlap with known antigenic sites. These antigenic sites also contain many residues from extremely conserved clusters, hence representing a unique interacting interface enriched both in extremely conserved and in extremely variable clusters of residues. This observation may have important implication for antiretroviral vaccine development. A Python package is available at https://bioinf.mpi-inf.mpg.de/publications/viral-ppi-pred/ voitenko@mpi-inf.mpg.de or kalinina@mpi-inf.mpg.de Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

NLSEmagic: Nonlinear Schrödinger equation multi-dimensional Matlab-based GPU-accelerated integrators using compact high-order schemes

NASA Astrophysics Data System (ADS)

Caplan, R. M.

2013-04-01

We present a simple to use, yet powerful code package called NLSEmagic to numerically integrate the nonlinear Schrödinger equation in one, two, and three dimensions. NLSEmagic is a high-order finite-difference code package which utilizes graphic processing unit (GPU) parallel architectures. The codes running on the GPU are many times faster than their serial counterparts, and are much cheaper to run than on standard parallel clusters. The codes are developed with usability and portability in mind, and therefore are written to interface with MATLAB utilizing custom GPU-enabled C codes with the MEX-compiler interface. The packages are freely distributed, including user manuals and set-up files. Catalogue identifier: AEOJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOJ_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 124453 No. of bytes in distributed program, including test data, etc.: 4728604 Distribution format: tar.gz Programming language: C, CUDA, MATLAB. Computer: PC, MAC. Operating system: Windows, MacOS, Linux. Has the code been vectorized or parallelized?: Yes. Number of processors used: Single CPU, number of GPU processors dependent on chosen GPU card (max is currently 3072 cores on GeForce GTX 690). Supplementary material: Setup guide, Installation guide. RAM: Highly dependent on dimensionality and grid size. For typical medium-large problem size in three dimensions, 4GB is sufficient. Keywords: Nonlinear Schröodinger Equation, GPU, high-order finite difference, Bose-Einstien condensates. Classification: 4.3, 7.7. Nature of problem: Integrate solutions of the time-dependent one-, two-, and three-dimensional cubic nonlinear Schrödinger equation. Solution method: The integrators utilize a fully-explicit fourth-order Runge-Kutta scheme in time and both second- and fourth-order differencing in space. The integrators are written to run on NVIDIA GPUs and are interfaced with MATLAB including built-in visualization and analysis tools. Restrictions: The main restriction for the GPU integrators is the amount of RAM on the GPU as the code is currently only designed for running on a single GPU. Unusual features: Ability to visualize real-time simulations through the interaction of MATLAB and the compiled GPU integrators. Additional comments: Setup guide and Installation guide provided. Program has a dedicated web site at www.nlsemagic.com. Running time: A three-dimensional run with a grid dimension of 87×87×203 for 3360 time steps (100 non-dimensional time units) takes about one and a half minutes on a GeForce GTX 580 GPU card.

Three-dimensional interaction and movements of various dislocations in anisotropic bicrystals with semicoherent interfaces

NASA Astrophysics Data System (ADS)

Vattré, A.; Pan, E.

2018-07-01

Lattice dislocation interactions with semicoherent interfaces are investigated by means of anisotropic field solutions in metallic homo- and hetero-structures. The present framework is based on the mathematically elegant and computationally powerful Stroh formalism, combining further with the Fourier integral and series transforms, which cover different shapes and dimensions of various extrinsic and intrinsic dislocations. Two-dimensional equi-spaced arrays of straight lattice dislocations and finite arrangements of piled-up dislocations as well as any polygonal and elliptical dislocation loops in three dimensions are considered using a superposition scheme. Self, image and Peach-Koehler forces are derived to compute the equilibrium dislocation positions in pile-ups, including the internal structures and energetics of the interfacial dislocation networks. For illustration, the effects due to the elastic and misfit mismatches are discussed in the pure misfit Au/Cu and heterophase Cu/Nb systems, while discrepancies resulting from the approximation of isotropic elasticity are clearly exhibited. These numerical examples not only feature and enhance the existing works in anisotropic bimaterials, but also promote a novel opportunity of analyzing the equilibrium shapes of planar glide dislocation loops at nanoscale.

Nanoscale β-nuclear magnetic resonance depth imaging of topological insulators

PubMed Central

Koumoulis, Dimitrios; Morris, Gerald D.; He, Liang; Kou, Xufeng; King, Danny; Wang, Dong; Hossain, Masrur D.; Wang, Kang L.; Fiete, Gregory A.; Kanatzidis, Mercouri G.; Bouchard, Louis-S.

2015-01-01

Considerable evidence suggests that variations in the properties of topological insulators (TIs) at the nanoscale and at interfaces can strongly affect the physics of topological materials. Therefore, a detailed understanding of surface states and interface coupling is crucial to the search for and applications of new topological phases of matter. Currently, no methods can provide depth profiling near surfaces or at interfaces of topologically inequivalent materials. Such a method could advance the study of interactions. Herein, we present a noninvasive depth-profiling technique based on β-detected NMR (β-NMR) spectroscopy of radioactive 8Li+ ions that can provide “one-dimensional imaging” in films of fixed thickness and generates nanoscale views of the electronic wavefunctions and magnetic order at topological surfaces and interfaces. By mapping the 8Li nuclear resonance near the surface and 10-nm deep into the bulk of pure and Cr-doped bismuth antimony telluride films, we provide signatures related to the TI properties and their topological nontrivial characteristics that affect the electron–nuclear hyperfine field, the metallic shift, and magnetic order. These nanoscale variations in β-NMR parameters reflect the unconventional properties of the topological materials under study, and understanding the role of heterogeneities is expected to lead to the discovery of novel phenomena involving quantum materials. PMID:26124141

Optical spatial solitons at the interface between two dissimilar periodic media: theory and experiment.

PubMed

Suntsov, S; Makris, K G; Christodoulides, D N; Stegeman, G I; Morandotti, R; Volatier, M; Aimez, V; Arès, R; Yang, E H; Salamo, G

2008-07-07

Discrete spatial solitons traveling along the interface between two dissimilar one-dimensional arrays of waveguides were observed for the first time. Two interface solitons were found theoretically, each one with a peak in a different boundary channel. One evolves into a soliton from a linear mode at an array separation larger than a critical separation where-as the second soliton always exhibits a power threshold. These solitons exhibited different power thresholds which depended on the characteristics of the two lattices. For excitation of single channels near and at the boundary, the evolution behavior with propagation distance indicates that the solitons peaked near and at the interface experience an attractive potential on one side of the boundary, and a repulsive one on the opposite side. The power dependence of the solitons at variable distance from the boundary was found to be quite different on opposite sides of the interface and showed evidence for soliton switching between channels with increasing input power.

Interactive Spectral Analysis and Computation (ISAAC)

NASA Technical Reports Server (NTRS)

Lytle, D. M.

1992-01-01

Isaac is a task in the NSO external package for IRAF. A descendant of a FORTRAN program written to analyze data from a Fourier transform spectrometer, the current implementation has been generalized sufficiently to make it useful for general spectral analysis and other one dimensional data analysis tasks. The user interface for Isaac is implemented as an interpreted mini-language containing a powerful, programmable vector calculator. Built-in commands provide much of the functionality needed to produce accurate line lists from input spectra. These built-in functions include automated spectral line finding, least squares fitting of Voigt profiles to spectral lines including equality constraints, various filters including an optimal filter construction tool, continuum fitting, and various I/O functions.

Virtual gap element approach for the treatment of non-matching interface using three-dimensional solid elements

NASA Astrophysics Data System (ADS)

Song, Yeo-Ul; Youn, Sung-Kie; Park, K. C.

2017-10-01

A method for three-dimensional non-matching interface treatment with a virtual gap element is developed. When partitioned structures contain curved interfaces and have different brick meshes, the discretized models have gaps along the interfaces. As these gaps bring unexpected errors, special treatments are required to handle the gaps. In the present work, a virtual gap element is introduced to link the frame and surface domain nodes in the frame work of the mortar method. Since the surface of the hexahedron element is quadrilateral, the gap element is pyramidal. The pyramidal gap element consists of four domain nodes and one frame node. Zero-strain condition in the gap element is utilized for the interpolation of frame nodes in terms of the domain nodes. This approach is taken to satisfy the momentum and energy conservation. The present method is applicable not only to curved interfaces with gaps, but also to flat interfaces in three dimensions. Several numerical examples are given to describe the effectiveness and accuracy of the proposed method.

Interface formation in monolayer graphene-boron nitride heterostructures.

PubMed

Sutter, P; Cortes, R; Lahiri, J; Sutter, E

2012-09-12

The ability to control the formation of interfaces between different materials has become one of the foundations of modern materials science. With the advent of two-dimensional (2D) crystals, low-dimensional equivalents of conventional interfaces can be envisioned: line boundaries separating different materials integrated in a single 2D sheet. Graphene and hexagonal boron nitride offer an attractive system from which to build such 2D heterostructures. They are isostructural, nearly lattice-matched, and isoelectronic, yet their different band structures promise interesting functional properties arising from their integration. Here, we use a combination of in situ microscopy techniques to study the growth and interface formation of monolayer graphene-boron nitride heterostructures on ruthenium. In a sequential chemical vapor deposition process, boron nitride grows preferentially at the edges of existing monolayer graphene domains, which can be exploited for synthesizing continuous 2D membranes of graphene embedded in boron nitride. High-temperature growth leads to intermixing near the interface, similar to interfacial alloying in conventional heterostructures. Using real-time microscopy, we identify processes that eliminate this intermixing and thus pave the way to graphene-boron nitride heterostructures with atomically sharp interfaces.

Effect of intermolecular dipole-dipole interactions on interfacial supramolecular structures of C3-symmetric hexa-peri-hexabenzocoronene derivatives.

PubMed

Mu, Zhongcheng; Shao, Qi; Ye, Jun; Zeng, Zebing; Zhao, Yang; Hng, Huey Hoon; Boey, Freddy Yin Chiang; Wu, Jishan; Chen, Xiaodong

2011-02-15

Two-dimensional (2D) supramolecular assemblies of a series of novel C(3)-symmetric hexa-peri-hexabenzocoronene (HBC) derivatives bearing different substituents adsorbed on highly oriented pyrolytic graphite were studied by using scanning tunneling microscopy at a solid-liquid interface. It was found that the intermolecular dipole-dipole interactions play a critical role in controlling the interfacial supramolecular assembly of these C(3)-symmetric HBC derivatives at the solid-liquid interface. The HBC molecule bearing three -CF(3) groups could form 2D honeycomb structures because of antiparallel dipole-dipole interactions, whereas HBC molecules bearing three -CN or -NO(2) groups could form hexagonal superstructures because of a special trimeric arrangement induced by dipole-dipole interactions and weak hydrogen bonding interactions ([C-H···NC-] or [C-H···O(2)N-]). Molecular mechanics and dynamics simulations were performed to reveal the physics behind the 2D structures as well as detailed functional group interactions. This work provides an example of how intermolecular dipole-dipole interactions could enable fine control over the self-assembly of disklike π-conjugated molecules.

Three-dimensional user interfaces for scientific visualization

NASA Technical Reports Server (NTRS)

Vandam, Andries

1995-01-01

The main goal of this project is to develop novel and productive user interface techniques for creating and managing visualizations of computational fluid dynamics (CFD) datasets. We have implemented an application framework in which we can visualize computational fluid dynamics user interfaces. This UI technology allows users to interactively place visualization probes in a dataset and modify some of their parameters. We have also implemented a time-critical scheduling system which strives to maintain a constant frame-rate regardless of the number of visualization techniques. In the past year, we have published parts of this research at two conferences, the research annotation system at Visualization 1994, and the 3D user interface at UIST 1994. The real-time scheduling system has been submitted to SIGGRAPH 1995 conference. Copies of these documents are included with this report.

Theoretical investigation of magnetic properties in interfaces of magnetic nanoparticles and amorphous carbons

NASA Astrophysics Data System (ADS)

Sun, Shih-Jye; Hsu, Hua-Shu; Ovchinnikov, Sergei; Chen, Guan-Long

2017-06-01

Based on the experimental finding of the exchange bias in amorphous carbon samples with embedded Co nanoparticles and on the graphited character of the amorphous carbon interface confirmed by molecular dynamics simulations we have proposed the interface of graphited carbon to be antiferromagnetic. A theoretical model, which comprises the Kondo interactions in the interfaces of Co nanoparticles and the induced antiferromagnetic interactions in the graphited carbons, is employed to evaluate the ferromagnetism of the interfaces of Co nanoparticles. We have shown that the ferromagnetism of interfaces of Co nanoparticles will be enhanced by the increase of antiferromagnetic interaction as well as the increase of electron density in the graphited carbons. In particular, we found that the antiferromagnetic interactions in graphited carbons will change the spin-wave excitation in interfaces of Co nanoparticles from the quasiacoustic mode to the quasioptical one.

Selective enhancement of Selényi rings induced by the cross-correlation between the interfaces of a two-dimensional randomly rough dielectric film

NASA Astrophysics Data System (ADS)

Banon, J.-P.; Hetland, Ø. S.; Simonsen, I.

2018-02-01

By the use of both perturbative and non-perturbative solutions of the reduced Rayleigh equation, we present a detailed study of the scattering of light from two-dimensional weakly rough dielectric films. It is shown that for several rough film configurations, Selényi interference rings exist in the diffusely scattered light. For film systems supported by dielectric substrates where only one of the two interfaces of the film is weakly rough and the other planar, Selényi interference rings are observed at angular positions that can be determined from simple phase arguments. For such single-rough-interface films, we find and explain by a single scattering model that the contrast in the interference patterns is better when the top interface of the film (the interface facing the incident light) is rough than when the bottom interface is rough. When both film interfaces are rough, Selényi interference rings exist but a potential cross-correlation of the two rough interfaces of the film can be used to selectively enhance some of the interference rings while others are attenuated and might even disappear. This feature may in principle be used in determining the correlation properties of interfaces of films that otherwise would be difficult to access.

Nonlinear shear wave interaction at a frictional interface: energy dissipation and generation of harmonics.

PubMed

Meziane, A; Norris, A N; Shuvalov, A L

2011-10-01

Analytical and numerical modeling of the nonlinear interaction of shear wave with a frictional interface is presented. The system studied is composed of two homogeneous and isotropic elastic solids, brought into frictional contact by remote normal compression. A shear wave, either time harmonic or a narrow band pulse, is incident normal to the interface and propagates through the contact. Two friction laws are considered and the influence on interface behavior is investigated: Coulomb's law with a constant friction coefficient and a slip-weakening friction law which involves static and dynamic friction coefficients. The relationship between the nonlinear harmonics and the dissipated energy, and the dependence on the contact dynamics (friction law, sliding, and tangential stress) and on the normal contact stress are examined in detail. The analytical and numerical results indicate universal type laws for the amplitude of the higher harmonics and for the dissipated energy, properly non-dimensionalized in terms of the pre-stress, the friction coefficient and the incident amplitude. The results suggest that measurements of higher harmonics can be used to quantify friction and dissipation effects of a sliding interface. © 2011 Acoustical Society of America

The Dimensionality and Correlates of Flow in Human-Computer Interactions.

ERIC Educational Resources Information Center

Webster, Jane; And Others

1993-01-01

Defines playfulness in human-computer interactions in terms of flow theory and explores the dimensionality of the flow concept. Two studies are reported that investigated the factor structure and correlates of flow in human-computer interactions: one examined MBA students using Lotus 1-2-3 spreadsheet software, and one examined employees using…

Effect of heat transfer of melt/solid interface shape and solute segregation in Edge-Defined Film-Fed growth - Finite element analysis

NASA Technical Reports Server (NTRS)

Ettouney, H. M.; Brown, R. A.

1982-01-01

The effects of the heat transfer environment in Edge-Defined Film-Fed Growth on melt-solid interface shape and lateral dopant segregation are studied by finite-element analysis of two-dimensional models for heat and mass transfer. Heat transfer configurations are studied that correspond to the uniform surroundings assumed in previous models and to lowand high-speed growth systems. The maximum growth rate for a silicon sheet is calculated and the range of validity of one-dimensional heat transfer models is established. The lateral segregation that results from curvature of the solidification interface is calculated for two solutes, boron and aluminum. In this way, heat transfer is linked directly to the uniformity of the product crystal.

Nearly Interactive Parabolized Navier-Stokes Solver for High Speed Forebody and Inlet Flows

NASA Technical Reports Server (NTRS)

Benson, Thomas J.; Liou, May-Fun; Jones, William H.; Trefny, Charles J.

2009-01-01

A system of computer programs is being developed for the preliminary design of high speed inlets and forebodies. The system comprises four functions: geometry definition, flow grid generation, flow solver, and graphics post-processor. The system runs on a dedicated personal computer using the Windows operating system and is controlled by graphical user interfaces written in MATLAB (The Mathworks, Inc.). The flow solver uses the Parabolized Navier-Stokes equations to compute millions of mesh points in several minutes. Sample two-dimensional and three-dimensional calculations are demonstrated in the paper.

Fully three-dimensional direct numerical simulation of a plunging breaker

NASA Astrophysics Data System (ADS)

Lubin, Pierre; Vincent, Stéphane; Caltagirone, Jean-Paul; Abadie, Stéphane

2003-07-01

The scope of this paper is to show the results obtained for simulating three-dimensional breaking waves by solving the Navier-Stokes equations in air and water. The interface tracking is achieved by a Lax-Wendroff TVD scheme (Total Variation Diminishing), which is able to handle interface reconnections. We first present the equations and the numerical methods used in this work. We then proceed to the study of a three-dimensional plunging breaking wave, using initial conditions corresponding to unstable periodic sinusoidal waves of large amplitudes. We compare the results obtained for two simulations, a longshore depth perturbation has been introduced in the solution of the flow equations in order to see the transition from a two-dimensional velocity field to a fully three-dimensional one after plunging. Breaking processes including overturning, splash-up and breaking induced vortex-like motion beneath the surface are presented and discussed. To cite this article: P. Lubin et al., C. R. Mecanique 331 (2003).

Superconductivity in interacting interfaces of cuprate-based heterostructures

NASA Astrophysics Data System (ADS)

Di Castro, Daniele; Balestrino, Giuseppe

2018-07-01

Low dimensional superconducting systems have been the subject of numerous studies in the recent past, with the aim of achieving a higher and higher critical temperature (T c ). The recent improvement in film deposition techniques has allowed the realization of artificial heterostructures, with atomically flat surfaces and interfaces, where novel properties appear that are not present in the single constituent. For instance, quasi-2D superconductivity was found at the interface between different oxides. In this review we analyze, in particular, the quasi-2D superconductivity occurring at the interface between two non-superconducting oxides, mostly cuprates. Throughout a comparison of the superconducting properties of different oxide heterostructures and superlattices, we propose a phenomenological explanation of the behavior of the T c as a function of the number of conducting CuO2 planes. This is achieved by introducing two different interactions between the superconducting 2D sheets. This interpretation is finally extended also to standard high T c cuprates, contributing to the solution of the long-standing question of the dependence of T c on the number of CuO2 planes in these systems.

Persistent ferromagnetism and topological phase transition at the interface of a superconductor and a topological insulator.

PubMed

Qin, Wei; Zhang, Zhenyu

2014-12-31

At the interface of an s-wave superconductor and a three-dimensional topological insulator, Majorana zero modes and Majorana helical states have been proposed to exist respectively around magnetic vortices and geometrical edges. Here we first show that randomly distributed magnetic impurities at such an interface will induce bound states that broaden into impurity bands inside (but near the edges of) the superconducting gap, which remains open unless the impurity concentration is too high. Next we find that an increase in the superconducting gap suppresses both the oscillation magnitude and the period of the Ruderman-Kittel-Kasuya-Yosida interaction between two magnetic impurities. Within a mean-field approximation, the ferromagnetic Curie temperature is found to be essentially independent of the superconducting gap, an intriguing phenomenon due to a compensation effect between the short-range ferromagnetic and long-range antiferromagnetic interactions. The existence of robust superconductivity and persistent ferromagnetism at the interface allows realization of a novel topological phase transition from a nonchiral to a chiral superconducting state at sufficiently low temperatures, providing a new platform for topological quantum computation.

Influence of dimensionality and interface type on optical and electronic properties of CdS/ZnS core-shell nanocrystals—A first-principles study

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

Kocevski, V., E-mail: vancho.vk@gmail.com, E-mail: vancho.kocevski@physics.uu.se; Eriksson, O.; Gerard, C.

2015-10-28

Semiconducting nanocrystals (NCs) have become one of the leading materials in a variety of applications, mainly due to their size tunable band gap and high intensity emission. Their photoluminescence (PL) properties can be notably improved by capping the nanocrystals with a shell of another semiconductor, making core-shell structures. We focus our study on the CdS/ZnS core-shell nanocrystals that are closely related to extensively studied CdSe/CdS NCs, albeit exhibiting rather different photoluminescence properties. We employ density functional theory to investigate the changes in the electronic and optical properties of these nanocrystals with size, core/shell ratio, and interface structure between the coremore » and the shell. We have found that both the lowest unoccupied eigenstate (LUES) and the highest occupied eigenstate (HOES) wavefunction (WF) are localized in the core of the NCs, with the distribution of the LUES WF being more sensitive to the size and the core/shell ratio. We show that the radiative lifetimes are increasing, and the Coulomb interaction energies decrease with increasing NC size. Furthermore, we investigated the electronic and optical properties of the NCs with different interfaces between the core and the shell and different core types. We find that the different interfaces and core types have rather small influence on the band gaps and the absorption indexes, as well as on the confinement of the HOES and LUES WFs. Also the radiative lifetimes are found to be only slightly influenced by the different structural models. In addition, we compare these results with the previous results for CdSe/CdS NCs, reflecting the different PL properties of these two types of NCs. We argue that the difference in their Coulomb interaction energies is one of the main reasons for their distinct PL properties.« less

Thin-film topological insulators for continuously tunable terahertz absorption

NASA Astrophysics Data System (ADS)

West, D.; Zhang, S. B.

2018-02-01

One of the defining characteristics of a three-dimensional topological insulator (TI) is the appearance of a Dirac cone on its surface when it creates an interface with vacuum. For thin film TIs, however, the Dirac cones on opposite surfaces interact forming a small gap. For the case of three quintuple layers of Bi2Se3, we show that this gap can be continuously tuned between 128 meV and 0 meV with the application of modest perpendicular electric fields of less than 30 meV Å-1. Through both the Hamiltonian model and first-principles density functional theory calculations, we show that the inherent nonlinearity in realistic Dirac cone interaction leads to a gap which can be continuously tuned through the application of an external electric field. This tunability, coupled with the high optical absorption of thin film TIs, make this a very promising platform for terahertz and infrared detection.

Three-dimensional nano-biointerface as a new platform for guiding cell fate.

PubMed

Liu, Xueli; Wang, Shutao

2014-04-21

Three-dimensional nano-biointerface has been emerging as an important topic for chemistry, nanotechnology, and life sciences in recent years. Understanding the exchanges of materials, signals, and energy at biological interfaces has inspired and helped the serial design of three-dimensional nano-biointerfaces. The intimate interactions between cells and nanostructures bring many novel properties, making three-dimensional nano-biointerfaces a powerful platform to guide cell fate in a controllable and accurate way. These advantages and capabilities endow three-dimensional nano-biointerfaces with an indispensable role in developing advanced biological science and technology. This tutorial review is mainly focused on the recent progress of three-dimensional nano-biointerfaces and highlights the new explorations and unique phenomena of three-dimensional nano-biointerfaces for cell-related fundamental studies and biomedical applications. Some basic bio-inspired principles for the design and creation of three-dimensional nano-biointerfaces are also delivered in this review. Current and further challenges of three-dimensional nano-biointerfaces are finally addressed and proposed.

Continuous Three-Dimensional Control of a Virtual Helicopter Using a Motor Imagery Based Brain-Computer Interface

PubMed Central

Doud, Alexander J.; Lucas, John P.; Pisansky, Marc T.; He, Bin

2011-01-01

Brain-computer interfaces (BCIs) allow a user to interact with a computer system using thought. However, only recently have devices capable of providing sophisticated multi-dimensional control been achieved non-invasively. A major goal for non-invasive BCI systems has been to provide continuous, intuitive, and accurate control, while retaining a high level of user autonomy. By employing electroencephalography (EEG) to record and decode sensorimotor rhythms (SMRs) induced from motor imaginations, a consistent, user-specific control signal may be characterized. Utilizing a novel method of interactive and continuous control, we trained three normal subjects to modulate their SMRs to achieve three-dimensional movement of a virtual helicopter that is fast, accurate, and continuous. In this system, the virtual helicopter's forward-backward translation and elevation controls were actuated through the modulation of sensorimotor rhythms that were converted to forces applied to the virtual helicopter at every simulation time step, and the helicopter's angle of left or right rotation was linearly mapped, with higher resolution, from sensorimotor rhythms associated with other motor imaginations. These different resolutions of control allow for interplay between general intent actuation and fine control as is seen in the gross and fine movements of the arm and hand. Subjects controlled the helicopter with the goal of flying through rings (targets) randomly positioned and oriented in a three-dimensional space. The subjects flew through rings continuously, acquiring as many as 11 consecutive rings within a five-minute period. In total, the study group successfully acquired over 85% of presented targets. These results affirm the effective, three-dimensional control of our motor imagery based BCI system, and suggest its potential applications in biological navigation, neuroprosthetics, and other applications. PMID:22046274

Capillary bending of a thin polymer film floating on a liquid bath

NASA Astrophysics Data System (ADS)

Twohig, Timothy; Croll, Andrew B.

Thin elastic films and shells are very important in schemes for the encapsulation and protection of fluids from their environment. Capillary origami is a particularly poignant example of how useful fluid/film structures can be formed. The interactions of fluids on thin-films which themselves lie on another surface (fluid or low friction solid) need to be studied if the differences from fluid-fluid and fluid-solid film interfaces are to be fully appreciated. In this experiment, we examine the triple line that occurs when a fluid is resting on a thin polymer film which is itself floating on a second fluid. The top fluid has a high-energy air/fluid interface which can be minimized by deforming the film in a manner that reduces the total air/fluid interface. We create a one-dimensional experiment in order to isolate the basic physics that occurs as the tension of the top fluid pulls on the thin film. Notably, the 1D geometry removes all the complexity incurred by thin films in biaxial stress states (such as wrinkling, folding and crumpling) from the problem. AFOSR under the Young Investigator Program (FA9550-15-1-0168).

Microstructural Characterization of the U-9.1Mo Fuel/AA6061 Cladding Interface in Friction-Bonded Monolithic Fuel Plates Irradiated in the RERTR-6 Experiment

DOE PAGES

Keiser, Dennis D.; Jue, Jan-Fong; Miller, Brandon; ...

2015-09-03

Low-enrichment (U-235 < 20%) U-Mo monolithic fuel is being developed for use in research and test reactors. The earliest design for this fuel that was investigated via reactor testing was comprised of a nominally U-10Mo fuel foil encased in AA6061 (Al-6061) cladding. For a fuel design to be deemed adequate for final use in a reactor, it must maintain dimensional stability and retain fission products throughout irradiation, which means that there must be good integrity at the fuel foil/cladding interface. To investigate the nature of the fuel/cladding interface for this fuel type after irradiation, fuel plates that were tested inmore » INL's Advanced Test Reactor (ATR) were subsequently characterized using optical metallography, scanning electron microscopy, and transmission electron microscopy. Results of this characterization showed that the fuel/cladding interaction layers present at the U-Mo fuel/AA6061 cladding interface after fabrication became amorphous during irradiation. Up to two main interaction layers, based on composition, could be found at the fuel/cladding interface, depending on location. After irradiation, an Al-rich layer contained very few fission gas bubbles, but did exhibit Xe enrichment near the AA6061 cladding interface. Another layer, which contained more Si, had more observable fission gas bubbles. Adjacent to the AA6061 cladding were Mg-rich precipitates, which was in close proximity to the region where Xe is observed to be enriched. In samples produced using a focused ion beam at the interaction zone/AA6061 cladding interface were possible indications of porosity/debonding, which suggested that the interface in this location is relatively weak.« less

A Head in Virtual Reality: Development of A Dynamic Head and Neck Model

ERIC Educational Resources Information Center

Nguyen, Ngan; Wilson, Timothy D.

2009-01-01

Advances in computer and interface technologies have made it possible to create three-dimensional (3D) computerized models of anatomical structures for visualization, manipulation, and interaction in a virtual 3D environment. In the past few decades, a multitude of digital models have been developed to facilitate complex spatial learning of the…

Adhesion of voids to bimetal interfaces with non-uniform energies

DOE PAGES

Zheng, Shijian; Shao, Shuai; Zhang, Jian; ...

2015-10-21

Interface engineering has become an important strategy for designing radiation-resistant materials. Critical to its success is fundamental understanding of the interactions between interfaces and radiation-induced defects, such as voids. Using transmission electron microscopy, here we report an interesting phenomenon in their interaction, wherein voids adhere to only one side of the bimetal interfaces rather than overlapping them. We show that this asymmetrical void-interface interaction is a consequence of differing surface energies of the two metals and non-uniformity in their interface formation energy. Specifically, voids grow within the phase of lower surface energy and wet only the high-interface energy regions. Furthermore,more » because this outcome cannot be accounted for by wetting of interfaces with uniform internal energy, our report provides experimental evidence that bimetal interfaces contain non-uniform internal energy distributions. Ultimately, this work also indicates that to design irradiation-resistant materials, we can avoid void-interface overlap via tuning the configurations of interfaces.« less

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.

Interactions of large amplitude solitary waves in viscous fluid conduits

NASA Astrophysics Data System (ADS)

Lowman, Nicholas K.; Hoefer, M. A.; El, G. A.

2014-07-01

The free interface separating an exterior, viscous fluid from an intrusive conduit of buoyant, less viscous fluid is known to support strongly nonlinear solitary waves due to a balance between viscosity-induced dispersion and buoyancy-induced nonlinearity. The overtaking, pairwise interaction of weakly nonlinear solitary waves has been classified theoretically for the Korteweg-de Vries equation and experimentally in the context of shallow water waves, but a theoretical and experimental classification of strongly nonlinear solitary wave interactions is lacking. The interactions of large amplitude solitary waves in viscous fluid conduits, a model physical system for the study of one-dimensional, truly dissipationless, dispersive nonlinear waves, are classified. Using a combined numerical and experimental approach, three classes of nonlinear interaction behavior are identified: purely bimodal, purely unimodal, and a mixed type. The magnitude of the dispersive radiation due to solitary wave interactions is quantified numerically and observed to be beyond the sensitivity of our experiments, suggesting that conduit solitary waves behave as "physical solitons." Experimental data are shown to be in excellent agreement with numerical simulations of the reduced model. Experimental movies are available with the online version of the paper.

Applying Pragmatics Principles for Interaction with Visual Analytics.

PubMed

Hoque, Enamul; Setlur, Vidya; Tory, Melanie; Dykeman, Isaac

2018-01-01

Interactive visual data analysis is most productive when users can focus on answering the questions they have about their data, rather than focusing on how to operate the interface to the analysis tool. One viable approach to engaging users in interactive conversations with their data is a natural language interface to visualizations. These interfaces have the potential to be both more expressive and more accessible than other interaction paradigms. We explore how principles from language pragmatics can be applied to the flow of visual analytical conversations, using natural language as an input modality. We evaluate the effectiveness of pragmatics support in our system Evizeon, and present design considerations for conversation interfaces to visual analytics tools.

Topological phases in two-dimensional arrays of parafermionic zero modes

NASA Astrophysics Data System (ADS)

Burrello, M.; van Heck, B.; Cobanera, E.

2013-05-01

It has recently been realized that zero modes with projective non-Abelian statistics, generalizing the notion of Majorana bound states, may exist at the interface between a superconductor and a ferromagnet along the edge of a fractional topological insulator (FTI). Here, we study two-dimensional architectures of these non-Abelian zero modes, whose interactions are generated by the charging and Josephson energies of the superconductors. We derive low-energy Hamiltonians for two different arrays of FTIs on the plane, revealing an interesting interplay between the real-space geometry of the system and its topological properties. On the one hand, in a geometry where the length of the FTI edges is independent on the system size, the array has a topologically ordered phase, giving rise to a qudit toric code Hamiltonian in perturbation theory. On the other hand, in a geometry where the length of the edges scales with system size, we find an exact duality to an Abelian lattice gauge theory and no topological order.

Polyurethane Foam Impact Experiments and Simulations

NASA Astrophysics Data System (ADS)

Kipp, M. E.; Chhabildas, L. C.; Reinhart, W. D.; Wong, M. K.

1999-06-01

Uniaxial strain impact experiments with a rigid polyurethane foam of nominal density 0.22g/cc are reported. A 6 mm thick foam impactor is mounted on the face of a projectile and impacts a thin (1 mm) target plate of aluminum or copper, on which the rear free surface velocity history is acquired with a VISAR. Impact velocities ranged from 300 to 1500 m/s. The velocity record monitors the initial shock from the foam transmitted through the target, followed by a reverberation within the target plate as the wave interacts with the compressed foam at the impact interface and the free recording surface. These one-dimensional uniaxial strain impact experiments were modeled using a traditional p-alpha porous material model for the distended polyurethane, which generally captured the motion imparted to the target by the foam. Some of the high frequency aspects of the data, reflecting the heterogeneous nature of the foam, can be recovered with computations of fully 3-dimensional explicit representations of this porous material.

Integrated ternary artificial nacre via synergistic toughening of reduced graphene oxide/double-walled carbon nanotubes/poly(vinyl alcohol)

NASA Astrophysics Data System (ADS)

Gong, Shanshan; Wu, Mengxi; Jiang, Lei; Cheng, Qunfeng

2016-07-01

The synergistic toughening effect of building blocks and interface interaction exists in natural materials, such as nacre. Herein, inspired by one-dimensional (1D) nanofibrillar chitin and two-dimensional (2D) calcium carbonate platelets of natural nacre, we have fabricated integrated strong and tough ternary bio-inspired nanocomposites (artificial nacre) successfully via the synergistic effect of 2D reduced graphene oxide (rGO) nanosheets and 1D double-walled carbon nanotubes (DWNTs) and hydrogen bonding cross-linking with polyvinyl alcohol (PVA) matrix. Moreover, the crack mechanics model with crack deflection by 2D rGO nanosheets and crack bridging by 1D DWNTs and PVA chains induces resultant artificial nacre exhibiting excellent fatigue-resistance performance. These outstanding characteristics enable the ternary bioinspired nanocomposites have many promising potential applications, for instance, aerospace, flexible electronics devices and so forth. This synergistic toughening strategy also provides an effective way to assemble robust graphene-based nanocomposites.

Reinforcing mechanism of anchors in slopes: a numerical comparison of results of LEM and FEM

NASA Astrophysics Data System (ADS)

Cai, Fei; Ugai, Keizo

2003-06-01

This paper reports the limitation of the conventional Bishop's simplified method to calculate the safety factor of slopes stabilized with anchors, and proposes a new approach to considering the reinforcing effect of anchors on the safety factor. The reinforcing effect of anchors can be explained using an additional shearing resistance on the slip surface. A three-dimensional shear strength reduction finite element method (SSRFEM), where soil-anchor interactions were simulated by three-dimensional zero-thickness elasto-plastic interface elements, was used to calculate the safety factor of slopes stabilized with anchors to verify the reinforcing mechanism of anchors. The results of SSRFEM were compared with those of the conventional and proposed approaches for Bishop's simplified method for various orientations, positions, and spacings of anchors, and shear strengths of soil-grouted body interfaces. For the safety factor, the proposed approach compared better with SSRFEM than the conventional approach. The additional shearing resistance can explain the influence of the orientation, position, and spacing of anchors, and the shear strength of soil-grouted body interfaces on the safety factor of slopes stabilized with anchors.

Extreme mobility enhancement of two-dimensional electron gases at oxide interfaces by charge-transfer-induced modulation doping

NASA Astrophysics Data System (ADS)

Chen, Y. Z.; Trier, F.; Wijnands, T.; Green, R. J.; Gauquelin, N.; Egoavil, R.; Christensen, D. V.; Koster, G.; Huijben, M.; Bovet, N.; Macke, S.; He, F.; Sutarto, R.; Andersen, N. H.; Sulpizio, J. A.; Honig, M.; Prawiroatmodjo, G. E. D. K.; Jespersen, T. S.; Linderoth, S.; Ilani, S.; Verbeeck, J.; van Tendeloo, G.; Rijnders, G.; Sawatzky, G. A.; Pryds, N.

2015-08-01

Two-dimensional electron gases (2DEGs) formed at the interface of insulating complex oxides promise the development of all-oxide electronic devices. These 2DEGs involve many-body interactions that give rise to a variety of physical phenomena such as superconductivity, magnetism, tunable metal-insulator transitions and phase separation. Increasing the mobility of the 2DEG, however, remains a major challenge. Here, we show that the electron mobility is enhanced by more than two orders of magnitude by inserting a single-unit-cell insulating layer of polar La1-xSrxMnO3 (x = 0, 1/8, and 1/3) at the interface between disordered LaAlO3 and crystalline SrTiO3 produced at room temperature. Resonant X-ray spectroscopy and transmission electron microscopy show that the manganite layer undergoes unambiguous electronic reconstruction, leading to modulation doping of such atomically engineered complex oxide heterointerfaces. At low temperatures, the modulation-doped 2DEG exhibits Shubnikov-de Haas oscillations and fingerprints of the quantum Hall effect, demonstrating unprecedented high mobility and low electron density.

Condition of Mechanical Equilibrium at the Phase Interface with Arbitrary Geometry

NASA Astrophysics Data System (ADS)

Zubkov, V. V.; Zubkova, A. V.

2017-09-01

The authors produced an expression for the mechanical equilibrium condition at the phase interface within the force definition of surface tension. This equilibrium condition is the most general one from the mathematical standpoint and takes into account the three-dimensional aspect of surface tension. Furthermore, the formula produced allows describing equilibrium on the fractal surface of the interface. The authors used the fractional integral model of fractal distribution and took the fractional order integrals over Euclidean space instead of integrating over the fractal set.

Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces

DOE PAGES

Zhang, Lipeng; Xu, Haixuan; Kent, Paul R. C.; ...

2016-05-06

The emergence of two-dimensional metallic states at the LaAlO 3/SrTiO 3 (LAO/STO) heterostructure interface is known to occur at a critical thickness of four LAO over layers. This insulator-to-metal transition can be explained through the polar catastrophe mechanism arising from the divergence of the electrostatic potential at the LAO surface. Here, we demonstrate that nanostructuring can be effective in reducing or eliminating this critical thickness. Employing a modified polar catastrophe" model, we demonstrate that the nanowire heterostructure electrostatic potential diverges more rapidly as a function of layer thickness than in a regular heterostructure. Our first principles calculations indicate that formore » nanowire heterostructure geometries a one-dimensional electron gas (1DEG) can be induced, consistent with recent experimental observations of 1D conductivity in LAO/STO steps. Similar to LAO/STO 2DEGs, we predict that the 1D charge density will decay laterally within a few unit cells away from the nanowire; thus providing a mechanism for tuning the carrier behavior between 1D and 2D conductivity. Furthermore, our work provides insight into the creation and manipulation of charge density at an oxide heterostructure interface and therefore may be beneficial for future nanoelectronic devices and for the engineering of novel quantum phases.« less

What Can Interfacial Water Molecules Tell Us About Solute Structure?

NASA Astrophysics Data System (ADS)

Willard, Adam

The molecular structure of bulk liquid water reflects a molecular tendency to engage in tetrahedrally coordinated hydrogen bonding. At a solute interface waters preferred three-dimensional hydrogen bonding network must conform to a locally anisotropy interfacial environment. Interfacial water molecules adopt configurations that balance water-solute and water-water interactions. The arrangements of interfacial water molecules, therefore encode information about the effective solute-water interactions. This solute-specific information is difficult to extract, however, because interfacial structure also reflects waters collective response to an anisotropic hydrogen bonding environment. Here I present a methodology for characterizing the molecular-level structure of liquid water interface from simulation data. This method can be used to explore waters static and/or dynamic response to a wide range of chemically and topologically heterogeneous solutes such as proteins.

A Multifunctional Interface Method for Coupling Finite Element and Finite Difference Methods: Two-Dimensional Scalar-Field Problems

NASA Technical Reports Server (NTRS)

Ransom, Jonathan B.

2002-01-01

A multifunctional interface method with capabilities for variable-fidelity modeling and multiple method analysis is presented. The methodology provides an effective capability by which domains with diverse idealizations can be modeled independently to exploit the advantages of one approach over another. The multifunctional method is used to couple independently discretized subdomains, and it is used to couple the finite element and the finite difference methods. The method is based on a weighted residual variational method and is presented for two-dimensional scalar-field problems. A verification test problem and a benchmark application are presented, and the computational implications are discussed.

GIXSGUI : a MATLAB toolbox for grazing-incidence X-ray scattering data visualization and reduction, and indexing of buried three-dimensional periodic nanostructured films

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

Jiang, Zhang

GIXSGUIis a MATLAB toolbox that offers both a graphical user interface and script-based access to visualize and process grazing-incidence X-ray scattering data from nanostructures on surfaces and in thin films. It provides routine surface scattering data reduction methods such as geometric correction, one-dimensional intensity linecut, two-dimensional intensity reshapingetc. Three-dimensional indexing is also implemented to determine the space group and lattice parameters of buried organized nanoscopic structures in supported thin films.

Eye-gaze and intent: Application in 3D interface control

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

Schryver, J.C.; Goldberg, J.H.

1993-06-01

Computer interface control is typically accomplished with an input ``device`` such as keyboard, mouse, trackball, etc. An input device translates a users input actions, such as mouse clicks and key presses, into appropriate computer commands. To control the interface, the user must first convert intent into the syntax of the input device. A more natural means of computer control is possible when the computer can directly infer user intent, without need of intervening input devices. We describe an application of eye-gaze-contingent control of an interactive three-dimensional (3D) user interface. A salient feature of the user interface is natural input, withmore » a heightened impression of controlling the computer directly by the mind. With this interface, input of rotation and translation are intuitive, whereas other abstract features, such as zoom, are more problematic to match with user intent. This paper describes successes with implementation to date, and ongoing efforts to develop a more sophisticated intent inferencing methodology.« less

Eye-gaze and intent: Application in 3D interface control

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

Schryver, J.C.; Goldberg, J.H.

1993-01-01

Computer interface control is typically accomplished with an input device'' such as keyboard, mouse, trackball, etc. An input device translates a users input actions, such as mouse clicks and key presses, into appropriate computer commands. To control the interface, the user must first convert intent into the syntax of the input device. A more natural means of computer control is possible when the computer can directly infer user intent, without need of intervening input devices. We describe an application of eye-gaze-contingent control of an interactive three-dimensional (3D) user interface. A salient feature of the user interface is natural input, withmore » a heightened impression of controlling the computer directly by the mind. With this interface, input of rotation and translation are intuitive, whereas other abstract features, such as zoom, are more problematic to match with user intent. This paper describes successes with implementation to date, and ongoing efforts to develop a more sophisticated intent inferencing methodology.« less

New faces of porous Prussian blue: interfacial assembly of integrated hetero-structures for sensing applications.

PubMed

Kong, Biao; Selomulya, Cordelia; Zheng, Gengfeng; Zhao, Dongyuan

2015-11-21

Prussian blue (PB), the oldest synthetic coordination compound, is a classic and fascinating transition metal coordination material. Prussian blue is based on a three-dimensional (3-D) cubic polymeric porous network consisting of alternating ferric and ferrous ions, which provides facile assembly as well as precise interaction with active sites at functional interfaces. A fundamental understanding of the assembly mechanism of PB hetero-interfaces is essential to enable the full potential applications of PB crystals, including chemical sensing, catalysis, gas storage, drug delivery and electronic displays. Developing controlled assembly methods towards functionally integrated hetero-interfaces with adjustable sizes and morphology of PB crystals is necessary. A key point in the functional interface and device integration of PB nanocrystals is the fabrication of hetero-interfaces in a well-defined and oriented fashion on given substrates. This review will bring together these key aspects of the hetero-interfaces of PB nanocrystals, ranging from structure and properties, interfacial assembly strategies, to integrated hetero-structures for diverse sensing.

Controlling the growth of multiple ordered heteromolecular phases by utilizing intermolecular repulsion

NASA Astrophysics Data System (ADS)

Henneke, Caroline; Felter, Janina; Schwarz, Daniel; Stefan Tautz, F.; Kumpf, Christian

2017-06-01

Metal/organic interfaces and their structural, electronic, spintronic and thermodynamic properties have been investigated intensively, aiming to improve and develop future electronic devices. In this context, heteromolecular phases add new design opportunities simply by combining different molecules. However, controlling the desired phases in such complex systems is a challenging task. Here, we report an effective way of steering the growth of a bimolecular system composed of adsorbate species with opposite intermolecular interactions--repulsive and attractive, respectively. The repulsive species forms a two-dimensional lattice gas, the density of which controls which crystalline phases are stable. Critical gas phase densities determine the constant-area phase diagram that describes our experimental observations, including eutectic regions with three coexisting phases. We anticipate the general validity of this type of phase diagram for binary systems containing two-dimensional gas phases, and also show that the density of the gas phase allows engineering of the interface structure.

ChemPreview: an augmented reality-based molecular interface.

PubMed

Zheng, Min; Waller, Mark P

2017-05-01

Human computer interfaces make computational science more comprehensible and impactful. Complex 3D structures such as proteins or DNA are magnified by digital representations and displayed on two-dimensional monitors. Augmented reality has recently opened another door to access the virtual three-dimensional world. Herein, we present an augmented reality application called ChemPreview with the potential to manipulate bio-molecular structures at an atomistic level. ChemPreview is available at https://github.com/wallerlab/chem-preview/releases, and is built on top of the Meta 1 platform https://www.metavision.com/. ChemPreview can be used to interact with a protein in an intuitive way using natural hand gestures, thereby making it appealing to computational chemists or structural biologists. The ability to manipulate atoms in real world could eventually provide new and more efficient ways of extracting structural knowledge, or designing new molecules in silico. Copyright © 2017 Elsevier Inc. All rights reserved.

Effect of interfacial interactions on the thermal conductivity and interfacial thermal conductance in tungsten–graphene layered structure

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

Jagannadham, K., E-mail: jag-kasichainula@ncsu.edu

2014-09-01

Graphene film was deposited by microwave plasma assisted deposition on polished oxygen free high conductivity copper foils. Tungsten–graphene layered film was formed by deposition of tungsten film by magnetron sputtering on the graphene covered copper foils. Tungsten film was also deposited directly on copper foil without graphene as the intermediate film. The tungsten–graphene–copper samples were heated at different temperatures up to 900 °C in argon atmosphere to form an interfacial tungsten carbide film. Tungsten film deposited on thicker graphene platelets dispersed on silicon wafer was also heated at 900 °C to identify the formation of tungsten carbide film by reaction of tungstenmore » with graphene platelets. The films were characterized by scanning electron microscopy, Raman spectroscopy, and x-ray diffraction. It was found that tungsten carbide film formed at the interface upon heating only above 650 °C. Transient thermoreflectance signal from the tungsten film surface on the samples was collected and modeled using one-dimensional heat equation. The experimental and modeled results showed that the presence of graphene at the interface reduced the cross-plane effective thermal conductivity and the interfacial thermal conductance of the layer structure. Heating at 650 and 900 °C in argon further reduced the cross-plane thermal conductivity and interface thermal conductance as a result of formation nanocrystalline tungsten carbide at the interface leading to separation and formation of voids. The present results emphasize that interfacial interactions between graphene and carbide forming bcc and hcp elements will reduce the cross-plane effective thermal conductivity in composites.« less

The Effects of Using the Kinect Motion-Sensing Interactive System to Enhance English Learning for Elementary Students

ERIC Educational Resources Information Center

Pan, Wen Fu

2017-01-01

The objective of this study was to test whether the Kinect motion-sensing interactive system (KMIS) enhanced students' English vocabulary learning, while also comparing the system's effectiveness against a traditional computer-mouse interface. Both interfaces utilized an interactive game with a questioning strategy. One-hundred and twenty…

Dacron graft as replacement to dissected aorta: A three-dimensional fluid-structure-interaction analysis.

PubMed

Jayendiran, R; Nour, B M; Ruimi, A

2018-02-01

Aortic dissection (AD) is a serious medical condition characterized by a tear in the intima, the inner layer of the aortic walls. In such occurrence, blood is being diverted to the media (middle) layer and may result in patient death if not quickly attended. In the case where the diseased portion of the aorta needs to be replaced, one common surgical technique is to use a graft made of Dacron, a synthetic fabric. We investigate the response of a composite human aortic segment-Dacron graft structure subjected to blood flow using the three-dimensional fluid-structure-interaction (FSI) capability in Abaqus. We obtain stress and strain profiles in each of the three layers of the aortic walls as well as in the Dacron graft. Results are compared when elastic and hyperelastic models are used and when isotropy vs. anisotropy is assumed. The more complex case (hyperelastic-anisotropy) is represented by the Holzapfel-Gasser-Ogden (HGO) model which also accounts for the orientation of the fibers present in the tissues. The fluid flow is taken as Newtonian, incompressible, pulsatile and turbulent. The simulation show that for all the cases, the von Mises stress distribution at aorta-Dacron interface is well below the ultimate strength of the aorta. No significant change in radial displacement at the interface of the two materials due to blood flow is observed. Computation cost is also addressed and results show that the hyperelastic-anisotropic model takes about three times longer to run than the elastic isotropic case. Trade-off between accuracy and computational cost has to be weighted. Copyright © 2017 Elsevier Ltd. All rights reserved.

Coexistence of superconductivity and ferromagnetism in two dimensions.

PubMed

Dikin, D A; Mehta, M; Bark, C W; Folkman, C M; Eom, C B; Chandrasekhar, V

2011-07-29

Ferromagnetism is usually considered to be incompatible with conventional superconductivity, as it destroys the singlet correlations responsible for the pairing interaction. Superconductivity and ferromagnetism are known to coexist in only a few bulk rare-earth materials. Here we report evidence for their coexistence in a two-dimensional system: the interface between two bulk insulators, LaAlO(3) (LAO) and SrTiO(3) (STO), a system that has been studied intensively recently. Magnetoresistance, Hall, and electric-field dependence measurements suggest that there are two distinct bands of charge carriers that contribute to the interface conductivity. The sensitivity of properties of the interface to an electric field makes this a fascinating system for the study of the interplay between superconductivity and magnetism. © 2011 American Physical Society

Affective three-dimensional brain-computer interface created using a prism array-based display

NASA Astrophysics Data System (ADS)

Mun, Sungchul; Park, Min-Chul

2014-12-01

To avoid the vergence-accommodation mismatch and provide a strong sense of presence to users, we applied a prism array-based display when presenting three-dimensional (3-D) objects. Emotional pictures were used as visual stimuli to increase the signal-to-noise ratios of steady-state visually evoked potentials (SSVEPs) because involuntarily motivated selective attention by affective mechanisms can enhance SSVEP amplitudes, thus producing increased interaction efficiency. Ten male and nine female participants voluntarily participated in our experiments. Participants were asked to control objects under three viewing conditions: two-dimension (2-D), stereoscopic 3-D, and prism. The participants performed each condition in a counter-balanced order. One-way repeated measures analysis of variance showed significant increases in the positive predictive values in the prism condition compared to the 2-D and 3-D conditions. Participants' subjective ratings of realness and engagement were also significantly greater in the prism condition than in the 2-D and 3-D conditions, while the ratings for visual fatigue were significantly reduced in the prism condition than in the 3-D condition. The proposed methods are expected to enhance the sense of reality in 3-D space without causing critical visual fatigue. In addition, people who are especially susceptible to stereoscopic 3-D may be able to use the affective brain-computer interface.

Discontinuous dual-primal mixed finite elements for elliptic problems

NASA Technical Reports Server (NTRS)

Bottasso, Carlo L.; Micheletti, Stefano; Sacco, Riccardo

2000-01-01

We propose a novel discontinuous mixed finite element formulation for the solution of second-order elliptic problems. Fully discontinuous piecewise polynomial finite element spaces are used for the trial and test functions. The discontinuous nature of the test functions at the element interfaces allows to introduce new boundary unknowns that, on the one hand enforce the weak continuity of the trial functions, and on the other avoid the need to define a priori algorithmic fluxes as in standard discontinuous Galerkin methods. Static condensation is performed at the element level, leading to a solution procedure based on the sole interface unknowns. The resulting family of discontinuous dual-primal mixed finite element methods is presented in the one and two-dimensional cases. In the one-dimensional case, we show the equivalence of the method with implicit Runge-Kutta schemes of the collocation type exhibiting optimal behavior. Numerical experiments in one and two dimensions demonstrate the order accuracy of the new method, confirming the results of the analysis.

Visualizing the process of interaction in a 3D environment

NASA Astrophysics Data System (ADS)

Vaidya, Vivek; Suryanarayanan, Srikanth; Krishnan, Kajoli; Mullick, Rakesh

2007-03-01

As the imaging modalities used in medicine transition to increasingly three-dimensional data the question of how best to interact with and analyze this data becomes ever more pressing. Immersive virtual reality systems seem to hold promise in tackling this, but how individuals learn and interact in these environments is not fully understood. Here we will attempt to show some methods in which user interaction in a virtual reality environment can be visualized and how this can allow us to gain greater insight into the process of interaction/learning in these systems. Also explored is the possibility of using this method to improve understanding and management of ergonomic issues within an interface.

Probing Carrier Transport and Structure-Property Relationship of Highly Ordered Organic Semiconductors at the Two-Dimensional Limit.

PubMed

Zhang, Yuhan; Qiao, Jingsi; Gao, Si; Hu, Fengrui; He, Daowei; Wu, Bing; Yang, Ziyi; Xu, Bingchen; Li, Yun; Shi, Yi; Ji, Wei; Wang, Peng; Wang, Xiaoyong; Xiao, Min; Xu, Hangxun; Xu, Jian-Bin; Wang, Xinran

2016-01-08

One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two dimensionally in the first few molecular layers near the dielectric interface. Although the mobility of bulk organic semiconductors has increased dramatically, direct probing of intrinsic charge transport in the two-dimensional limit has not been possible due to excessive disorders and traps in ultrathin organic thin films. Here, highly ordered single-crystalline mono- to tetralayer pentacene crystals are realized by van der Waals (vdW) epitaxy on hexagonal BN. We find that the charge transport is dominated by hopping in the first conductive layer, but transforms to bandlike in subsequent layers. Such an abrupt phase transition is attributed to strong modulation of the molecular packing by interfacial vdW interactions, as corroborated by quantitative structural characterization and density functional theory calculations. The structural modulation becomes negligible beyond the second conductive layer, leading to a mobility saturation thickness of only ∼3  nm. Highly ordered organic ultrathin films provide a platform for new physics and device structures (such as heterostructures and quantum wells) that are not possible in conventional bulk crystals.

Virtual reality and the unfolding of higher dimensions

NASA Astrophysics Data System (ADS)

Aguilera, Julieta C.

2006-02-01

As virtual/augmented reality evolves, the need for spaces that are responsive to structures independent from three dimensional spatial constraints, become apparent. The visual medium of computer graphics may also challenge these self imposed constraints. If one can get used to how projections affect 3D objects in two dimensions, it may also be possible to compose a situation in which to get used to the variations that occur while moving through higher dimensions. The presented application is an enveloping landscape of concave and convex forms, which are determined by the orientation and displacement of the user in relation to a grid made of tesseracts (cubes in four dimensions). The interface accepts input from tridimensional and four-dimensional transformations, and smoothly displays such interactions in real-time. The motion of the user becomes the graphic element whereas the higher dimensional grid references to his/her position relative to it. The user learns how motion inputs affect the grid, recognizing a correlation between the input and the transformations. Mapping information to complex grids in virtual reality is valuable for engineers, artists and users in general because navigation can be internalized like a dance pattern, and further engage us to maneuver space in order to know and experience.

Probing Carrier Transport and Structure-Property Relationship of Highly Ordered Organic Semiconductors at the Two-Dimensional Limit

NASA Astrophysics Data System (ADS)

Zhang, Yuhan; Qiao, Jingsi; Gao, Si; Hu, Fengrui; He, Daowei; Wu, Bing; Yang, Ziyi; Xu, Bingchen; Li, Yun; Shi, Yi; Ji, Wei; Wang, Peng; Wang, Xiaoyong; Xiao, Min; Xu, Hangxun; Xu, Jian-Bin; Wang, Xinran

2016-01-01

One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two dimensionally in the first few molecular layers near the dielectric interface. Although the mobility of bulk organic semiconductors has increased dramatically, direct probing of intrinsic charge transport in the two-dimensional limit has not been possible due to excessive disorders and traps in ultrathin organic thin films. Here, highly ordered single-crystalline mono- to tetralayer pentacene crystals are realized by van der Waals (vdW) epitaxy on hexagonal BN. We find that the charge transport is dominated by hopping in the first conductive layer, but transforms to bandlike in subsequent layers. Such an abrupt phase transition is attributed to strong modulation of the molecular packing by interfacial vdW interactions, as corroborated by quantitative structural characterization and density functional theory calculations. The structural modulation becomes negligible beyond the second conductive layer, leading to a mobility saturation thickness of only ˜3 nm . Highly ordered organic ultrathin films provide a platform for new physics and device structures (such as heterostructures and quantum wells) that are not possible in conventional bulk crystals.

Real-time graphics for the Space Station Freedom cupola, developed in the Systems Engineering Simulator

NASA Technical Reports Server (NTRS)

Red, Michael T.; Hess, Philip W.

1989-01-01

Among the Lyndon B. Johnson Space Center's responsibilities for Space Station Freedom is the cupola. Attached to the resource node, the cupola is a windowed structure that will serve as the space station's secondary control center. From the cupola, operations involving the mobile service center and orbital maneuvering vehicle will be conducted. The Systems Engineering Simulator (SES), located in building 16, activated a real-time man-in-the-loop cupola simulator in November 1987. The SES cupola is an engineering tool with the flexibility to evolve in both hardware and software as the final cupola design matures. Two workstations are simulated with closed-circuit television monitors, rotational and translational hand controllers, programmable display pushbuttons, and graphics display with trackball and keyboard. The displays and controls of the SES cupola are driven by a Silicon Graphics Integrated Raster Imaging System (IRIS) 4D/70 GT computer. Through the use of an interactive display builder program, SES, cupola display pages consisting of two dimensional and three dimensional graphics are constructed. These display pages interact with the SES via the IRIS real-time graphics interface. The focus is on the real-time graphics interface applications software developed on the IRIS.

Effects of Interaction Imbalance in a Strongly Repulsive One-Dimensional Bose Gas

NASA Astrophysics Data System (ADS)

Barfknecht, R. E.; Foerster, A.; Zinner, N. T.

2018-05-01

We calculate the spatial distributions and the dynamics of a few-body two-component strongly interacting Bose gas confined to an effectively one-dimensional trapping potential. We describe the densities for each component in the trap for different interaction and population imbalances. We calculate the time evolution of the system and show that, for a certain ratio of interactions, the minority population travels through the system as an effective wave packet.

Optical Tamm states in one-dimensional magnetophotonic structures.

PubMed

Goto, T; Dorofeenko, A V; Merzlikin, A M; Baryshev, A V; Vinogradov, A P; Inoue, M; Lisyansky, A A; Granovsky, A B

2008-09-12

We demonstrate the existence of a spectrally narrow localized surface state, the so-called optical Tamm state, at the interface between one-dimensional magnetophotonic and nonmagnetic photonic crystals. The state is spectrally located inside the photonic band gaps of each of the photonic crystals comprising this magnetophotonic structure. This state is associated with a sharp transmission peak through the sample and is responsible for the substantial enhancement of the Faraday rotation for the corresponding wavelength. The experimental results are in excellent agreement with the theoretical predictions.

Navigating the fifth dimension: new concepts in interactive multimodality and multidimensional image navigation

NASA Astrophysics Data System (ADS)

Ratib, Osman; Rosset, Antoine; Dahlbom, Magnus; Czernin, Johannes

2005-04-01

Display and interpretation of multi dimensional data obtained from the combination of 3D data acquired from different modalities (such as PET-CT) require complex software tools allowing the user to navigate and modify the different image parameters. With faster scanners it is now possible to acquire dynamic images of a beating heart or the transit of a contrast agent adding a fifth dimension to the data. We developed a DICOM-compliant software for real time navigation in very large sets of 5 dimensional data based on an intuitive multidimensional jog-wheel widely used by the video-editing industry. The software, provided under open source licensing, allows interactive, single-handed, navigation through 3D images while adjusting blending of image modalities, image contrast and intensity and the rate of cine display of dynamic images. In this study we focused our effort on the user interface and means for interactively navigating in these large data sets while easily and rapidly changing multiple parameters such as image position, contrast, intensity, blending of colors, magnification etc. Conventional mouse-driven user interface requiring the user to manipulate cursors and sliders on the screen are too cumbersome and slow. We evaluated several hardware devices and identified a category of multipurpose jogwheel device that is used in the video-editing industry that is particularly suitable for rapidly navigating in five dimensions while adjusting several display parameters interactively. The application of this tool will be demonstrated in cardiac PET-CT imaging and functional cardiac MRI studies.

A topological multilayer model of the human body.

PubMed

Barbeito, Antonio; Painho, Marco; Cabral, Pedro; O'Neill, João

2015-11-04

Geographical information systems deal with spatial databases in which topological models are described with alphanumeric information. Its graphical interfaces implement the multilayer concept and provide powerful interaction tools. In this study, we apply these concepts to the human body creating a representation that would allow an interactive, precise, and detailed anatomical study. A vector surface component of the human body is built using a three-dimensional (3-D) reconstruction methodology. This multilayer concept is implemented by associating raster components with the corresponding vector surfaces, which include neighbourhood topology enabling spatial analysis. A root mean square error of 0.18 mm validated the three-dimensional reconstruction technique of internal anatomical structures. The expansion of the identification and the development of a neighbourhood analysis function are the new tools provided in this model.

One-Dimensional Brownian Motion of Charged Nanoparticles along Microtubules: A Model System for Weak Binding Interactions

PubMed Central

Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko

2010-01-01

Abstract Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs and displayed one-dimensional Brownian motion in a charge-dependent manner, which indicates that nonspecific electrostatic interaction is sufficient for one-dimensional Brownian motion. The diffusion coefficient decreased exponentially with an increasing particle charge (with the exponent being 0.10 kBT per charge), whereas the duration of the interaction increased exponentially (exponent of 0.22 kBT per charge). These results can be explained semiquantitatively if one assumes that a particle repeats a cycle of binding to and movement along an MT until it finally dissociates from the MT. During the movement, a particle is still electrostatically constrained in the potential valley surrounding the MT. This entire process can be described by a three-state model analogous to the Michaelis-Menten scheme, in which the two parameters of the equilibrium constant between binding and movement, and the rate of dissociation from the MT, are derived as a function of the particle charge density. This study highlights the possibility that the weak binding interactions between proteins and rodlike polymers, e.g., MTs, are mediated by a similar, nonspecific charge-dependent mechanism. PMID:20409479

One-dimensional Brownian motion of charged nanoparticles along microtubules: a model system for weak binding interactions.

PubMed

Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko

2010-04-21

Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs and displayed one-dimensional Brownian motion in a charge-dependent manner, which indicates that nonspecific electrostatic interaction is sufficient for one-dimensional Brownian motion. The diffusion coefficient decreased exponentially with an increasing particle charge (with the exponent being 0.10 kBT per charge), whereas the duration of the interaction increased exponentially (exponent of 0.22 kBT per charge). These results can be explained semiquantitatively if one assumes that a particle repeats a cycle of binding to and movement along an MT until it finally dissociates from the MT. During the movement, a particle is still electrostatically constrained in the potential valley surrounding the MT. This entire process can be described by a three-state model analogous to the Michaelis-Menten scheme, in which the two parameters of the equilibrium constant between binding and movement, and the rate of dissociation from the MT, are derived as a function of the particle charge density. This study highlights the possibility that the weak binding interactions between proteins and rodlike polymers, e.g., MTs, are mediated by a similar, nonspecific charge-dependent mechanism. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Integrated multimodal human-computer interface and augmented reality for interactive display applications

NASA Astrophysics Data System (ADS)

Vassiliou, Marius S.; Sundareswaran, Venkataraman; Chen, S.; Behringer, Reinhold; Tam, Clement K.; Chan, M.; Bangayan, Phil T.; McGee, Joshua H.

2000-08-01

We describe new systems for improved integrated multimodal human-computer interaction and augmented reality for a diverse array of applications, including future advanced cockpits, tactical operations centers, and others. We have developed an integrated display system featuring: speech recognition of multiple concurrent users equipped with both standard air- coupled microphones and novel throat-coupled sensors (developed at Army Research Labs for increased noise immunity); lip reading for improving speech recognition accuracy in noisy environments, three-dimensional spatialized audio for improved display of warnings, alerts, and other information; wireless, coordinated handheld-PC control of a large display; real-time display of data and inferences from wireless integrated networked sensors with on-board signal processing and discrimination; gesture control with disambiguated point-and-speak capability; head- and eye- tracking coupled with speech recognition for 'look-and-speak' interaction; and integrated tetherless augmented reality on a wearable computer. The various interaction modalities (speech recognition, 3D audio, eyetracking, etc.) are implemented a 'modality servers' in an Internet-based client-server architecture. Each modality server encapsulates and exposes commercial and research software packages, presenting a socket network interface that is abstracted to a high-level interface, minimizing both vendor dependencies and required changes on the client side as the server's technology improves.

CD4-gp120 interaction interface - a gateway for HIV-1 infection in human: molecular network, modeling and docking studies.

PubMed

Pandey, Deeksha; Podder, Avijit; Pandit, Mansi; Latha, Narayanan

2017-09-01

The major causative agent for Acquired Immune Deficiency Syndrome (AIDS) is Human Immunodeficiency Virus-1 (HIV-1). HIV-1 is a predominant subtype of HIV which counts on human cellular mechanism virtually in every aspect of its life cycle. Binding of viral envelope glycoprotein-gp120 with human cell surface CD4 receptor triggers the early infection stage of HIV-1. This study focuses on the interaction interface between these two proteins that play a crucial role for viral infectivity. The CD4-gp120 interaction interface has been studied through a comprehensive protein-protein interaction network (PPIN) analysis and highlighted as a useful step towards identifying potential therapeutic drug targets against HIV-1 infection. We prioritized gp41, Nef and Tat proteins of HIV-1 as valuable drug targets at early stage of viral infection. Lack of crystal structure has made it difficult to understand the biological implication of these proteins during disease progression. Here, computational protein modeling techniques and molecular dynamics simulations were performed to generate three-dimensional models of these targets. Besides, molecular docking was initiated to determine the desirability of these target proteins for already available HIV-1 specific drugs which indicates the usefulness of these protein structures to identify an effective drug combination therapy against AIDS.

Beta-Strand Interfaces of Non-Dimeric Protein Oligomers Are Characterized by Scattered Charged Residue Patterns

PubMed Central

Feverati, Giovanni; Achoch, Mounia; Zrimi, Jihad; Vuillon, Laurent; Lesieur, Claire

2012-01-01

Protein oligomers are formed either permanently, transiently or even by default. The protein chains are associated through intermolecular interactions constituting the protein interface. The protein interfaces of 40 soluble protein oligomers of stœchiometries above two are investigated using a quantitative and qualitative methodology, which analyzes the x-ray structures of the protein oligomers and considers their interfaces as interaction networks. The protein oligomers of the dataset share the same geometry of interface, made by the association of two individual β-strands (β-interfaces), but are otherwise unrelated. The results show that the β-interfaces are made of two interdigitated interaction networks. One of them involves interactions between main chain atoms (backbone network) while the other involves interactions between side chain and backbone atoms or between only side chain atoms (side chain network). Each one has its own characteristics which can be associated to a distinct role. The secondary structure of the β-interfaces is implemented through the backbone networks which are enriched with the hydrophobic amino acids favored in intramolecular β-sheets (MCWIV). The intermolecular specificity is provided by the side chain networks via positioning different types of charged residues at the extremities (arginine) and in the middle (glutamic acid and histidine) of the interface. Such charge distribution helps discriminating between sequences of intermolecular β-strands, of intramolecular β-strands and of β-strands forming β-amyloid fibers. This might open new venues for drug designs and predictive tool developments. Moreover, the β-strands of the cholera toxin B subunit interface, when produced individually as synthetic peptides, are capable of inhibiting the assembly of the toxin into pentamers. Thus, their sequences contain the features necessary for a β-interface formation. Such β-strands could be considered as ‘assemblons’, independent associating units, by homology to the foldons (independent folding unit). Such property would be extremely valuable in term of assembly inhibitory drug development. PMID:22496732

PolySac3DB: an annotated data base of 3 dimensional structures of polysaccharides.

PubMed

Sarkar, Anita; Pérez, Serge

2012-11-14

Polysaccharides are ubiquitously present in the living world. Their structural versatility makes them important and interesting components in numerous biological and technological processes ranging from structural stabilization to a variety of immunologically important molecular recognition events. The knowledge of polysaccharide three-dimensional (3D) structure is important in studying carbohydrate-mediated host-pathogen interactions, interactions with other bio-macromolecules, drug design and vaccine development as well as material science applications or production of bio-ethanol. PolySac3DB is an annotated database that contains the 3D structural information of 157 polysaccharide entries that have been collected from an extensive screening of scientific literature. They have been systematically organized using standard names in the field of carbohydrate research into 18 categories representing polysaccharide families. Structure-related information includes the saccharides making up the repeat unit(s) and their glycosidic linkages, the expanded 3D representation of the repeat unit, unit cell dimensions and space group, helix type, diffraction diagram(s) (when applicable), experimental and/or simulation methods used for structure description, link to the abstract of the publication, reference and the atomic coordinate files for visualization and download. The database is accompanied by a user-friendly graphical user interface (GUI). It features interactive displays of polysaccharide structures and customized search options for beginners and experts, respectively. The site also serves as an information portal for polysaccharide structure determination techniques. The web-interface also references external links where other carbohydrate-related resources are available. PolySac3DB is established to maintain information on the detailed 3D structures of polysaccharides. All the data and features are available via the web-interface utilizing the search engine and can be accessed at http://polysac3db.cermav.cnrs.fr.

Classification of matrix-product ground states corresponding to one-dimensional chains of two-state sites of nearest neighbor interactions

NASA Astrophysics Data System (ADS)

Fatollahi, Amir H.; Khorrami, Mohammad; Shariati, Ahmad; Aghamohammadi, Amir

2011-04-01

A complete classification is given for one-dimensional chains with nearest-neighbor interactions having two states in each site, for which a matrix product ground state exists. The Hamiltonians and their corresponding matrix product ground states are explicitly obtained.

Spin-orbit interaction in Kondo regime of δ-doped LaTiO3/SrTiO3 interface

NASA Astrophysics Data System (ADS)

Das, Shubhankar; Rastogi, A.; Hossain, Z.; Budhani, R. C.

2014-03-01

The formation of a 2-dimensional electron gas (2DEG) at the interface of LaTiO3/SrTiO3 (LTO/STO) has evoked a keen interest in the condensed matter physics community due to the observation of many collective electronic phenomena in the 2DEG. In order to address some puzzling issues related to the mechanism of 2DEG formation at the LTO/STO interface and to identify the dominant scattering process that control the nature of Magnetoresistance (MR) in this system, we have used a novel approach of delta (δ) doping with iso-structural perovskite LaCrO3 at the interface, which dramatically alters the properties of 2DEG. We have observed a reduction in the sheet carrier density with doping thickness, prominence of the resistivity upturn at low temperatures seen in LTO/STO 2DEG, shift of resistivity minimum towards higher temperature, enhancement of weak anti-localization (WAL) below 10K and strong anisotropic magnetoresistance. The observed in-plane MR is attributed to Kondo-type scattering by localized Ti3+ moments which gets normalized by spin-orbit interaction at T < 10K. With increasing the Cr3+ ions concentration at the interface, WAL effect becomes more prominent below 10K.

Interaction of strong converging shock wave with SF6 gas bubble

NASA Astrophysics Data System (ADS)

Liang, Yu; Zhai, ZhiGang; Luo, XiSheng

2018-06-01

Interaction of a strong converging shock wave with an SF6 gas bubble is studied, focusing on the effects of shock intensity and shock shape on interface evolution. Experimentally, the converging shock wave is generated by shock dynamics theory and the gas bubble is created by soap film technique. The post-shock flow field is captured by a schlieren photography combined with a high-speed video camera. Besides, a three-dimensional program is adopted to provide more details of flow field. After the strong converging shock wave impact, a wide and pronged outward jet, which differs from that in planar shock or weak converging shock condition, is derived from the downstream interface pole. This specific phenomenon is considered to be closely associated with shock intensity and shock curvature. Disturbed by the gas bubble, the converging shocks approaching the convergence center have polygonal shapes, and the relationship between shock intensity and shock radius verifies the applicability of polygonal converging shock theory. Subsequently, the motion of upstream point is discussed, and a modified nonlinear theory considering rarefaction wave and high amplitude effects is proposed. In addition, the effects of shock shape on interface morphology and interface scales are elucidated. These results indicate that the shape as well as shock strength plays an important role in interface evolution.

Open source Matrix Product States: Opening ways to simulate entangled many-body quantum systems in one dimension

NASA Astrophysics Data System (ADS)

Jaschke, Daniel; Wall, Michael L.; Carr, Lincoln D.

2018-04-01

Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States (MPSs), have attracted interest from different fields of quantum physics ranging from solid state systems to quantum simulators and quantum computing. Our open source MPS code provides the community with a toolset to analyze the statics and dynamics of one-dimensional quantum systems. Here, we present our open source library, Open Source Matrix Product States (OSMPS), of MPS methods implemented in Python and Fortran2003. The library includes tools for ground state calculation and excited states via the variational ansatz. We also support ground states for infinite systems with translational invariance. Dynamics are simulated with different algorithms, including three algorithms with support for long-range interactions. Convenient features include built-in support for fermionic systems and number conservation with rotational U(1) and discrete Z2 symmetries for finite systems, as well as data parallelism with MPI. We explain the principles and techniques used in this library along with examples of how to efficiently use the general interfaces to analyze the Ising and Bose-Hubbard models. This description includes the preparation of simulations as well as dispatching and post-processing of them.

Study of intermolecular contacts in proteins and oligomer interfaces and preliminary investigations into the design and production of nanomaterials from proteins

NASA Astrophysics Data System (ADS)

Iyer, Ganesh Hariharan

The first part of this research involved a study of the nature and extent of nonbonded interactions at crystal and oligomer interfaces. A survey was compiled of several characteristics of intersubunit contacts in 58 different oligomeric proteins, and of the intermolecular contacts in 223 protein crystal structures. Routines written in "S" language were utilized for the generation of the observed and expected contacts. The information in the Protein Data Bank (PDB) was extracted using the database management system, Protein Knowledge Base (PKB). Potentials of mean force for atom-atom contacts and residue-residue contacts were derived by comparison of the number of observed interactions with the number expected by mass action. Preference association matrices and log-linear analyses were applied to determine the different factors that could contribute to the overall interactions at the interfaces of oligomers and crystals. Surface patches at oligomer and crystal interfaces were also studied to further investigate the origin of the differences in their stabilities. Total number of atoms in contact and the secondary structure elements involved are similar in the two types of interfaces. Crystal contacts result from more numerous interactions by polar residues, compared with a tendency toward nonpolar amino acid prominent in oligomer interfaces. Contact potentials indicate that hydrophobic interactions at oligomer interfaces favor aromatic amino acids and methionine over aliphatic amino acids; and that crystal contacts form in such a way as to avoid inclusion of hydrophobic interactions. The second part involved the development of a new class of biomaterials from two-dimensional arrays of ordered proteins. Point mutations were planned to introduce cysteine residues at appropriate locations to enable cross-linking at the molecular interface within given crystallographic planes. Crystallization and subsequent cross-linking of the modified protein would lead to the formation of arrays on subsequent dissociation of the crystal. Novel protein architectures can be generated from these cross-linked nanostructures. Experiments with model protein, maltose-binding protein (MBP) were performed to develop purification, cross-linking and crystallization techniques. The long-term goal of this project is to apply the experience gained with MBP to the fabrication of nanomaterials from other, application-specific proteins for ultrafiltration and microelectronic devices.

On some structure-turbulence interaction problems

NASA Technical Reports Server (NTRS)

Maekawa, S.; Lin, Y. K.

1976-01-01

The interactions between a turbulent flow structure; responding to its excitation were studied. The turbulence was typical of those associated with a boundary layer, having a cross-spectral density indicative of convection and statistical decay. A number of structural models were considered. Among the one-dimensional models were an unsupported infinite beam and a periodically supported infinite beam. The fuselage construction of an aircraft was then considered. For the two-dimensional case a simple membrane was used to illustrate the type of formulation applicable to most two-dimensional structures. Both the one-dimensional and two-dimensional structures studied were backed by a cavity filled with an initially quiescent fluid to simulate the acoustic environment when the structure forms one side of a cabin of a sea vessel or aircraft.

Structural zooming research and development of an interactive computer graphical interface for stress analysis of cracks

NASA Technical Reports Server (NTRS)

Gerstle, Walter

1989-01-01

Engineering problems sometimes involve the numerical solution of boundary value problems over domains containing geometric feature with widely varying scales. Often, a detailed solution is required at one or more of these features. Small details in large structures may have profound effects upon global performance. Conversely, large-scale conditions may effect local performance. Many man-hours and CPU-hours are currently spent in modeling such problems. With the structural zooming technique, it is now possible to design an integrated program which allows the analyst to interactively focus upon a small region of interest, to modify the local geometry, and then to obtain highly accurate responses in that region which reflect both the properties of the overall structure and the local detail. A boundary integral equation analysis program, called BOAST, was recently developed for the stress analysis of cracks. This program can accurately analyze two-dimensional linear elastic fracture mechanics problems with far less computational effort than existing finite element codes. An interactive computer graphical interface to BOAST was written. The graphical interface would have several requirements: it would be menu-driven, with mouse input; all aspects of input would be entered graphically; the results of a BOAST analysis would be displayed pictorially but also the user would be able to probe interactively to get numerical values of displacement and stress at desired locations within the analysis domain; the entire procedure would be integrated into a single, easy to use package; and it would be written using calls to the graphic package called HOOPS. The program is nearing completion. All of the preprocessing features are working satisfactorily and were debugged. The postprocessing features are under development, and rudimentary postprocessing should be available by the end of the summer. The program was developed and run on a VAX workstation, and must be ported to the SUN workstation. This activity is currently underway.

Numerical simulations of the process of multiple shock-flame interactions

NASA Astrophysics Data System (ADS)

Jiang, Hua; Dong, Gang; chen, Xiao; Wu, Jin-Tao

2016-08-01

Based on a weighted essentially nonoscillatory scheme, the multiple interactions of a flame interface with an incident shock wave and its reshock waves are numerically simulated by solving the compressible reactive Navier-Stokes equations with a single-step Arrhenius chemical reaction. The two-dimensional sinusoidally perturbed premixed flames with different initial perturbed amplitudes are used to investigate the effect of the initial perturbation on the flame evolutions. The results show that the development of the flame interface is directly affected by the initial perturbed amplitudes before the passages of reshock waves, and the perturbation development is mainly controlled by the Richtmyer-Meshkov instability (RMI). After the successive impacts of multiple reshock waves, the chemical reaction accelerates the consumption of reactants and leads to a gradual disappearance of the initial perturbed information. The perturbation developments in frozen flows with the same initial interface as those in reactive flows are also demonstrated. Comparisons of results between the reactive and frozen flows show that a chemical reaction changes the perturbation pattern of the flame interface by decreasing the density gradient, thereby weakening the baroclinic torque in the flame mixing region, and therefore plays a dominant role after the passage of reshock waves.

Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations.

PubMed

Yokota, Yasuyuki; Miyamoto, Hiroo; Imanishi, Akihito; Takeya, Jun; Inagaki, Kouji; Morikawa, Yoshitada; Fukui, Ken-Ichi

2018-05-09

Electric double-layer transistors based on ionic liquid/organic semiconductor interfaces have been extensively studied during the past decade because of their high carrier densities at low operation voltages. Microscopic structures and the dynamics of ionic liquids likely determine the device performance; however, knowledge of these is limited by a lack of appropriate experimental tools. In this study, we investigated ionic liquid/organic semiconductor interfaces using molecular dynamics to reveal the microscopic properties of ionic liquids. The organic semiconductors include pentacene, rubrene, fullerene, and 7,7,8,8-tetracyanoquinodimethane (TCNQ). While ionic liquids close to the substrate always form the specific layered structures, the surface properties of organic semiconductors drastically alter the ionic dynamics. Ionic liquids at the fullerene interface behave as a two-dimensional ionic crystal because of the energy gain derived from the favorable electrostatic interaction on the corrugated periodic substrate.

Thermal analysis of a growing crystal in an aqueous solution

NASA Astrophysics Data System (ADS)

Shiomi, Yuji; Kuroda, Toshio; Ogawa, Tomoya

1980-10-01

The temperature profiles around growing crystals in aqueous solutions of Rochelle salt were measured with accuracy of 0.005°C in a two-dimensional cell which was used for elimination of thermal convection current in the cell. The temperature distribution became stationary after 2 h from injection of the mother liquid, but the concentration distribution did not become stationary because the diffusion constant of solute in the solution was much smaller than the thermal diffusivity of the solution. The growth rate was linearly proportional to the temperature gradient at every growing interface. Since crystal growth is a typical interaction process between thermal and material flow, the experimental results were analysed by such an interaction model. The analysis confirms that the material flow is limited by diffusion within a layer width of about a few hundreds micrometers on the growing interface.

Dusty plasma (Yukawa) rings

NASA Astrophysics Data System (ADS)

Sheridan, T. E.; Gallagher, James C.

2016-11-01

One-dimensional and quasi-one-dimensional strongly coupled dusty plasma rings have been created experimentally. Longitudinal (acoustic) and transverse (optical) dispersion relations for the one-ring are measured and found to be in excellent agreement with the theory for an unbounded straight chain of particles interacting through a Yukawa (i.e., screened Coulomb or Debye-Hückel) potential. These rings provide a new experimental system to directly study one-dimensional and quasi-one-dimensional linear and nonlinear phenomena.

Semi-Analytic Reconstruction of Flux in Finite Volume Formulations

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2006-01-01

Semi-analytic reconstruction uses the analytic solution to a second-order, steady, ordinary differential equation (ODE) to simultaneously evaluate the convective and diffusive flux at all interfaces of a finite volume formulation. The second-order ODE is itself a linearized approximation to the governing first- and second- order partial differential equation conservation laws. Thus, semi-analytic reconstruction defines a family of formulations for finite volume interface fluxes using analytic solutions to approximating equations. Limiters are not applied in a conventional sense; rather, diffusivity is adjusted in the vicinity of changes in sign of eigenvalues in order to achieve a sufficiently small cell Reynolds number in the analytic formulation across critical points. Several approaches for application of semi-analytic reconstruction for the solution of one-dimensional scalar equations are introduced. Results are compared with exact analytic solutions to Burger s Equation as well as a conventional, upwind discretization using Roe s method. One approach, the end-point wave speed (EPWS) approximation, is further developed for more complex applications. One-dimensional vector equations are tested on a quasi one-dimensional nozzle application. The EPWS algorithm has a more compact difference stencil than Roe s algorithm but reconstruction time is approximately a factor of four larger than for Roe. Though both are second-order accurate schemes, Roe s method approaches a grid converged solution with fewer grid points. Reconstruction of flux in the context of multi-dimensional, vector conservation laws including effects of thermochemical nonequilibrium in the Navier-Stokes equations is developed.

Man-machine interfaces in LACIE/ERIPS

NASA Technical Reports Server (NTRS)

Duprey, B. B. (Principal Investigator)

1979-01-01

One of the most important aspects of the interactive portion of the LACIE/ERIPS software system is the way in which the analysis and decision-making capabilities of a human being are integrated with the speed and accuracy of a computer to produce a powerful analysis system. The three major man-machine interfaces in the system are (1) the use of menus for communications between the software and the interactive user; (2) the checkpoint/restart facility to recreate in one job the internal environment achieved in an earlier one; and (3) the error recovery capability which would normally cause job termination. This interactive system, which executes on an IBM 360/75 mainframe, was adapted for use in noninteractive (batch) mode. A case study is presented to show how the interfaces work in practice by defining some fields based on an image screen display, noting the field definitions, and obtaining a film product of the classification map.

An Examination of the Evolution of Radiation and Advection Fogs

DTIC Science & Technology

1993-01-01

and fog diagnostic and prediction models have developed in sophistication so that they can reproduce fairly accurate one- or two-dimensional...occurred only by molecular diffusion near the interface created between the species during the mixing process. The rate of homogenization is minimal until...of excess vapor by molecular diffusion at the interfaces of nearly saturated air mixing in eddies is faster than the relaxation time of droplet

A novel artificial condensed matter lattice and a new platform for one-dimensional topological phases

DOE PAGES

Belopolski, Ilya; Xu, Su -Yang; Koirala, Nikesh; ...

2017-03-24

Engineered lattices in condensed matter physics, such as cold-atom optical lattices or photonic crystals, can have properties that are fundamentally different from those of naturally occurring electronic crystals. We report a novel type of artificial quantum matter lattice. Our lattice is a multilayer heterostructure built from alternating thin films of topological and trivial insulators. Each interface within the heterostructure hosts a set of topologically protected interface states, and by making the layers sufficiently thin, we demonstrate for the first time a hybridization of interface states across layers. In this way, our heterostructure forms an emergent atomic chain, where the interfacesmore » act as lattice sites and the interface states act as atomic orbitals, as seen from our measurements by angle-resolved photoemission spectroscopy. By changing the composition of the heterostructure, we can directly control hopping between lattice sites. We realize a topological and a trivial phase in our superlattice band structure. We argue that the superlattice may be characterized in a significant way by a one-dimensional topological invariant, closely related to the invariant of the Su-Schrieffer-Heeger model. Our topological insulator heterostructure demonstrates a novel experimental platform where we can engineer band structures by directly controlling how electrons hop between lattice sites.« less

A novel artificial condensed matter lattice and a new platform for one-dimensional topological phases

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

Belopolski, Ilya; Xu, Su -Yang; Koirala, Nikesh

Engineered lattices in condensed matter physics, such as cold-atom optical lattices or photonic crystals, can have properties that are fundamentally different from those of naturally occurring electronic crystals. We report a novel type of artificial quantum matter lattice. Our lattice is a multilayer heterostructure built from alternating thin films of topological and trivial insulators. Each interface within the heterostructure hosts a set of topologically protected interface states, and by making the layers sufficiently thin, we demonstrate for the first time a hybridization of interface states across layers. In this way, our heterostructure forms an emergent atomic chain, where the interfacesmore » act as lattice sites and the interface states act as atomic orbitals, as seen from our measurements by angle-resolved photoemission spectroscopy. By changing the composition of the heterostructure, we can directly control hopping between lattice sites. We realize a topological and a trivial phase in our superlattice band structure. We argue that the superlattice may be characterized in a significant way by a one-dimensional topological invariant, closely related to the invariant of the Su-Schrieffer-Heeger model. Our topological insulator heterostructure demonstrates a novel experimental platform where we can engineer band structures by directly controlling how electrons hop between lattice sites.« less

The modular architecture of protein-protein binding interfaces.

PubMed

Reichmann, D; Rahat, O; Albeck, S; Meged, R; Dym, O; Schreiber, G

2005-01-04

Protein-protein interactions are essential for life. Yet, our understanding of the general principles governing binding is not complete. In the present study, we show that the interface between proteins is built in a modular fashion; each module is comprised of a number of closely interacting residues, with few interactions between the modules. The boundaries between modules are defined by clustering the contact map of the interface. We show that mutations in one module do not affect residues located in a neighboring module. As a result, the structural and energetic consequences of the deletion of entire modules are surprisingly small. To the contrary, within their module, mutations cause complex energetic and structural consequences. Experimentally, this phenomenon is shown on the interaction between TEM1-beta-lactamase and beta-lactamase inhibitor protein (BLIP) by using multiple-mutant analysis and x-ray crystallography. Replacing an entire module of five interface residues with Ala created a large cavity in the interface, with no effect on the detailed structure of the remaining interface. The modular architecture of binding sites, which resembles human engineering design, greatly simplifies the design of new protein interactions and provides a feasible view of how these interactions evolved.

Design of a graphical and interactive interface for facilitating access to drug contraindications, cautions for use, interactions and adverse effects

PubMed Central

Lamy, Jean-Baptiste; Venot, Alain; Bar-Hen, Avner; Ouvrard, Patrick; Duclos, Catherine

2008-01-01

Background Drug iatrogeny is important but could be decreased if contraindications, cautions for use, drug interactions and adverse effects of drugs described in drug monographs were taken into account. However, the physician's time is limited during consultations, and this information is often not consulted. We describe here the design of "Mister VCM", a graphical interface based on the VCM graphical language, facilitating access to drug monographs. We also provide an assessment of the usability of this interface. Methods The "Mister VCM" interface was designed by dividing the screen into two parts: a graphical interactive one including VCM icons and synthetizing drug properties, a textual one presenting on demand drug monograph excerpts. The interface was evaluated over 11 volunteer general practitioners, trained in the use of "Mister VCM". They were asked to answer clinical questions related to fictitious randomly generated drug monographs, using a textual interface or "Mister VCM". When answering the questions, correctness of the responses and response time were recorded. Results "Mister VCM" is an interactive interface that displays VCM icons organized around an anatomical diagram of the human body with additional mental, etiological and physiological areas. Textual excerpts of the drug monograph can be displayed by clicking on the VCM icons. The interface can explicitly represent information implicit in the drug monograph, such as the absence of a given contraindication. Physicians made fewer errors with "Mister VCM" than with text (factor of 1.7; p = 0.034) and responded to questions 2.2 times faster (p < 0.001). The time gain with "Mister VCM" was greater for long monographs and questions with implicit replies. Conclusion "Mister VCM" seems to be a promising interface for accessing drug monographs. Similar interfaces could be developed for other medical domains, such as electronic patient records. PMID:18518945

Direct measurement of proximity-induced magnetism at the interface between a topological insulator and a ferromagnet

DOE PAGES

Lee, Changmin; Katmis, Ferhat; Jarillo-Herrero, Pablo; ...

2016-06-27

When a topological insulator (TI) is in contact with a ferromagnet, both time-reversal and inversion symmetries are broken at the interface. An energy gap is formed at the TI surface, and its electrons gain a net magnetic moment through short-range exchange interactions. Magnetic TIs can host various exotic quantum phenomena, such as massive Dirac fermions, Majorana fermions, the quantum anomalous Hall effect and chiral edge currents along the domain boundaries. However, selective measurement of induced magnetism at the buried interface has remained a challenge. Using magnetic second-harmonic generation, we directly probe both the in-plane and out-of-plane magnetizations induced at themore » interface between the ferromagnetic insulator (FMI) EuS and the three-dimensional TI Bi 2Se 3. Furthermore, our findings not only allow characterizing magnetism at the TI–FMI interface but also lay the groundwork for imaging magnetic domains and domain boundaries at the magnetic TI surfaces.« less

Symmetrical or Non-Symmetrical Debonds at Fiber-Matrix Interfaces: A Study by BEM and Finite Fracture Mechanics on Elastic Interfaces

NASA Astrophysics Data System (ADS)

Muñoz-Reja, Mar; Távara, Luis; Mantič, Vladislav

A recently proposed criterion is used to study the behavior of debonds produced at a fiber-matrix interface. The criterion is based on the Linear Elastic-(Perfectly) Brittle Interface Model (LEBIM) combined with a Finite Fracture Mechanics (FFM) approach, where the stress and energy criteria are suitably coupled. Special attention is given to the discussion about the symmetry of the debond onset and growth in an isolated single fiber specimen under uniaxial transverse tension. A common composite material system, glass fiber-epoxy matrix, is considered. The present methodology uses a two-dimensional (2D) Boundary Element Method (BEM) code to carry out the analysis of interface failure. The present results show that a non-symmetrical interface crack configuration (debonds at one side only) is produced by a lower critical remote load than the symmetrical case (debonds at both sides). Thus, the non-symmetrical solution is the preferred one, which agrees with the experimental evidences found in the literature.

Phonon interference control of atomic-scale metamirrors, meta-absorbers, and heat transfer through crystal interfaces

NASA Astrophysics Data System (ADS)

Kosevich, Yu. A.; Potyomina, L. G.; Darinskii, A. N.; Strelnikov, I. A.

2018-03-01

The paper theoretically studies the possibility of using the effects of phonon interference between paths through different interatomic bonds for the control of phonon heat transfer through internal crystal interfaces and for the design of phonon metamirrors and meta-absorbers. These metamirrors and meta-absorbers are considered to be defect nanolayers of atomic-scale thicknesses embedded in a crystal. Several analytically solvable three-dimensional lattice-dynamics models of the phonon metamirrors and meta-absorbers at the internal crystal planes are described. It is shown that due to destructive interference in the two or more phonon paths, the internal crystal planes, fully or partially filled with weakly bound or heavy-isotope defect atoms, can completely reflect or completely absorb phonons at the transmission antiresonances, whose wavelengths are larger than the effective thickness of the metamirror or meta-absorber. Due to cooperative superradiant effect, the spectral widths of the two-path interference antiresonances for the plane waves are given by the square of partial filling fraction in the defect crystal plane. Our analysis reveals that the presence of two or more phonon paths plays the dominant role in the emergence of the transmission antiresonances in phonon scattering at the defect crystal planes and in reduction of the thermal interface conductance in comparison with the Fano-resonance concept. We study analytically phonon transmission through internal crystal plane in a model cubic lattice of Si-like atoms, partially filled with Ge-like defect atoms. Such a plane can serve as interference phonon metamirror with the transmission antiresonances in the vicinities of eigenmode frequencies of Ge-like defect atoms in the terahertz frequency range. We predict the extraordinary phonon transmission induced by the two-path constructive interference of the lattice waves in resonance with the vibrations of rare host atoms, periodically distributed in the crystal plane almost completely filled with heavy-isotope defects. We show that the phonon-interference-induced transparency can be produced by the defect nanolayer with the non-nearest-neighbor interactions, filled with two types of isotopes with relatively small difference in masses or binding force constants. In this case, relatively broad transmission antiresonance is accompanied by the narrow transmission peak close to the antiresonance frequency. We describe the softening of the flexural surface acoustic wave, localized at the embedded defect nanolayer, caused by negative surface stress in the layer. The surface wave softening results in spatially periodic static bending deformation of the embedded nanolayer with the definite wave number. The latter effect is estimated for graphene monolayer embedded in a strained matrix of polyethylene. We analyze the effect of nonlinearity in the dynamics of defect atoms on the one- and two-path phonon interference and show that the interference transmission resonances and antiresonances are shifted in frequencies but not completely suppressed by rather strong anharmonicity of interatomic bonds. The reduction of the Kapitza thermal interface conductance caused by the destructive phonon interference in a defect monolayer is described. We show that the additional relatively weak non-nearest-neighbor interactions through the defect crystal plane filled with heavy isotopes substantially reduces the interface thermal conductance, and this effect is stronger in the three-dimensional system than in the quasi-one-dimensional systems studied previously.

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

NASA Astrophysics Data System (ADS)

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

2018-04-01

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three-dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb2 Pt2 Pb , a metal where itinerant electrons coexist with localized moments of Yb ions which can be described in terms of effective S =1 /2 spins with a dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the two interacting subsystems. We characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasilinear temperature dependence.

Spectral enstrophy budget in a shear-less flow with turbulent/non-turbulent interface

NASA Astrophysics Data System (ADS)

Cimarelli, Andrea; Cocconi, Giacomo; Frohnapfel, Bettina; De Angelis, Elisabetta

2015-12-01

A numerical analysis of the interaction between decaying shear free turbulence and quiescent fluid is performed by means of global statistical budgets of enstrophy, both, at the single-point and two point levels. The single-point enstrophy budget allows us to recognize three physically relevant layers: a bulk turbulent region, an inhomogeneous turbulent layer, and an interfacial layer. Within these layers, enstrophy is produced, transferred, and finally destroyed while leading to a propagation of the turbulent front. These processes do not only depend on the position in the flow field but are also strongly scale dependent. In order to tackle this multi-dimensional behaviour of enstrophy in the space of scales and in physical space, we analyse the spectral enstrophy budget equation. The picture consists of an inviscid spatial cascade of enstrophy from large to small scales parallel to the interface moving towards the interface. At the interface, this phenomenon breaks, leaving place to an anisotropic cascade where large scale structures exhibit only a cascade process normal to the interface thus reducing their thickness while retaining their lengths parallel to the interface. The observed behaviour could be relevant for both the theoretical and the modelling approaches to flow with interacting turbulent/nonturbulent regions. The scale properties of the turbulent propagation mechanisms highlight that the inviscid turbulent transport is a large-scale phenomenon. On the contrary, the viscous diffusion, commonly associated with small scale mechanisms, highlights a much richer physics involving small lengths, normal to the interface, but at the same time large scales, parallel to the interface.

Hexagonal boron nitride cover on Pt(111): a new route to tune molecule-metal interaction and metal-catalyzed reactions.

PubMed

Zhang, Yanhong; Weng, Xuefei; Li, Huan; Li, Haobo; Wei, Mingming; Xiao, Jianping; Liu, Zhi; Chen, Mingshu; Fu, Qiang; Bao, Xinhe

2015-05-13

In heterogeneous catalysis molecule-metal interaction is often modulated through structural modifications at the surface or under the surface of the metal catalyst. Here, we suggest an alternative way toward this modulation by placing a two-dimensional (2D) cover on the metal surface. As an illustration, CO adsorption on Pt(111) surface has been studied under 2D hexagonal boron nitride (h-BN) overlayer. Dynamic imaging data from surface electron microscopy and in situ surface spectroscopic results under near ambient pressure conditions confirm that CO molecules readily intercalate monolayer h-BN sheets on Pt(111) in CO atmosphere but desorb from the h-BN/Pt(111) interface even around room temperature in ultrahigh vacuum. The interaction of CO with Pt has been strongly weakened due to the confinement effect of the h-BN cover, and consequently, CO oxidation at the h-BN/Pt(111) interface was enhanced thanks to the alleviated CO poisoning effect.

Amplitude-dependent topological edge states in nonlinear phononic lattices

NASA Astrophysics Data System (ADS)

Pal, Raj Kumar; Vila, Javier; Leamy, Michael; Ruzzene, Massimo

2018-03-01

This work investigates the effect of nonlinearities on topologically protected edge states in one- and two-dimensional phononic lattices. We first show that localized modes arise at the interface between two spring-mass chains that are inverted copies of each other. Explicit expressions derived for the frequencies of the localized modes guide the study of the effect of cubic nonlinearities on the resonant characteristics of the interface, which are shown to be described by a Duffing-like equation. Nonlinearities produce amplitude-dependent frequency shifts, which in the case of a softening nonlinearity cause the localized mode to migrate to the bulk spectrum. The case of a hexagonal lattice implementing a phononic analog of a crystal exhibiting the quantum spin Hall effect is also investigated in the presence of weakly nonlinear cubic springs. An asymptotic analysis provides estimates of the amplitude dependence of the localized modes, while numerical simulations illustrate how the lattice response transitions from bulk-to-edge mode-dominated by varying the excitation amplitude. In contrast with the interface mode of the first example studies, this occurs both for hardening and softening springs. The results of this study provide a theoretical framework for the investigation of nonlinear effects that induce and control topologically protected wave modes through nonlinear interactions and amplitude tuning.

Constitutive Modeling of Nanotube-Reinforced Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Gates, T. S.; Wise, K. E.

2002-01-01

In this study, a technique is presented for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Because the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties can no longer be determined through traditional micromechanical approaches that are formulated by using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube shapes, sizes, concentrations, and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/LaRC-SI (with a PmPV interface) composite systems, one with aligned SWNTs and the other with three-dimensionally randomly oriented SWNTs. The Young's modulus and shear modulus have been calculated for the two systems for various nanotube lengths and volume fractions.

Complete wetting near an edge of a rectangular-shaped substrate

NASA Astrophysics Data System (ADS)

Malijevský, Alexandr

2014-08-01

We consider fluid adsorption near a rectangular edge of a solid substrate that interacts with the fluid atoms via long range (dispersion) forces. The curved geometry of the liquid-vapour interface dictates that the local height of the interface above the edge ℓE must remain finite at any subcritical temperature, even when a macroscopically thick film is formed far from the edge. Using an interfacial Hamiltonian theory and a more microscopic fundamental measure density functional theory (DFT), we study the complete wetting near a single edge and show that {{\\ell}_{\\text{E}}}\\left(0\\right)-{{\\ell}_{\\text{E}}}\\left(\\delta \\mu \\right)\\sim \\delta {{\\mu}^{\\beta _{\\text{E}}^{\\text{co}}}} , as the chemical potential departure from the bulk coexistence δμ = μs(T) - μ tends to zero. The exponent \\beta _{\\text{E}}^{\\text{co}} depends on the range of the molecular forces and in particular \\beta _{\\text{E}}^{\\text{co}}=2/3 for three-dimensional systems with van der Waals forces. We further show that for a substrate model that is characterised by a finite linear dimension L, the height of the interface deviates from the one at the infinite substrate as δℓE(L) ˜ L-1 in the limit of large L. Both predictions are supported by numerical solutions of the DFT.

Grid generation about complex three-dimensional aircraft configurations

NASA Technical Reports Server (NTRS)

Klopfer, Goetz H.

1991-01-01

The problem of obtaining three dimensional grids with sufficient resolution to resolve all the flow or other physical features of interest is addressed. The generation of a computational grid involves a series of compromises to resolve several conflicting requirements. On one hand, one would like the grid to be fine enough and not too skewed to reduce the numerical errors and to adequately resolve the pertinent physical features of the flow field about the aircraft. On the other hand, the capabilities of present or even future supercomputers are finite and the number of mesh points must be limited to a reasonable number: one which is usually much less than desired for numerical accuracy. One technique to overcome this limitation is the 'zonal' grid approach. In this method, the overall field is subdivided into smaller zones or blocks in each of which an independent grid is generated with enough grid density to resolve the flow features in that zone. The zonal boundaries or interfaces require special boundary conditions such that the conservation properties of the governing equations are observed. Much work was done in 3-D zonal approaches with nonconservative zonal interfaces. A 3-D zonal conservative interfacing method that is efficient and easy to implement was developed during the past year. During the course of the work, it became apparent that it would be much more feasible to do the conservative interfacing with cell-centered finite volume codes instead of the originally planned finite difference codes. Accordingly, the CNS code was converted to finite volume form. This new version of the code is named CNSFV. The original multi-zonal interfacing capability of the CNS code was enhanced by generalizing the procedure to allow for completely arbitrarily shaped zones with no mesh continuity between the zones. While this zoning capability works well for most flow situations, it is, however, still nonconservative. The conservative interface algorithm was also implemented but was not completely validated.

Language evolution and human-computer interaction

NASA Technical Reports Server (NTRS)

Grudin, Jonathan; Norman, Donald A.

1991-01-01

Many of the issues that confront designers of interactive computer systems also appear in natural language evolution. Natural languages and human-computer interfaces share as their primary mission the support of extended 'dialogues' between responsive entities. Because in each case one participant is a human being, some of the pressures operating on natural languages, causing them to evolve in order to better support such dialogue, also operate on human-computer 'languages' or interfaces. This does not necessarily push interfaces in the direction of natural language - since one entity in this dialogue is not a human, this is not to be expected. Nonetheless, by discerning where the pressures that guide natural language evolution also appear in human-computer interaction, we can contribute to the design of computer systems and obtain a new perspective on natural languages.

Mathematical model for cell competition: Predator-prey interactions at the interface between two groups of cells in monolayer tissue.

PubMed

Nishikawa, Seiya; Takamatsu, Atsuko; Ohsawa, Shizue; Igaki, Tatsushi

2016-09-07

The phenomenon of 'cell competition' has been implicated in the normal development and maintenance of organs, such as in the regulation of organ size and suppression of neoplastic development. In cell competition, one group of cells competes with another group through an interaction at their interface. Which cell group "wins" is governed by a certain relative fitness within the cells. However, this idea of cellular fitness has not been clearly defined. We construct two types of mathematical models to describe this phenomenon of cell competition by considering the interaction at the interface as a predator-prey type interaction in a monolayer tissue such as epithelium. Both of these models can reproduce several typical experimental observations involving systems of mutant cells (losers) and normal cells (winners). By analyzing one of the model and defining an index for the degree of fitness in groups of cells, we show that the fate of each group mainly depends on the relative carrying capacities of certain resources and the strength of the predator-prey interaction at the interface. This contradicts the classical hypothesis in which the relative proliferation rate determines the winner. Copyright © 2016 Elsevier Ltd. All rights reserved.

Inter-Wire Antiferromagnetic Exchange Interaction in Ni/Si-Ferromagnetic/Semiconductor Nanocomposites

NASA Astrophysics Data System (ADS)

Granitzer, P.; Rumpf, K.; Hofmayer, M.; Krenn, H.; Pölt, P.; Reichmann, A.; Hofer, F.

2007-04-01

A matrix of mesoporous silicon offering an array of quasi 1-dimensional oriented pores of high aspect ratio perpendicular to the sample surface has been produced. This porous silicon (PS) skeleton is filled with Ni in a further process-step to achieve ferromagnetic metallic nanostructures within the channels. This produced silicon based nanocomposite is compatible with state-of-the-art silicon technology. Beside the vertical magnetic surface anisotropy of this Ni-filled composite the nearly monodisperse distribution of pore diameters and its regular arrangement in a quasi 2-dimensional lattice provides novel magnetic phenomena like a depression of the magnetization curve at magnetic fields beyond 2T, which can be interpreted as a field induced antiferromagnetic exchange interaction between Ni-wires which is strongly influenced by magnetostrictive stresses at the Ni/Si-interface. 2007 American Institute of Physics

A Variational Nodal Approach to 2D/1D Pin Resolved Neutron Transport for Pressurized Water Reactors

DOE PAGES

Zhang, Tengfei; Lewis, E. E.; Smith, M. A.; ...

2017-04-18

A two-dimensional/one-dimensional (2D/1D) variational nodal approach is presented for pressurized water reactor core calculations without fuel-moderator homogenization. A 2D/1D approximation to the within-group neutron transport equation is derived and converted to an even-parity form. The corresponding nodal functional is presented and discretized to obtain response matrix equations. Within the nodes, finite elements in the x-y plane and orthogonal functions in z are used to approximate the spatial flux distribution. On the radial interfaces, orthogonal polynomials are employed; on the axial interfaces, piecewise constants corresponding to the finite elements eliminate the interface homogenization that has been a challenge for method ofmore » characteristics (MOC)-based 2D/1D approximations. The angular discretization utilizes an even-parity integral method within the nodes, and low-order spherical harmonics (P N) on the axial interfaces. The x-y surfaces are treated with high-order P N combined with quasi-reflected interface conditions. Furthermore, the method is applied to the C5G7 benchmark problems and compared to Monte Carlo reference calculations.« less

A computational method for sharp interface advection.

PubMed

Roenby, Johan; Bredmose, Henrik; Jasak, Hrvoje

2016-11-01

We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face-interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM ® extension and is published as open source.

A Variational Nodal Approach to 2D/1D Pin Resolved Neutron Transport for Pressurized Water Reactors

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

Zhang, Tengfei; Lewis, E. E.; Smith, M. A.

A two-dimensional/one-dimensional (2D/1D) variational nodal approach is presented for pressurized water reactor core calculations without fuel-moderator homogenization. A 2D/1D approximation to the within-group neutron transport equation is derived and converted to an even-parity form. The corresponding nodal functional is presented and discretized to obtain response matrix equations. Within the nodes, finite elements in the x-y plane and orthogonal functions in z are used to approximate the spatial flux distribution. On the radial interfaces, orthogonal polynomials are employed; on the axial interfaces, piecewise constants corresponding to the finite elements eliminate the interface homogenization that has been a challenge for method ofmore » characteristics (MOC)-based 2D/1D approximations. The angular discretization utilizes an even-parity integral method within the nodes, and low-order spherical harmonics (P N) on the axial interfaces. The x-y surfaces are treated with high-order P N combined with quasi-reflected interface conditions. Furthermore, the method is applied to the C5G7 benchmark problems and compared to Monte Carlo reference calculations.« less

A Strategy Based on Protein-Protein Interface Motifs May Help in Identifying Drug Off-Targets

PubMed Central

Engin, H. Billur; Keskin, Ozlem; Nussinov, Ruth; Gursoy, Attila

2014-01-01

Networks are increasingly used to study the impact of drugs at the systems level. From the algorithmic standpoint, a drug can ‘attack’ nodes or edges of a protein-protein interaction network. In this work, we propose a new network strategy, “The Interface Attack”, based on protein-protein interfaces. Similar interface architectures can occur between unrelated proteins. Consequently, in principle, a drug that binds to one has a certain probability of binding others. The interface attack strategy simultaneously removes from the network all interactions that consist of similar interface motifs. This strategy is inspired by network pharmacology and allows inferring potential off-targets. We introduce a network model which we call “Protein Interface and Interaction Network (P2IN)”, which is the integration of protein-protein interface structures and protein interaction networks. This interface-based network organization clarifies which protein pairs have structurally similar interfaces, and which proteins may compete to bind the same surface region. We built the P2IN of p53 signaling network and performed network robustness analysis. We show that (1) ‘hitting’ frequent interfaces (a set of edges distributed around the network) might be as destructive as eleminating high degree proteins (hub nodes); (2) frequent interfaces are not always topologically critical elements in the network; and (3) interface attack may reveal functional changes in the system better than attack of single proteins. In the off-target detection case study, we found that drugs blocking the interface between CDK6 and CDKN2D may also affect the interaction between CDK4 and CDKN2D. PMID:22817115

A smoothed two- and three-dimensional interface reconstruction method

DOE PAGES

Mosso, Stewart; Garasi, Christopher; Drake, Richard

2008-04-22

The Patterned Interface Reconstruction algorithm reduces the discontinuity between material interfaces in neighboring computational elements. This smoothing improves the accuracy of the reconstruction for smooth bodies. The method can be used in two- and three-dimensional Cartesian and unstructured meshes. Planar interfaces will be returned for planar volume fraction distributions. Finally, the algorithm is second-order accurate for smooth volume fraction distributions.

Resonance interaction energy between two entangled atoms in a photonic bandgap environment.

PubMed

Notararigo, Valentina; Passante, Roberto; Rizzuto, Lucia

2018-03-26

We consider the resonance interaction energy between two identical entangled atoms, where one is in the excited state and the other in the ground state. They interact with the quantum electromagnetic field in the vacuum state and are placed in a photonic-bandgap environment with a dispersion relation quadratic near the gap edge and linear for low frequencies, while the atomic transition frequency is assumed to be inside the photonic gap and near its lower edge. This problem is strictly related to the coherent resonant energy transfer between atoms in external environments. The analysis involves both an isotropic three-dimensional model and the one-dimensional case. The resonance interaction asymptotically decays faster with distance compared to the free-space case, specifically as 1/r 2 compared to the 1/r free-space dependence in the three-dimensional case, and as 1/r compared to the oscillatory dependence in free space for the one-dimensional case. Nonetheless, the interaction energy remains significant and much stronger than dispersion interactions between atoms. On the other hand, spontaneous emission is strongly suppressed by the environment and the correlated state is thus preserved by the spontaneous-decay decoherence effects. We conclude that our configuration is suitable for observing the elusive quantum resonance interaction between entangled atoms.

Real Space Imaging of Nanoparticle Assembly at Liquid-Liquid Interfaces with Nanoscale Resolution.

PubMed

Costa, Luca; Li-Destri, Giovanni; Thomson, Neil H; Konovalov, Oleg; Pontoni, Diego

2016-09-14

Bottom up self-assembly of functional materials at liquid-liquid interfaces has recently emerged as method to design and produce novel two-dimensional (2D) nanostructured membranes and devices with tailored properties. Liquid-liquid interfaces can be seen as a "factory floor" for nanoparticle (NP) self-assembly, because NPs are driven there by a reduction of interfacial energy. Such 2D assembly can be characterized by reciprocal space techniques, namely X-ray and neutron scattering or reflectivity. These techniques have drawbacks, however, as the structural information is averaged over the finite size of the radiation beam and nonperiodic isolated assemblies in 3D or defects may not be easily detected. Real-space in situ imaging methods are more appropriate in this context, but they often suffer from limited resolution and underperform or fail when applied to challenging liquid-liquid interfaces. Here, we study the surfactant-induced assembly of SiO2 nanoparticle monolayers at a water-oil interface using in situ atomic force microscopy (AFM) achieving nanoscale resolved imaging capabilities. Hitherto, AFM imaging has been restricted to solid-liquid interfaces because applications to liquid interfaces have been hindered by their softness and intrinsic dynamics, requiring accurate sample preparation methods and nonconventional AFM operational schemes. Comparing both AFM and grazing incidence X-ray small angle scattering data, we unambiguously demonstrate correlation between real and reciprocal space structure determination showing that the average interfacial NP density is found to vary with surfactant concentration. Additionally, the interaction between the tip and the interface can be exploited to locally determine the acting interfacial interactions. This work opens up the way to studying complex nanostructure formation and phase behavior in a range of liquid-liquid and complex liquid interfaces.

Emerging magnetism and anomalous Hall effect in iridate–manganite heterostructures

PubMed Central

Nichols, John; Gao, Xiang; Lee, Shinbuhm; Meyer, Tricia L.; Freeland, John W.; Lauter, Valeria; Yi, Di; Liu, Jian; Haskel, Daniel; Petrie, Jonathan R.; Guo, Er-Jia; Herklotz, Andreas; Lee, Dongkyu; Ward, Thomas Z.; Eres, Gyula; Fitzsimmons, Michael R.; Lee, Ho Nyung

2016-01-01

Strong Coulomb repulsion and spin–orbit coupling are known to give rise to exotic physical phenomena in transition metal oxides. Initial attempts to investigate systems, where both of these fundamental interactions are comparably strong, such as 3d and 5d complex oxide superlattices, have revealed properties that only slightly differ from the bulk ones of the constituent materials. Here we observe that the interfacial coupling between the 3d antiferromagnetic insulator SrMnO3 and the 5d paramagnetic metal SrIrO3 is enormously strong, yielding an anomalous Hall response as the result of charge transfer driven interfacial ferromagnetism. These findings show that low dimensional spin–orbit entangled 3d–5d interfaces provide an avenue to uncover technologically relevant physical phenomena unattainable in bulk materials. PMID:27596572

Probing the liquid crystal alignment interface and switching dynamics in a slab waveguide architecture

NASA Astrophysics Data System (ADS)

Gotjen, Henry G.; Kolacz, Jakub; Myers, Jason D.; Frantz, Jesse A.; Bekele, Robel Y.; Naciri, Jawad; Spillmann, Christopher M.

2018-02-01

A non-mechanical refractive laser beam steering device has been developed to provide continuous, two-dimensional steering of infrared beams. The technology implements a dielectric slab waveguide architecture with a liquid crystal (LC) cladding. With voltage control, the birefringence of the LC can be leveraged to tune the effective index of the waveguide under an electrode. With a clever prism electrode design a beam coupled into the waveguide can be deflected continuously in two dimensions as it is coupled out into free space. The optical interaction with LC in this beamsteerer is unique from typical LC applications: only the thin layer of LC (100s of nm) near the alignment interface interacts with the beam's evanescent field. Whereas most LC interactions take place over short path lengths (microns) in the bulk of the material, here we can interrogate the behavior of LC near the alignment interface over long path lengths (centimeters). In this work the beamsteerer is leveraged as a tool to study the behavior of LC near the alignment layer in contrast to the bulk material. We find that scattering is substantially decreased near the alignment interface due to the influence of the surface anchoring energy to suppress thermal fluctuations. By tracking the position of the deflected beam with a high speed camera, we measure response times of the LC near the interface in off-to-on switching ( ms) and on-to-off switching ( 100ms). Combined, this work will provide a path for improved alignment techniques, greater optical throughput, and faster response times in this unique approach to non-mechanical beamsteering.

Viscous Dissipation in One-Dimensional Quantum Liquids

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

Matveev, K. A.; Pustilnik, M.

We develop a theory of viscous dissipation in one-dimensional single-component quantum liquids at low temperatures. Such liquids are characterized by a single viscosity coefficient, the bulk viscosity. We show that for a generic interaction between the constituent particles this viscosity diverges in the zerotemperature limit. In the special case of integrable models, the viscosity is infinite at any temperature, which can be interpreted as a breakdown of the hydrodynamic description. In conclusion, our consideration is applicable to all single-component Galilean- invariant one-dimensional quantum liquids, regardless of the statistics of the constituent particles and the interaction strength.

Viscous Dissipation in One-Dimensional Quantum Liquids

DOE PAGES

Matveev, K. A.; Pustilnik, M.

2017-07-20

We develop a theory of viscous dissipation in one-dimensional single-component quantum liquids at low temperatures. Such liquids are characterized by a single viscosity coefficient, the bulk viscosity. We show that for a generic interaction between the constituent particles this viscosity diverges in the zerotemperature limit. In the special case of integrable models, the viscosity is infinite at any temperature, which can be interpreted as a breakdown of the hydrodynamic description. In conclusion, our consideration is applicable to all single-component Galilean- invariant one-dimensional quantum liquids, regardless of the statistics of the constituent particles and the interaction strength.

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013), 10.1103/PhysRevE.88.013304] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method.

PubMed

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013)] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Nonlinear Dynamics of Non-uniform Current-Vortex Sheets in Magnetohydrodynamic Flows

NASA Astrophysics Data System (ADS)

Matsuoka, C.; Nishihara, K.; Sano, T.

2017-04-01

A theoretical model is proposed to describe fully nonlinear dynamics of interfaces in two-dimensional MHD flows based on an idea of non-uniform current-vortex sheet. Application of vortex sheet model to MHD flows has a crucial difficulty because of non-conservative nature of magnetic tension. However, it is shown that when a magnetic field is initially parallel to an interface, the concept of vortex sheet can be extended to MHD flows (current-vortex sheet). Two-dimensional MHD flows are then described only by a one-dimensional Lagrange parameter on the sheet. It is also shown that bulk magnetic field and velocity can be calculated from their values on the sheet. The model is tested by MHD Richtmyer-Meshkov instability with sinusoidal vortex sheet strength. Two-dimensional ideal MHD simulations show that the nonlinear dynamics of a shocked interface with density stratification agrees fairly well with that for its corresponding potential flow. Numerical solutions of the model reproduce properly the results of the ideal MHD simulations, such as the roll-up of spike, exponential growth of magnetic field, and its saturation and oscillation. Nonlinear evolution of the interface is found to be determined by the Alfvén and Atwood numbers. Some of their dependence on the sheet dynamics and magnetic field amplification are discussed. It is shown by the model that the magnetic field amplification occurs locally associated with the nonlinear dynamics of the current-vortex sheet. We expect that our model can be applicable to a wide variety of MHD shear flows.

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

DOE PAGES

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

2018-04-10

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb 2Pt 2Pb, a metal where itinerant electrons coexist with localized moments of Yb-ions which can be described in terms of effective S = 1/2 spins with dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the twomore » interacting subsystems. Lastly, we characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasi linear temperature dependence.« less

Three-Dimensional Non-Fermi-Liquid Behavior from One-Dimensional Quantum Critical Local Moments

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

Classen, Laura; Zaliznyak, Igor; Tsvelik, Alexei M.

We study the temperature dependence of the electrical resistivity in a system composed of critical spin chains interacting with three dimensional conduction electrons and driven to criticality via an external magnetic field. The relevant experimental system is Yb 2Pt 2Pb, a metal where itinerant electrons coexist with localized moments of Yb-ions which can be described in terms of effective S = 1/2 spins with dominantly one-dimensional exchange interaction. The spin subsystem becomes critical in a relatively weak magnetic field, where it behaves like a Luttinger liquid. We theoretically examine a Kondo lattice with different effective space dimensionalities of the twomore » interacting subsystems. Lastly, we characterize the corresponding non-Fermi liquid behavior due to the spin criticality by calculating the electronic relaxation rate and the dc resistivity and establish its quasi linear temperature dependence.« less

Line tension of a two dimensional gas-liquid interface.

PubMed

Santra, Mantu; Bagchi, Biman

2009-08-28

In two dimensional (2D) gas-liquid systems, the reported simulation values of line tension are known to disagree with the existing theoretical estimates. We find that while the simulation erred in truncating the range of the interaction potential, and as a result grossly underestimated the actual value, the earlier theoretical calculation was also limited by several approximations. When both the simulation and the theory are improved, we find that the estimate of line tension is in better agreement with each other. The small value of surface tension suggests increased influence of noncircular clusters in 2D gas-liquid nucleation, as indeed observed in a recent simulation.

Biological and environmental interactions of emerging two-dimensional nanomaterials

PubMed Central

Wang, Zhongying; Zhu, Wenpeng; Qiu, Yang; Yi, Xin; von dem Bussche, Annette; Kane, Agnes; Gao, Huajian; Koski, Kristie; Hurt, Robert

2016-01-01

Two-dimensional materials have become a major focus in materials chemistry research worldwide with substantial efforts centered on synthesis, property characterization, and technological application. These high-aspect ratio sheet-like solids come in a wide array of chemical compositions, crystal phases, and physical forms, and are anticipated to enable a host of future technologies in areas that include electronics, sensors, coatings, barriers, energy storage and conversion, and biomedicine. A parallel effort has begun to understand the biological and environmental interactions of synthetic nanosheets, both to enable the biomedical developments and to ensure human health and safety for all application fields. This review covers the most recent literature on the biological responses to 2D materials and also draws from older literature on natural lamellar minerals to provide additional insight into the essential chemical behaviors. The article proposes a framework for more systematic investigation of biological behavior in the future, rooted in fundamental materials chemistry and physics. That framework considers three fundamental interaction modes: (i) chemical interactions and phase transformations, (ii) electronic and surface redox interactions, and (iii) physical and mechanical interactions that are unique to near-atomically-thin, high-aspect-ratio solids. Two-dimensional materials are shown to exhibit a wide range of behaviors, which reflect the diversity in their chemical compositions, and many are expected to undergo reactive dissolution processes that will be key to understanding their behaviors and interpreting biological response data. The review concludes with a series of recommendations for high-priority research subtopics at the “bio-nanosheet” interface that we hope will enable safe and successful development of technologies related to two-dimensional nanomaterials. PMID:26923057

Fission and fusion interaction phenomena of mixed lump kink solutions for a generalized (3+1)-dimensional B-type Kadomtsev-Petviashvili equation

NASA Astrophysics Data System (ADS)

Liu, Yaqing; Wen, Xiaoyong

2018-05-01

In this paper, a generalized (3+1)-dimensional B-type Kadomtsev-Petviashvili (gBKP) equation is investigated by using the Hirota’s bilinear method. With the aid of symbolic computation, some new lump, mixed lump kink and periodic lump solutions are derived. Based on the derived solutions, some novel interaction phenomena like the fission and fusion interactions between one lump soliton and one kink soliton, the fission and fusion interactions between one lump soliton and a pair of kink solitons and the interactions between two periodic lump solitons are discussed graphically. Results might be helpful for understanding the propagation of the shallow water wave.

The development of the Canadian Mobile Servicing System Kinematic Simulation Facility

NASA Technical Reports Server (NTRS)

Beyer, G.; Diebold, B.; Brimley, W.; Kleinberg, H.

1989-01-01

Canada will develop a Mobile Servicing System (MSS) as its contribution to the U.S./International Space Station Freedom. Components of the MSS will include a remote manipulator (SSRMS), a Special Purpose Dexterous Manipulator (SPDM), and a mobile base (MRS). In order to support requirements analysis and the evaluation of operational concepts related to the use of the MSS, a graphics based kinematic simulation/human-computer interface facility has been created. The facility consists of the following elements: (1) A two-dimensional graphics editor allowing the rapid development of virtual control stations; (2) Kinematic simulations of the space station remote manipulators (SSRMS and SPDM), and mobile base; and (3) A three-dimensional graphics model of the space station, MSS, orbiter, and payloads. These software elements combined with state of the art computer graphics hardware provide the capability to prototype MSS workstations, evaluate MSS operational capabilities, and investigate the human-computer interface in an interactive simulation environment. The graphics technology involved in the development and use of this facility is described.

Interpreting Black-Box Classifiers Using Instance-Level Visual Explanations

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

Tamagnini, Paolo; Krause, Josua W.; Dasgupta, Aritra

2017-05-14

To realize the full potential of machine learning in diverse real- world domains, it is necessary for model predictions to be readily interpretable and actionable for the human in the loop. Analysts, who are the users but not the developers of machine learning models, often do not trust a model because of the lack of transparency in associating predictions with the underlying data space. To address this problem, we propose Rivelo, a visual analytic interface that enables analysts to understand the causes behind predictions of binary classifiers by interactively exploring a set of instance-level explanations. These explanations are model-agnostic, treatingmore » a model as a black box, and they help analysts in interactively probing the high-dimensional binary data space for detecting features relevant to predictions. We demonstrate the utility of the interface with a case study analyzing a random forest model on the sentiment of Yelp reviews about doctors.« less

Colloidal layers in magnetic fields and under shear flow

NASA Astrophysics Data System (ADS)

Löwen, H.; Messina, R.; Hoffmann, N.; Likos, C. N.; Eisenmann, C.; Keim, P.; Gasser, U.; Maret, G.; Goldberg, R.; Palberg, T.

2005-11-01

The behaviour of colloidal mono- and bilayers in external magnetic fields and under shear is discussed and recent progress is summarized. Superparamagnetic colloidal particles form monolayers when they are confined to a air-water interface in a hanging water droplet. An external magnetic field allows us to tune the strength of the mutual dipole-dipole interaction between the colloids and the anisotropy of the interaction can be controlled by the tilt angle of the magnetic field relative to the surface normal of the air-water interface. For sufficiently large magnetic field strength crystalline monolayers are found. The role of fluctuations in these two-dimensional crystals is discussed. Furthermore, clustering phenomena in binary mixtures of superparamagnetic particles forming fluid monolayers are predicted. Finally, we address sheared colloidal bilayers and find that the orientation of confined colloidal crystals can be tailored by a previously applied shear direction.

Parallel computation of three-dimensional aeroelastic fluid-structure interaction

NASA Astrophysics Data System (ADS)

Sadeghi, Mani

This dissertation presents a numerical method for the parallel computation of aeroelasticity (ParCAE). A flow solver is coupled to a structural solver by use of a fluid-structure interface method. The integration of the three-dimensional unsteady Navier-Stokes equations is performed in the time domain, simultaneously to the integration of a modal three-dimensional structural model. The flow solution is accelerated by using a multigrid method and a parallel multiblock approach. Fluid-structure coupling is achieved by subiteration. A grid-deformation algorithm is developed to interpolate the deformation of the structural boundaries onto the flow grid. The code is formulated to allow application to general, three-dimensional, complex configurations with multiple independent structures. Computational results are presented for various configurations, such as turbomachinery blade rows and aircraft wings. Investigations are performed on vortex-induced vibrations, effects of cascade mistuning on flutter, and cases of nonlinear cascade and wing flutter.

JET2 Viewer: a database of predicted multiple, possibly overlapping, protein-protein interaction sites for PDB structures.

PubMed

Ripoche, Hugues; Laine, Elodie; Ceres, Nicoletta; Carbone, Alessandra

2017-01-04

The database JET2 Viewer, openly accessible at http://www.jet2viewer.upmc.fr/, reports putative protein binding sites for all three-dimensional (3D) structures available in the Protein Data Bank (PDB). This knowledge base was generated by applying the computational method JET 2 at large-scale on more than 20 000 chains. JET 2 strategy yields very precise predictions of interacting surfaces and unravels their evolutionary process and complexity. JET2 Viewer provides an online intelligent display, including interactive 3D visualization of the binding sites mapped onto PDB structures and suitable files recording JET 2 analyses. Predictions were evaluated on more than 15 000 experimentally characterized protein interfaces. This is, to our knowledge, the largest evaluation of a protein binding site prediction method. The overall performance of JET 2 on all interfaces are: Sen = 52.52, PPV = 51.24, Spe = 80.05, Acc = 75.89. The data can be used to foster new strategies for protein-protein interactions modulation and interaction surface redesign. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Two-dimensional superconductivity induced by high-mobility carrier doping in LaTiO3/SrTiO3 hetero-structures

NASA Astrophysics Data System (ADS)

Biscaras, Johan; Hurand, S.; Palma, C.; Lesueur, J.; Bergeal, N.; Leboeuf, D.; Proust, C.; Rastogi, A.; Budhani, R. C.

2013-03-01

Transition metal oxides display a great variety of quantum electronic behaviors where correlations often play an important role. The achievement of high quality epitaxial interfaces involving such materials gives a unique opportunity to engineer artificial materials where new electronic orders take place. It has been shown recently that a two-dimensional electron gas 2DEG could form at the interface of two insulators such as LaAlO3 and SrTiO3, or LaTiO3 (a Mott insulator) and SrTiO3. We show that a superconducting two-dimensional electron gas is formed at the LaTiO3/SrTiO3 interface whose properties can be modulated by field effect using a metallic gate on the back of the substrate. The gas consists of two types of carriers : a majority of low-mobility carriers always present, and a few high-mobility ones that can be injected by electrostatic doping. The calculation of the electrons spatial distribution in the confinement potential shows that the high-mobility electrons responsible for superconductivity set at the edge of the gas whose extension can be tuned by field effect.

A transition in the viscous fingering instability in miscible fluids

NASA Astrophysics Data System (ADS)

Videbaek, Thomas; Nagel, Sidney R.

2017-11-01

The viscous fingering instability in a quasi-two dimensional Hele-Shaw cell is an example of complex structure formation from benign initial conditions. When the invading fluid has the lesser viscosity, the interface between the two fluids is unstable to finger formation. Here, we study the instability between pairs of miscible fluids in a circular cell with fluid injected at its center. As the injection rate is decreased, diffusion will smooth out the discontinuity in the gap-averaged viscosity at the interface between the fluids. At high injection rates (i.e., high Péclet number, Pe), fingering is associated with three-dimensional structure within the gap between the confining plates. On lowering Pe, we find a sharp transition in the finger morphology at a critical value, Pec (ηi /ηo) 1 / 2 , with ηi (ηo) being the viscosity of the inner (outer) fluid; at this point, the width of the fingers jumps, the length of the fingers shrinks towards zero and the three-dimensional structure goes from half filling to fully filling the gap. Thus, by controlling the viscosity contrast at the interface, one can alter and even completely suppress the instability.

Shock Interaction with a Finite Thickness Two-Gas Interface

NASA Astrophysics Data System (ADS)

Labenski, John; Kim, Yong

2006-03-01

A dual-driver shock tube was used to investigate the growth rate of a finite thickness two-gas interface after shock forcing. One driver was used to create an argon-refrigerant interface as the contact surface behind a weak shock wave. The other driver, at the opposite end of the driven section, generates a stronger shock of Mach 1.1 to 1.3 to force the interface back in front of the detector station. Two schlieren systems record the density fluctuations while light scattering detectors record the density of the refrigerant as a function of position over the interface during both it's initial passage and return. A pair of digital cameras take stereo images of the interface, as mapped out by the tracer particles under illumination by a Q-switched ruby laser. The amount of time that the interface is allowed to travel up the driven section determines the interaction time as a control. Comparisons made between the schlieren signals, light scattering detector outputs, and the images quantify the fingered characteristics of the interface and its growth due to shock forcing. The results show that the interface has a distribution of thicknesses and that the interaction with a shock further broadens the interface.

Dynamics of a single flexible filament in a flowing soap film

NASA Astrophysics Data System (ADS)

Chen, Chaonan; Feng, Shunshan; Zhou, Tong

2016-11-01

The interactions between flexible plates and surrounding fluids like two-dimensional flag-in-wind problems are important physical phenomena. Here we use a spandex filament with one end fixed flapping in gravity-driven soap film device which can be regarded as a quasi-two-dimensional flow tunnel. A silk filament had been used previously to demonstrate three stable dynamical states: stretched-straight, flapping, and bistable states. The similar phenomena occured for a spandex filament while the bifurcation conditions seem to be different compared with a silk filament, as the critical filament length is longer and critical inflow velocity is higher than that for a silk filament. In the experiment, we considered some representative parameters (filament length, inflow velocity, and bending stiffness of the filament) to study their effects on the stability of the filament and its bifurcation conditions. An interface-tracking ALE finite element method was then conducted to reproduce the experiment and investigate more details about effects of these parameters. which are significant to reveal the underlying mechanism of flag-in-wind problem. Corresponding Author. Email:zhoutong@bit.edu.cn.

Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101 \\xAF 0) interface from a high-dimensional neural network potential

NASA Astrophysics Data System (ADS)

Quaranta, Vanessa; Hellström, Matti; Behler, Jörg; Kullgren, Jolla; Mitev, Pavlin D.; Hermansson, Kersti

2018-06-01

Unraveling the atomistic details of solid/liquid interfaces, e.g., by means of vibrational spectroscopy, is of vital importance in numerous applications, from electrochemistry to heterogeneous catalysis. Water-oxide interfaces represent a formidable challenge because a large variety of molecular and dissociated water species are present at the surface. Here, we present a comprehensive theoretical analysis of the anharmonic OH stretching vibrations at the water/ZnO(101 ¯ 0) interface as a prototypical case. Molecular dynamics simulations employing a reactive high-dimensional neural network potential based on density functional theory calculations have been used to sample the interfacial structures. In the second step, one-dimensional potential energy curves have been generated for a large number of configurations to solve the nuclear Schrödinger equation. We find that (i) the ZnO surface gives rise to OH frequency shifts up to a distance of about 4 Å from the surface; (ii) the spectrum contains a number of overlapping signals arising from different chemical species, with the frequencies decreasing in the order ν(adsorbed hydroxide) > ν(non-adsorbed water) > ν(surface hydroxide) > ν(adsorbed water); (iii) stretching frequencies are strongly influenced by the hydrogen bond pattern of these interfacial species. Finally, we have been able to identify substantial correlations between the stretching frequencies and hydrogen bond lengths for all species.

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations

NASA Astrophysics Data System (ADS)

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; Otani, Minoru; Wood, Brandon C.

2015-03-01

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic "quantum capacitance" of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulating charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.

Effects of thermal treatment on the co-rolled U-Mo fuel foils

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

Dennis D. Keiser, Jr.; Tammy L. Trowbridge; Cynthia R. Breckenridge

2014-11-01

A monolithic fuel type is being developed to convert US high performance research and test reactors such as Advanced Test Reactor (ATR) at Idaho National Laboratory from highly enriched uranium (HEU) to low-enriched uranium (LEU). The interaction between the cladding and the U-Mo fuel meat during fuel fabrication and irradiation is known to have negative impacts on fuel performance, such as mechanical integrity and dimensional stability. In order to eliminate/minimize the direct interaction between cladding and fuel meat, a thin zirconium diffusion barrier was introduced between the cladding and U-Mo fuel meat through a co-rolling process. A complex interface betweenmore » the zirconium and U-Mo was developed during the co-rolling process. A predictable interface between zirconium and U-Mo is critical to achieve good fuel performance since the interfaces can be the weakest link in the monolithic fuel system. A post co-rolling annealing treatment is expected to create a well-controlled interface between zirconium and U-Mo. A systematic study utilizing post co-rolling annealing treatment has been carried out. Based on microscopy results, the impacts of the annealing treatment on the interface between zirconium and U-Mo will be presented and an optima annealing treatment schedule will be suggested. The effects of the annealing treatment on the fuel performance will also be discussed.« less

Compressible instability of rapidly expanding spherical material interfaces

NASA Astrophysics Data System (ADS)

Mankbadi, Mina Reda

The focus herein is on the instability of a material interface formed during an abrupt release of concentrated energy as in detonative combustion, explosive dispersals, and inertial-confinement fusion. These applications are modeled as a spherical shock-tube in which high-pressure gas initially contained in a small spherical shell is suddenly released. A forward-moving shock and an inward-moving secondary shock are formed, and between them a material interface develops that separates high-density fluid from the low-density one. The wrinkling of this interface controls mixing and energy release. The interface's stability is studied with and without the inclusion of metalized particulates. A numerical scheme is developed to discretize the full nonlinear equations of the base flow, and the 3D linearized perturbed flow equations. Linearization is followed by spherical harmonic decomposition of the disturbances, thereby reducing the 3D computational domain to one-dimensional radial domain. The 3D physical nature of the disturbances is maintained throughout the procedure. An extended Roe-Pike scheme coupled with a WENO scheme is developed to capture the discontinuities and accurately predict the disturbances. In Chapter 2, the contact interface's stability is analyzed in the inviscid single-phase. The disturbances grow exponentially and the growth rate is insensitive to the radial initial-disturbance profile. For wave numbers less than 100, the results are in accordance with previous theories but clarify that compressibility reduces the growth rate. Unlike the classical RTI, the growth rate reaches saturation at high wavenumbers. The parametric studies show that for specific ratios of initial pressure and temperature, the instability can be eliminated altogether. Chapter 3 discusses the full effects of viscosity and thermal diffusivity. Although Prandtl number effects are minimal, viscous effects dampen the high-wave numbers. For a given Reynolds number there is a peak wave number at which the disturbances are most amplified. In Chapter 4, the multiphase case with metalized particles is investigated. The quasi steady gas-particle interaction forces and heat transfer decelerate the contact interface and reduce its Atwood number, which results in reducing the growth of the interfacial instabilities. A parametric study of the multiphase instability is presented to assist in controlling the instability.

Universal energy distribution for interfaces in a random-field environment

NASA Astrophysics Data System (ADS)

Fedorenko, Andrei A.; Stepanow, Semjon

2003-11-01

We study the energy distribution function ρ(E) for interfaces in a random-field environment at zero temperature by summing the leading terms in the perturbation expansion of ρ(E) in powers of the disorder strength, and by taking into account the nonperturbational effects of the disorder using the functional renormalization group. We have found that the average and the variance of the energy for one-dimensional interface of length L behave as, R∝L ln L, ΔER∝L, while the distribution function of the energy tends for large L to the Gumbel distribution of the extreme value statistics.

Surface evolution in bare bamboo-type metal lines under diffusion and electric field effects

NASA Astrophysics Data System (ADS)

Averbuch, Amir; Israeli, Moshe; Nathan, Menachem; Ravve, Igor

2003-07-01

Irregularities such as voids and cracks often occur in bamboo-type metal lines of microelectronic interconnects. They increase the resistance of the circuits, and may even lead to a fatal failure. In this work, we analyze numerically the electromigration of an unpassivated bamboo-type line with pre-existing irregularities in its top surface (also called a grain-void interface). The bamboo line is subjected to surface diffusion forces and external electric fields. Under these forces, initial defects may either heal or become worse. The grain-void interface is considered to be one-dimensional, and the physical formulation of an electromigration and diffusion model results in two coupled, fourth order, one-dimensional time-dependent PDEs, with the boundary conditions imposed at the electrode points and at the triple point, which belongs to two neighboring grains and the void. These equations are discretized by finite differences on a regular grid in space, and by a Runge-Kutta integration scheme in time, and solved simultaneously with a static Laplace equation describing the voltage distribution throughout each grain, when the substrate conductivity is neglected. Since the voltage distribution is required only along an interface line, the two-dimensional discretization of the grain interior is not needed, and the static problem is solved by the boundary element method at each time step. The motion of the interface line is studied for different ratios between diffusion and electric field forces, and for different initial configurations of the grain-void interface. We study plain and tilted contour lines, considering positive and negative tilts with respect to the external electric field, a stepped contour with field lines entering or exiting the 'step', and a number of modifications of the classical Mullins problem of thermal grooving. We also consider a two-grain Mullins problem with a normal and tilted boundary between the grains, examining positive and negative tilts.

One-dimensional analysis of thin-walled beams with diaphragms and its application to optimization for stiffness reinforcement

NASA Astrophysics Data System (ADS)

Jung, Joon Hee; Jang, Gang-Won; Shin, Dongil; Kim, Yoon Young

2018-03-01

This paper presents a method to analyze thin-walled beams with quadrilateral cross sections reinforced with diaphragms using a one-dimensional higher-order beam theory. The effect of a diaphragm is reflected focusing on the increase of static stiffness. The deformations on the beam-interfacing boundary of a thin diaphragm are described by using deformation modes of the beam cross section while the deformations inside the diaphragm are approximated in the form of complete cubic polynomials. By using the principle of minimum potential energy, its stiffness that significantly affects distortional deformation of a thin-walled beam can be considered in the one-dimensional beam analysis. It is shown that the accuracy of the resulting one-dimensional analysis is comparable with that by a shell element based analysis. As a means to demonstrate the usefulness of the present approach for design, position optimization problems of diaphragms for stiffness reinforcement of an automotive side frame are solved.

Mitigation of Adverse Effects Caused by Shock Wave Boundary Layer Interactions Through Optimal Wall Shaping

NASA Technical Reports Server (NTRS)

Liou, May-Fun; Lee, Byung Joon

2013-01-01

It is known that the adverse effects of shock wave boundary layer interactions in high speed inlets include reduced total pressure recovery and highly distorted flow at the aerodynamic interface plane (AIP). This paper presents a design method for flow control which creates perturbations in geometry. These perturbations are tailored to change the flow structures in order to minimize shock wave boundary layer interactions (SWBLI) inside supersonic inlets. Optimizing the shape of two dimensional micro-size bumps is shown to be a very effective flow control method for two-dimensional SWBLI. In investigating the three dimensional SWBLI, a square duct is employed as a baseline. To investigate the mechanism whereby the geometric elements of the baseline, i.e. the bottom wall, the sidewall and the corner, exert influence on the flow's aerodynamic characteristics, each element is studied and optimized separately. It is found that arrays of micro-size bumps on the bottom wall of the duct have little effect in improving total pressure recovery though they are useful in suppressing the incipient separation in three-dimensional problems. Shaping sidewall geometry is effective in re-distributing flow on the side wall and results in a less distorted flow at the exit. Subsequently, a near 50% reduction in distortion is achieved. A simple change in corner geometry resulted in a 2.4% improvement in total pressure recovery.

The self-assembled behavior of DNA bases on the interface.

PubMed

Liu, Lei; Xia, Dan; Klausen, Lasse H; Dong, Mingdong

2014-01-27

A successful example of self-assembly in a biological system is that DNA can be an excellent agent to self-assemble into desirable two and three-dimensional nanostructures in a well-ordered manner by specific hydrogen bonding interactions between the DNA bases. The self-assembly of DNA bases have played a significant role in constructing the hierarchical nanostructures. In this review article we will introduce the study of nucleic acid base self-assembly by scanning tunneling microscopy (STM) at vacuum and ambient condition (the liquid/solid interface), respectively. From the ideal condition to a more realistic environment, the self-assembled behaviors of DNA bases are introduced. In a vacuum system, the energetic advantages will dominate the assembly formation of DNA bases, while at ambient condition, more factors such as conformational freedom and the biochemical environment will be considered. Therefore, the assemblies of DNA bases at ambient condition are different from the ones obtained under vacuum. We present the ordered nanostructures formed by DNA bases at both vacuum and ambient condition. To construct and tailor the nanostructure through the interaction between DNA bases, it is important to understand the assembly behavior and features of DNA bases and their derivatives at ambient condition. The utilization of STM offers the advantage of investigating DNA base self-assembly with sub-molecular level resolution at the surface.

The Self-Assembled Behavior of DNA Bases on the Interface

PubMed Central

Liu, Lei; Xia, Dan; Klausen, Lasse H.; Dong, Mingdong

2014-01-01

A successful example of self-assembly in a biological system is that DNA can be an excellent agent to self-assemble into desirable two and three-dimensional nanostructures in a well-ordered manner by specific hydrogen bonding interactions between the DNA bases. The self-assembly of DNA bases have played a significant role in constructing the hierarchical nanostructures. In this review article we will introduce the study of nucleic acid base self-assembly by scanning tunneling microscopy (STM) at vacuum and ambient condition (the liquid/solid interface), respectively. From the ideal condition to a more realistic environment, the self-assembled behaviors of DNA bases are introduced. In a vacuum system, the energetic advantages will dominate the assembly formation of DNA bases, while at ambient condition, more factors such as conformational freedom and the biochemical environment will be considered. Therefore, the assemblies of DNA bases at ambient condition are different from the ones obtained under vacuum. We present the ordered nanostructures formed by DNA bases at both vacuum and ambient condition. To construct and tailor the nanostructure through the interaction between DNA bases, it is important to understand the assembly behavior and features of DNA bases and their derivatives at ambient condition. The utilization of STM offers the advantage of investigating DNA base self-assembly with sub-molecular level resolution at the surface. PMID:24473140

Assembly of RNA nanostructures on supported lipid bilayers

PubMed Central

Dabkowska, Aleksandra P.; Michanek, Agnes; Jaeger, Luc; Rabe, Michael; Chworos, Arkadiusz; Höök, Fredrik; Nylander, Tommy; Sparr, Emma

2014-01-01

The assembly of nucleic acid nanostructures with controlled size and shape has large impact in the fields of nanotechnology, nanomedicine and synthetic biology. The directed arrangement of nanostructures at interfaces is important for many applications. In spite of this, the use of laterally mobile lipid bilayers to control RNA three-dimensional nanostructure formation on surfaces remains largely unexplored. Here, we direct the self-assembly of RNA building blocks into three-dimensional structures of RNA on fluid lipid bilayers composed of cationic 1,2-dioleoyl-3-trimethylammonium-propane (DOTAP) or mixtures of zwitterionic 1,2-dioleoyl-sn-glycero-3-phosphatidylcholine (DOPC) and cationic sphingosine. We demonstrate the stepwise supramolecular assembly of discrete building blocks through specific and selective RNA-RNA interactions, based on results from quartz crystal microbalance with dissipation (QCM-D), ellipsometry, fluorescence recovery after photobleaching (FRAP) and total internal reflection fluorescence microscopy (TIRF) experiments. The assembly can be controlled to give a densely packed single layer of RNA polyhedrons at the fluid lipid bilayer surface. We show that assembly of the 3D structure can be modulated by sequence specific interactions, surface charge and changes in the salt composition and concentration. In addition, the tertiary structure of the RNA polyhedron can be controllably switched from an extended structure to one that is dense and compact. The versatile approach to building up three-dimensional structures of RNA does not require modification of the surface or the RNA molecules, and can be used as a bottom-up means of nanofabrication of functionalized bio-mimicking surfaces. PMID:25417592

Lump and lump-soliton solutions to the (2+1) -dimensional Ito equation

NASA Astrophysics Data System (ADS)

Yang, Jin-Yun; Ma, Wen-Xiu; Qin, Zhenyun

2017-06-01

Based on the Hirota bilinear form of the (2+1) -dimensional Ito equation, one class of lump solutions and two classes of interaction solutions between lumps and line solitons are generated through analysis and symbolic computations with Maple. Analyticity is naturally guaranteed for the presented lump and interaction solutions, and the interaction solutions reduce to lumps (or line solitons) while the hyperbolic-cosine (or the quadratic function) disappears. Three-dimensional plots and contour plots are made for two specific examples of the resulting interaction solutions.

Interdimensional effects in systems with quasirelativistic fermions

NASA Astrophysics Data System (ADS)

Zulkoskey, A. C.; Dick, R.; Tanaka, K.

2017-07-01

We examine the Green function and the density of states for fermions moving in three-dimensional Dirac materials with interfaces which affect the propagation properties of particles. Motivation for our research comes from interest in materials that exhibit quasirelativistic dispersion relations. By modifying Dirac-type contributions to the Hamiltonian in an interface we are able to calculate the Green function and the density of states. The density of states inside the interface exhibits interpolating behavior between two and three dimensions, with two-dimensional behavior at high energies and three-dimensional behavior at low energies, provided that the shift in the mass parameter in the interface is small. We also discuss the impact of the interpolating density of states on optical absorption in Dirac materials with a two-dimensional substructure.

Engineered three-dimensional microfluidic device for interrogating cell-cell interactions in the tumor microenvironment.

PubMed

Hockemeyer, K; Janetopoulos, C; Terekhov, A; Hofmeister, W; Vilgelm, A; Costa, Lino; Wikswo, J P; Richmond, A

2014-07-01

Stromal cells in the tumor microenvironment play a key role in the metastatic properties of a tumor. It is recognized that cancer-associated fibroblasts (CAFs) and endothelial cells secrete factors capable of influencing tumor cell migration into the blood or lymphatic vessels. We developed a microfluidic device that can be used to image the interactions between stromal cells and tumor cell spheroids in a three dimensional (3D) microenvironment while enabling external control of interstitial flow at an interface, which supports endothelial cells. The apparatus couples a 200-μm channel with a semicircular well to mimic the interface of a blood vessel with the stroma, and the design allows for visualization of the interactions of interstitial flow, endothelial cells, leukocytes, and fibroblasts with the tumor cells. We observed that normal tissue-associated fibroblasts (NAFs) contribute to the "single file" pattern of migration of tumor cells from the spheroid in the 3D microenvironment. In contrast, CAFs induce a rapid dispersion of tumor cells out of the spheroid with migration into the 3D matrix. Moreover, treatment of tumor spheroid cultures with the chemokine CXCL12 mimics the effect of the CAFs, resulting in similar patterns of dispersal of the tumor cells from the spheroid. Conversely, addition of CXCL12 to co-cultures of NAFs with tumor spheroids did not mimic the effects observed with CAF co-cultures, suggesting that NAFs produce factors that stabilize the tumor spheroids to reduce their migration in response to CXCL12.

A 3D, fully Eulerian, VOF-based solver to study the interaction between two fluids and moving rigid bodies using the fictitious domain method

NASA Astrophysics Data System (ADS)

Pathak, Ashish; Raessi, Mehdi

2016-04-01

We present a three-dimensional (3D) and fully Eulerian approach to capturing the interaction between two fluids and moving rigid structures by using the fictitious domain and volume-of-fluid (VOF) methods. The solid bodies can have arbitrarily complex geometry and can pierce the fluid-fluid interface, forming contact lines. The three-phase interfaces are resolved and reconstructed by using a VOF-based methodology. Then, a consistent scheme is employed for transporting mass and momentum, allowing for simulations of three-phase flows of large density ratios. The Eulerian approach significantly simplifies numerical resolution of the kinematics of rigid bodies of complex geometry and with six degrees of freedom. The fluid-structure interaction (FSI) is computed using the fictitious domain method. The methodology was developed in a message passing interface (MPI) parallel framework accelerated with graphics processing units (GPUs). The computationally intensive solution of the pressure Poisson equation is ported to GPUs, while the remaining calculations are performed on CPUs. The performance and accuracy of the methodology are assessed using an array of test cases, focusing individually on the flow solver and the FSI in surface-piercing configurations. Finally, an application of the proposed methodology in simulations of the ocean wave energy converters is presented.

Uniform high order spectral methods for one and two dimensional Euler equations

NASA Technical Reports Server (NTRS)

Cai, Wei; Shu, Chi-Wang

1991-01-01

Uniform high order spectral methods to solve multi-dimensional Euler equations for gas dynamics are discussed. Uniform high order spectral approximations with spectral accuracy in smooth regions of solutions are constructed by introducing the idea of the Essentially Non-Oscillatory (ENO) polynomial interpolations into the spectral methods. The authors present numerical results for the inviscid Burgers' equation, and for the one dimensional Euler equations including the interactions between a shock wave and density disturbance, Sod's and Lax's shock tube problems, and the blast wave problem. The interaction between a Mach 3 two dimensional shock wave and a rotating vortex is simulated.

A dusty plasma 1-ring to rule them all

NASA Astrophysics Data System (ADS)

Sheridan, T. E.; Gallagher, James C.

2010-04-01

One-dimensional and quasi-one-dimensional strongly-coupled dusty plasma rings have been created experimentally in the DONUT (Dusty ONU experimenT) apparatus. Longitudinal (acoustic) and transverse (optical) dispersion relations for the 1-ring were measured and found to be in very good agreement with the theory for an unbounded straight chain of particles interacting through a Yukawa (i.e., screened Coulomb or Debye-H"uckel) potential. These rings provide a new system in which to study one-dimensional and quasi-one-dimensional physics.

Polyallylamine-Rh nanosheet nanoassemblies-carbon nanotubes organic-inorganic nanohybrids: A electrocatalyst superior to Pt for the hydrogen evolution reaction

NASA Astrophysics Data System (ADS)

Bai, Juan; Xing, Shi-Hui; Zhu, Ying-Ying; Jiang, Jia-Xing; Zeng, Jing-Hui; Chen, Yu

2018-05-01

Rationally tailoring the surface/interface structures of noble metal nanostructures emerges as a highly efficient method for improving their electrocatalytic activity, selectivity, and long-term stability. Recently, hydrogen evolution reaction is attracting more and more attention due to the energy crisis and environment pollution. Herein, we successfully synthesize polyallylamine-functionalized rhodium nanosheet nanoassemblies-carbon nanotube nanohybrids via a facile one-pot hydrothermal method. Three-dimensionally branched rhodium nanosheet nanoassemblies are consisted of two dimensionally atomically thick ultrathin rhodium nanosheets. The as-prepared polyallylamine-functionalized rhodium nanosheet nanoassemblies-carbon nanotube nanohybrids show the excellent electrocatalytic activity for the hydrogen evolution reaction in acidic media, with a low onset reduction potential of -1 mV, a small overpotential of 5 mV at 10 mA cm-2, which is much superior to commercial platinum nanocrystals. Two dimensionally ultrathin morphology of rhodium nanosheet, particular rhodium-polyallylamine interface, and three-dimensionally networks induced by carbon nanotube are the key factors for the excellent hydrogen evolution reaction activity in acidic media.

A coupled surface-water and ground-water flow model (MODBRANCH) for simulation of stream-aquifer interaction

USGS Publications Warehouse

Swain, Eric D.; Wexler, Eliezer J.

1996-01-01

Ground-water and surface-water flow models traditionally have been developed separately, with interaction between subsurface flow and streamflow either not simulated at all or accounted for by simple formulations. In areas with dynamic and hydraulically well-connected ground-water and surface-water systems, stream-aquifer interaction should be simulated using deterministic responses of both systems coupled at the stream-aquifer interface. Accordingly, a new coupled ground-water and surface-water model was developed by combining the U.S. Geological Survey models MODFLOW and BRANCH; the interfacing code is referred to as MODBRANCH. MODFLOW is the widely used modular three-dimensional, finite-difference ground-water model, and BRANCH is a one-dimensional numerical model commonly used to simulate unsteady flow in open- channel networks. MODFLOW was originally written with the River package, which calculates leakage between the aquifer and stream, assuming that the stream's stage remains constant during one model stress period. A simple streamflow routing model has been added to MODFLOW, but is limited to steady flow in rectangular, prismatic channels. To overcome these limitations, the BRANCH model, which simulates unsteady, nonuniform flow by solving the St. Venant equations, was restructured and incorporated into MODFLOW. Terms that describe leakage between stream and aquifer as a function of streambed conductance and differences in aquifer and stream stage were added to the continuity equation in BRANCH. Thus, leakage between the aquifer and stream can be calculated separately in each model, or leakages calculated in BRANCH can be used in MODFLOW. Total mass in the coupled models is accounted for and conserved. The BRANCH model calculates new stream stages for each time interval in a transient simulation based on upstream boundary conditions, stream properties, and initial estimates of aquifer heads. Next, aquifer heads are calculated in MODFLOW based on stream stages calculated by BRANCH, aquifer properties, and stresses. This process is repeated until convergence criteria are met for head and stage. Because time steps used in ground-water modeling can be much longer than time intervals used in surface- water simulations, provision has been made for handling multiple BRANCH time intervals within one MODFLOW time step. An option was also added to BRANCH to allow the simulation of channel drying and rewetting. Testing of the coupled model was verified by using data from previous studies; by comparing results with output from a simpler, four-point implicit, open-channel flow model linked with MODFLOW; and by comparison to field studies of L-31N canal in southern Florida.

Analysis of User Interaction with a Brain-Computer Interface Based on Steady-State Visually Evoked Potentials: Case Study of a Game

PubMed Central

de Carvalho, Sarah Negreiros; Costa, Thiago Bulhões da Silva; Attux, Romis; Hornung, Heiko Horst; Arantes, Dalton Soares

2018-01-01

This paper presents a systematic analysis of a game controlled by a Brain-Computer Interface (BCI) based on Steady-State Visually Evoked Potentials (SSVEP). The objective is to understand BCI systems from the Human-Computer Interface (HCI) point of view, by observing how the users interact with the game and evaluating how the interface elements influence the system performance. The interactions of 30 volunteers with our computer game, named “Get Coins,” through a BCI based on SSVEP, have generated a database of brain signals and the corresponding responses to a questionnaire about various perceptual parameters, such as visual stimulation, acoustic feedback, background music, visual contrast, and visual fatigue. Each one of the volunteers played one match using the keyboard and four matches using the BCI, for comparison. In all matches using the BCI, the volunteers achieved the goals of the game. Eight of them achieved a perfect score in at least one of the four matches, showing the feasibility of the direct communication between the brain and the computer. Despite this successful experiment, adaptations and improvements should be implemented to make this innovative technology accessible to the end user. PMID:29849549

Analysis of User Interaction with a Brain-Computer Interface Based on Steady-State Visually Evoked Potentials: Case Study of a Game.

PubMed

Leite, Harlei Miguel de Arruda; de Carvalho, Sarah Negreiros; Costa, Thiago Bulhões da Silva; Attux, Romis; Hornung, Heiko Horst; Arantes, Dalton Soares

2018-01-01

This paper presents a systematic analysis of a game controlled by a Brain-Computer Interface (BCI) based on Steady-State Visually Evoked Potentials (SSVEP). The objective is to understand BCI systems from the Human-Computer Interface (HCI) point of view, by observing how the users interact with the game and evaluating how the interface elements influence the system performance. The interactions of 30 volunteers with our computer game, named "Get Coins," through a BCI based on SSVEP, have generated a database of brain signals and the corresponding responses to a questionnaire about various perceptual parameters, such as visual stimulation, acoustic feedback, background music, visual contrast, and visual fatigue. Each one of the volunteers played one match using the keyboard and four matches using the BCI, for comparison. In all matches using the BCI, the volunteers achieved the goals of the game. Eight of them achieved a perfect score in at least one of the four matches, showing the feasibility of the direct communication between the brain and the computer. Despite this successful experiment, adaptations and improvements should be implemented to make this innovative technology accessible to the end user.

Non-interacting surface solvation and dynamics in protein-protein interactions.

PubMed

Visscher, Koen M; Kastritis, Panagiotis L; Bonvin, Alexandre M J J

2015-03-01

Protein-protein interactions control a plethora of cellular processes, including cell proliferation, differentiation, apoptosis, and signal transduction. Understanding how and why proteins interact will inevitably lead to novel structure-based drug design methods, as well as design of de novo binders with preferred interaction properties. At a structural and molecular level, interface and rim regions are not enough to fully account for the energetics of protein-protein binding, even for simple lock-and-key rigid binders. As we have recently shown, properties of the global surface might also play a role in protein-protein interactions. Here, we report on molecular dynamics simulations performed to understand solvent effects on protein-protein surfaces. We compare properties of the interface, rim, and non-interacting surface regions for five different complexes and their free components. Interface and rim residues become, as expected, less mobile upon complexation. However, non-interacting surface appears more flexible in the complex. Fluctuations of polar residues are always lower compared with charged ones, independent of the protein state. Further, stable water molecules are often observed around polar residues, in contrast to charged ones. Our analysis reveals that (a) upon complexation, the non-interacting surface can have a direct entropic compensation for the lower interface and rim entropy and (b) the mobility of the first hydration layer, which is linked to the stability of the protein-protein complex, is influenced by the local chemical properties of the surface. These findings corroborate previous hypotheses on the role of the hydration layer in shielding protein-protein complexes from unintended protein-protein interactions. © 2014 Wiley Periodicals, Inc.

Asymptotic modeling of transport phenomena at the interface between a fluid and a porous layer: Jump conditions

NASA Astrophysics Data System (ADS)

Angot, Philippe; Goyeau, Benoît; Ochoa-Tapia, J. Alberto

2017-06-01

We develop asymptotic modeling for two- or three-dimensional viscous fluid flow and convective transfer at the interface between a fluid and a porous layer. The asymptotic model is based on the fact that the thickness d of the interfacial transition region Ωfp of the one-domain representation is very small compared to the macroscopic length scale L . The analysis leads to an equivalent two-domain representation where transport phenomena in the transition layer of the one-domain approach are represented by algebraic jump boundary conditions at a fictive dividing interface Σ between the homogeneous fluid and porous regions. These jump conditions are thus stated up to first-order in O (d /L ) with d /L ≪1 . The originality and relevance of this asymptotic model lies in its general and multidimensional character. Indeed, it is shown that all the jump interface conditions derived for the commonly used 1D-shear flow are recovered by taking the tangential component of the asymptotic model. In that case, the comparison between the present model and the different models available in the literature gives explicit expressions of the effective jump coefficients and their associated scaling. In addition for multi-dimensional flows, the general asymptotic model yields the different components of the jump conditions including a new specific equation for the cross-flow pressure jump on Σ .

Asymptotic modeling of transport phenomena at the interface between a fluid and a porous layer: Jump conditions.

PubMed

Angot, Philippe; Goyeau, Benoît; Ochoa-Tapia, J Alberto

2017-06-01

We develop asymptotic modeling for two- or three-dimensional viscous fluid flow and convective transfer at the interface between a fluid and a porous layer. The asymptotic model is based on the fact that the thickness d of the interfacial transition region Ω_{fp} of the one-domain representation is very small compared to the macroscopic length scale L. The analysis leads to an equivalent two-domain representation where transport phenomena in the transition layer of the one-domain approach are represented by algebraic jump boundary conditions at a fictive dividing interface Σ between the homogeneous fluid and porous regions. These jump conditions are thus stated up to first-order in O(d/L) with d/L≪1. The originality and relevance of this asymptotic model lies in its general and multidimensional character. Indeed, it is shown that all the jump interface conditions derived for the commonly used 1D-shear flow are recovered by taking the tangential component of the asymptotic model. In that case, the comparison between the present model and the different models available in the literature gives explicit expressions of the effective jump coefficients and their associated scaling. In addition for multi-dimensional flows, the general asymptotic model yields the different components of the jump conditions including a new specific equation for the cross-flow pressure jump on Σ.

Characteristics of Organic-Metal Interaction: A Perspective from Bonding Distance to Orbital Delocalization

NASA Astrophysics Data System (ADS)

Kera, Satoshi; Hosokai, Takuya; Duhm, Steffen

2018-06-01

Understanding the mechanisms of energy-level alignment and charge transfer at the interface is one of the key issues in realizing organic electronics. However, the relation between the interface structure and the electronic structure is still not resolved in sufficient detail. An important character of materials used in organic electronics is the electronic localization of organic molecules at interfaces. To elucidate the impact of the molecular orbital distribution on the electronic structure, detailed structural information is required, particularly the vertical bonding distance at the interface, which is a signature of the interaction strength. We describe the recent progress in experimental studies on the impact of the molecule-metal interaction on the electronic structure of organic-metal interfaces by using various photoelectron spectroscopies, and review the results, focusing on the X-ray standing wave technique, to demonstrate the evaluation of the vertical bonding distance.

From face to interface recognition: a differential geometric approach to distinguish DNA from RNA binding surfaces.

PubMed

Shazman, Shula; Elber, Gershon; Mandel-Gutfreund, Yael

2011-09-01

Protein nucleic acid interactions play a critical role in all steps of the gene expression pathway. Nucleic acid (NA) binding proteins interact with their partners, DNA or RNA, via distinct regions on their surface that are characterized by an ensemble of chemical, physical and geometrical properties. In this study, we introduce a novel methodology based on differential geometry, commonly used in face recognition, to characterize and predict NA binding surfaces on proteins. Applying the method on experimentally solved three-dimensional structures of proteins we successfully classify double-stranded DNA (dsDNA) from single-stranded RNA (ssRNA) binding proteins, with 83% accuracy. We show that the method is insensitive to conformational changes that occur upon binding and can be applicable for de novo protein-function prediction. Remarkably, when concentrating on the zinc finger motif, we distinguish successfully between RNA and DNA binding interfaces possessing the same binding motif even within the same protein, as demonstrated for the RNA polymerase transcription-factor, TFIIIA. In conclusion, we present a novel methodology to characterize protein surfaces, which can accurately tell apart dsDNA from an ssRNA binding interfaces. The strength of our method in recognizing fine-tuned differences on NA binding interfaces make it applicable for many other molecular recognition problems, with potential implications for drug design.

Effects of Prior Knowledge in Mathematics on Learner-Interface Interactions in a Learning-by-Teaching Intelligent Tutoring System

ERIC Educational Resources Information Center

Bringula, Rex P.; Basa, Roselle S.; Dela Cruz, Cecilio; Rodrigo, Ma. Mercedes T.

2016-01-01

This study attempted to determine the influence of prior knowledge in mathematics of students on learner-interface interactions in a learning-by-teaching intelligent tutoring system. One hundred thirty-nine high school students answered a pretest (i.e., the prior knowledge in mathematics) and a posttest. In between the pretest and posttest, they…

Generating Animated Displays of Spacecraft Orbits

NASA Technical Reports Server (NTRS)

Candey, Robert M.; Chimiak, Reine A.; Harris, Bernard T.

2005-01-01

Tool for Interactive Plotting, Sonification, and 3D Orbit Display (TIPSOD) is a computer program for generating interactive, animated, four-dimensional (space and time) displays of spacecraft orbits. TIPSOD utilizes the programming interface of the Satellite Situation Center Web (SSCWeb) services to communicate with the SSC logic and database by use of the open protocols of the Internet. TIPSOD is implemented in Java 3D and effects an extension of the preexisting SSCWeb two-dimensional static graphical displays of orbits. Orbits can be displayed in any or all of the following seven reference systems: true-of-date (an inertial system), J2000 (another inertial system), geographic, geomagnetic, geocentric solar ecliptic, geocentric solar magnetospheric, and solar magnetic. In addition to orbits, TIPSOD computes and displays Sibeck's magnetopause and Fairfield's bow-shock surfaces. TIPSOD can be used by the scientific community as a means of projection or interpretation. It also has potential as an educational tool.

A transferable coarse-grained model for diphenylalanine: How to represent an environment driven conformational transition

NASA Astrophysics Data System (ADS)

Dalgicdir, Cahit; Sensoy, Ozge; Peter, Christine; Sayar, Mehmet

2013-12-01

One of the major challenges in the development of coarse grained (CG) simulation models that aim at biomolecular structure formation processes is the correct representation of an environment-driven conformational change, for example, a folding/unfolding event upon interaction with an interface or upon aggregation. In the present study, we investigate this transferability challenge for a CG model using the example of diphenylalanine. This dipeptide displays a transition from a trans-like to a cis-like conformation upon aggregation as well as upon transfer from bulk water to the cyclohexane/water interface. Here, we show that one can construct a single CG model that can reproduce both the bulk and interface conformational behavior and the segregation between hydrophobic/hydrophilic medium. While the general strategy to obtain nonbonded interactions in the present CG model is to reproduce solvation free energies of small molecules representing the CG beads in the respective solvents, the success of the model strongly depends on nontrivial decisions one has to make to capture the delicate balance between the bonded and nonbonded interactions. In particular, we found that the peptide's conformational behavior is qualitatively affected by the cyclohexane/water interaction potential, an interaction that does not directly involve the peptide at all but merely influences the properties of the hydrophobic/hydrophilic interface. Furthermore, we show that a small modification to improve the structural/conformational properties of the CG model could dramatically alter the thermodynamic properties.

Tuning Optoelectronic Properties of Organic Semiconductors Via Donor-Acceptor Cocrystals and Interfacial Composites

NASA Astrophysics Data System (ADS)

Wang, Chen

Organic donor-acceptor (D-A) interaction has attracted intensive research interest because of the promising applications in electronic devices and renewable energy. Depending on the interaction process, the optoelectronic properties of organic semiconductors may change dramatically. To improve their performance and expand the applications, we have investigated the structure-property relationship in D-A cocrystals and nanofibril composites. These materials provide unique D-A interface structures, thus allowing tunable charge transfer across the interface, which can be modified and controlled by exquisite molecule design and supramolecular assembly. In Chapter 2, we studied the fabrication, conductivity, and chemiresistive sensor performance of tetrathiafulvalene (TTF) - 7,7,8,8-tetracyanoquinodimethane (TCNQ) charge transfer cocrystal microfibers. Compared to TCNQ and TTF, TTF-TCNQ cocrystal has much higher conductivity under ambient conditions, due to the high yield of charge separation, which also induces high polarization at the interface, resulting in different binding intensity towards alkyl and aromatic amines. Based on this investment, we developed a TTF-TCNQ chemiresistive sensor to efficiently discriminate alkyl and aromatic amine vapors. In Chapter 3, we further designed a new series of D-A cocrystals, and studied the coassembly and optical properties. The cocrystal is composed of coronene and perylene diimide at 1:1 molar ratio and belongs to the triclinic system, as confirmed by X-ray analysis. The donor and acceptor molecules perform an alternate pi-pi stacking along the (100) direction, leading to the strong one-dimensional growth tendency of macroscopic cocrystal. Additionally, due to the charge transfer interaction, the cocrystal shows a new and largely red-shifted photoluminescence band, compared to the crystals of the components. In Chapter 4, we alternatively developed a series of donor-acceptor nanofibril composites, in which the donor and acceptor nanofibers become the building blocks. By changing the side chains into alkyl groups, the composite forms a homogeneous film with a large donor-acceptor interface and favorable photoinduced charge transfer, leading to a high photoconductivity enhancement, which is a three order magnification of the photoconductivity of the donor and acceptor nanofibers. Furthermore, our measurement proved the D-A interface with alkyl chains interdigitating is compatible and tunable to external alkane vapors, making the composite suitable for chemiresistive sensors for alkane detection.

Virtual reality in medical education and assessment

NASA Technical Reports Server (NTRS)

Sprague, Laurie A.; Bell, Brad; Sullivan, Tim; Voss, Mark; Payer, Andrew F.; Goza, Stewart Michael

1994-01-01

The NASA Johnson Space Center (JSC)/LinCom Corporation, the University of Texas Medical Branch at Galveston (UTMB), and the Galveston Independent School District (GISD) have teamed up to develop a virtual visual environment display (VIVED) that provides a unique educational experience using virtual reality (VR) technologies. The VIVED end product will be a self-contained educational experience allowing students a new method of learning as they interact with the subject matter through VR. This type of interface is intuitive and utilizes spatial and psychomotor abilities which are now constrained or reduced by the current two dimensional terminals and keyboards. The perpetual challenge to educators remains the identification and development of methodologies which conform the learners abilities and preferences. The unique aspects of VR provide an opportunity to explore a new educational experience. Endowing medical students with an understanding of the human body poses some difficulty challenges. One of the most difficult is to convey the three dimensional nature of anatomical structures. The ideal environment for addressing this problem would be one that allows students to become small enough to enter the body and travel through it - much like a person walks through a building. By using VR technology, this effect can be achieved; when VR is combined with multimedia technologies, the effect can be spectacular.

Doping-Driven Wettability of Two-Dimensional Materials: A Multiscale Theory.

PubMed

Tian, Tian; Lin, Shangchao; Li, Siyu; Zhao, Lingling; Santos, Elton J G; Shih, Chih-Jen

2017-11-07

Engineering molecular interactions at two-dimensional (2D) materials interfaces enables new technological opportunities in functional surfaces and molecular epitaxy. Understanding the wettability of 2D materials represents the crucial first step toward quantifying the interplay between the interfacial forces and electric potential of 2D materials interfaces. Here we develop the first theoretical framework to model the wettability of the doped 2D materials by properly bridging the multiscale physical phenomena at the 2D interfaces, including (i) the change of 2D materials surface energy (atomistic scale, several angstroms), (ii) the molecular reorientation of liquid molecules adjacent to the interface (molecular scale, 10 0 -10 1 nm), and (iii) the electrical double layer (EDL) formed in the liquid phase (mesoscopic scales, 10 0 -10 4 nm). The latter two effects are found to be the major mechanisms responsible for the contact angle change upon doping, while the surface energy change of a pure 2D material has no net effect on the wetting property. When the doping level is electrostatically tuned, we demonstrate that 2D materials with high quantum capacitances (e.g., transition metal dichalcogenides, TMDCs) possess a wider range of tunability in the interfacial tension, under the same applied gate voltage. Furthermore, practical considerations such as defects and airborne contamination are also quantitatively discussed. Our analysis implies that the doping level can be another variable to modulate the wettability at 2D materials interfaces, as well as the molecular packing behavior on a 2D material-coated surface, essentially facilitating the interfacial engineering of 2D materials.

Electrical and thermal transport in the quasiatomic limit of coupled Luttinger liquids

NASA Astrophysics Data System (ADS)

Szasz, Aaron; Ilan, Roni; Moore, Joel E.

2017-02-01

We introduce a new model for quasi-one-dimensional materials, motivated by intriguing but not yet well-understood experiments that have shown two-dimensional polymer films to be promising materials for thermoelectric devices. We consider a two-dimensional material consisting of many one-dimensional systems, each treated as a Luttinger liquid, with weak (incoherent) coupling between them. This approximation of strong interactions within each one-dimensional chain and weak coupling between them is the "quasiatomic limit." We find integral expressions for the (interchain) transport coefficients, including the electrical and thermal conductivities and the thermopower, and we extract their power law dependencies on temperature. Luttinger liquid physics is manifested in a violation of the Wiedemann-Franz law; the Lorenz number is larger than the Fermi liquid value by a factor between γ2 and γ4, where γ ≥1 is a measure of the electron-electron interaction strength in the system.

Nature of superconductor-insulator transition at LaAlO{sub 3}/SrTiO{sub 3} interface

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

Mohanta, N., E-mail: nmohanta@phy.iitkgp.ernet.in; Taraphder, A.; Centre for Theoretical Studies, Indian Institute of Technology Kharagpur, W. B. 721302

2015-05-15

The two-dimensional electron liquid, at the interface between two band insulators LaAlO{sub 3} and SrTiO{sub 3}, exhibits novel, unconventional superconductivity below 200 mK. One of the remarkable properties of the two-dimensional superconductor is its fantastic tunability by external parameters such as gate-voltage or magnetic field. We study the superconductor to insulator transition induced by gate-voltage by employing a self-consistent, mean-field Bogoliubov-de Gennes treatment based on an effective model. We show that the non-monotonic behaviour of the superconductivity with respect to gate-voltage is intrinsically due to the Rashba spin-orbit coupling. With increasing gate-voltage both the electron concentration and Rashba spin-orbit splittingmore » increases. Elevated electron filling boosts superconductivity whereas enhanced spin-orbit splitting annihilates electron-pairing. The non-monotonicity is a result of this competition. The device application of the superconductor-insulator transition in this interface is discussed.« less

Experimental Investigation of Shock-Shock Interactions Over a 2-D Wedge at M=6

NASA Technical Reports Server (NTRS)

Jones, Michelle L.

2013-01-01

The effects of fin-leading-edge radius and sweep angle on peak heating rates due to shock-shock interactions were investigated in the NASA Langley Research Center 20-inch Mach 6 Air Tunnel. The fin model leading edges, which represent cylindrical leading edges or struts on hypersonic vehicles, were varied from 0.25 inches to 0.75 inches in radius. A 9deg wedge generated a planar oblique shock at 16.7deg to the flow that intersected the fin bow shock, producing a shock-shock interaction that impinged on the fin leading edge. The fin angle of attack was varied from 0deg (normal to the free-stream) to 15deg and 25deg swept forward. Global temperature data was obtained from the surface of the fused silica fins through phosphor thermography. Metal oil flow models with the same geometries as the fused silica models were used to visualize the streamline patterns for each angle of attack. High-speed zoom-schlieren videos were recorded to show the features and temporal unsteadiness of the shock-shock interactions. The temperature data were analyzed using one-dimensional semi-infinite as well as one- and two-dimensional finite-volume methods to determine the proper heat transfer analysis approach to minimize errors from lateral heat conduction due to the presence of strong surface temperature gradients induced by the shock interactions. The general trends in the leading-edge heat transfer behavior were similar for the three shock-shock interactions, respectively, between the test articles with varying leading-edge radius. The dimensional peak heat transfer coefficient augmentation increased with decreasing leading-edge radius. The dimensional peak heat transfer output from the two-dimensional code was about 20% higher than the value from a standard, semi-infinite one-dimensional method.

Macroscopic traveling packet and soliton states of quasi-one-dimensional flocks.

PubMed

Guttenberg, Nicholas; Toner, John; Tu, Yuhai

2014-05-01

Using a continuum model for inhomogeneous flocks, we show that a finite but arbitrarily large moving "packet" of active particles (e.g., moving creatures) can form in a background of a lower density disordered phase of these particles, like a liquid drop surrounded by vapor. The "vapor density" of the disordered background can be made arbitrarily low. We find three basic types of quasi-one-dimensional states: "longitudinal", "transverse", and "oblique" states, with their internal velocity fields, respectively, parallel, perpendicular, and oblique to the interface. The transitions between these states are also studied.

One dimensional two-body collisions experiment based on LabVIEW interface with Arduino

NASA Astrophysics Data System (ADS)

Saphet, Parinya; Tong-on, Anusorn; Thepnurat, Meechai

2017-09-01

The purpose of this work is to build a physics lab apparatus that is modern, low-cost and simple. In one dimensional two-body collisions experiment, we used the Arduino UNO R3 as a data acquisition system which was controlled by LabVIEW program. The photogate sensors were designed using LED and LDR to measure position as a function of the time. Aluminium frame houseware and blower were used for the air track system. In both totally inelastic and elastic collision experiments, the results of momentum and energy conservation are in good agreement with the theoretical calculations.

Complex Behavior of Aqueous α-Cyclodextrin Solutions. Interfacial Morphologies Resulting from Bulk Aggregation.

PubMed

Hernandez-Pascacio, Jorge; Piñeiro, Ángel; Ruso, Juan M; Hassan, Natalia; Campbell, Richard A; Campos-Terán, José; Costas, Miguel

2016-07-05

The spontaneous aggregation of α-cyclodextrin (α-CD) molecules in the bulk aqueous solution and the interactions of the resulting aggregates at the liquid/air interface have been studied at 283 K using a battery of techniques: transmission electron microscopy, dynamic light scattering, dynamic surface tensiometry, Brewster angle microscopy, neutron reflectometry, and ellipsometry. We show that α-CD molecules spontaneously form aggregates in the bulk that grow in size with time. These aggregates adsorb to the liquid/air interface with their size in the bulk determining the adsorption rate. The material that reaches the interface coalesces laterally to form two-dimensional domains on the micrometer scale with a layer thickness on the nanometer scale. These processes are affected by the ages of both the bulk and the interface. The interfacial layer formed is not in fast dynamic equilibrium with the subphase as the resulting morphology is locked in a kinetically trapped state. These results reveal a surprising complexity of the parallel physical processes taking place in the bulk and at the interface of what might have seemed initially like a simple system.

Partial liquid-penetration inside a deep trench by film flowing over it

NASA Astrophysics Data System (ADS)

Nguyen, Phuc-Khanh; Dimakopoulos, Yiannis; Tsamopoulos, John

2014-11-01

Liquid film flow along substrates featuring a deep trench may not wet the trench floor, but create a second gas-liquid interface inside the trench. The liquid penetration inside the trench depends on the location and shape of this inner interface. The penetration increases by decreasing the two three-phase contact lines between the inner interface and the two side-walls or the flow rate and depends on the liquid properties. This partial-penetration is studied by employing the Galerkin / finite element method to solve the two-dimensional steady-state Navier-Stokes equations in a physical domain that is adaptively remeshed. Multiple branches of steady solutions connected via turning points are revealed by pseudo arc-length continuation. Flow hysteresis may occur in a certain range of liquid penetration depth, when the interaction of the two interfaces changes qualitatively. This induces an abrupt jump of penetration distance and deformation amplitude of the outer interface. Work supported by the General Secretariat of Research & Technology of Greece through the program ``Excellence'' (Grant No. 1918) in the framework ``Education and Lifelong Learning'' co-funded by the ESF.

Fundamentals of lateral and vertical heterojunctions of atomically thin materials.

PubMed

Pant, Anupum; Mutlu, Zafer; Wickramaratne, Darshana; Cai, Hui; Lake, Roger K; Ozkan, Cengiz; Tongay, Sefaattin

2016-02-21

At the turn of this century, Herbert Kroemer, the 2000 Nobel Prize winner in Physics, famously commented that "the interface is the device". This statement has since opened up unparalleled opportunities at the interface of conventional three-dimensional (3D) materials (H. Kroemer, Quasi-Electric and Quasi-Magnetic Fields in Non-Uniform Semiconductors, RCA Rev., 1957, 18, 332-342). More than a decade later, Sir Andre Geim and Irina Grigorieva presented their views on 2D heterojunctions which further cultivated broad interests in the 2D materials field. Currently, advances in two-dimensional (2D) materials enable us to deposit layered materials that are only one or few unit-cells in thickness to construct sharp in-plane and out-of-plane interfaces between dissimilar materials, and to be able to fabricate novel devices using these cutting-edge techniques. The interface alone, which traditionally dominated overall device performance, thus has now become the device itself. Fueled by recent progress in atomically thin materials, we are now at the ultimate limit of interface physics, which brings to us new and exciting opportunities, with equally demanding challenges. This paper endeavors to provide stalwarts and newcomers a perspective on recent advances in synthesis, fundamentals, applications, and future prospects of a large variety of heterojunctions of atomically thin materials.

A computational method for sharp interface advection

PubMed Central

Bredmose, Henrik; Jasak, Hrvoje

2016-01-01

We devise a numerical method for passive advection of a surface, such as the interface between two incompressible fluids, across a computational mesh. The method is called isoAdvector, and is developed for general meshes consisting of arbitrary polyhedral cells. The algorithm is based on the volume of fluid (VOF) idea of calculating the volume of one of the fluids transported across the mesh faces during a time step. The novelty of the isoAdvector concept consists of two parts. First, we exploit an isosurface concept for modelling the interface inside cells in a geometric surface reconstruction step. Second, from the reconstructed surface, we model the motion of the face–interface intersection line for a general polygonal face to obtain the time evolution within a time step of the submerged face area. Integrating this submerged area over the time step leads to an accurate estimate for the total volume of fluid transported across the face. The method was tested on simple two-dimensional and three-dimensional interface advection problems on both structured and unstructured meshes. The results are very satisfactory in terms of volume conservation, boundedness, surface sharpness and efficiency. The isoAdvector method was implemented as an OpenFOAM® extension and is published as open source. PMID:28018619

Simulations of viscous and compressible gas-gas flows using high-order finite difference schemes

NASA Astrophysics Data System (ADS)

Capuano, M.; Bogey, C.; Spelt, P. D. M.

2018-05-01

A computational method for the simulation of viscous and compressible gas-gas flows is presented. It consists in solving the Navier-Stokes equations associated with a convection equation governing the motion of the interface between two gases using high-order finite-difference schemes. A discontinuity-capturing methodology based on sensors and a spatial filter enables capturing shock waves and deformable interfaces. One-dimensional test cases are performed as validation and to justify choices in the numerical method. The results compare well with analytical solutions. Shock waves and interfaces are accurately propagated, and remain sharp. Subsequently, two-dimensional flows are considered including viscosity and thermal conductivity. In Richtmyer-Meshkov instability, generated on an air-SF6 interface, the influence of the mesh refinement on the instability shape is studied, and the temporal variations of the instability amplitude is compared with experimental data. Finally, for a plane shock wave propagating in air and impacting a cylindrical bubble filled with helium or R22, numerical Schlieren pictures obtained using different grid refinements are found to compare well with experimental shadow-photographs. The mass conservation is verified from the temporal variations of the mass of the bubble. The mean velocities of pressure waves and bubble interface are similar to those obtained experimentally.

Solitons interaction and integrability for a (2+1)-dimensional variable-coefficient Broer-Kaup system in water waves

NASA Astrophysics Data System (ADS)

Zhao, Xue-Hui; Tian, Bo; Guo, Yong-Jiang; Li, Hui-Min

2018-03-01

Under investigation in this paper is a (2+1)-dimensional variable-coefficient Broer-Kaup system in water waves. Via the symbolic computation, Bell polynomials and Hirota method, the Bäcklund transformation, Lax pair, bilinear forms, one- and two-soliton solutions are derived. Propagation and interaction for the solitons are illustrated: Amplitudes and shapes of the one soliton keep invariant during the propagation, which implies that the transport of the energy is stable for the (2+1)-dimensional water waves; and inelastic interactions between the two solitons are discussed. Elastic interactions between the two parabolic-, cubic- and periodic-type solitons are displayed, where the solitonic amplitudes and shapes remain unchanged except for certain phase shifts. However, inelastically, amplitudes of the two solitons have a linear superposition after each interaction which is called as a soliton resonance phenomenon.

The international river interface cooperative: Public domain flow and morphodynamics software for education and applications

NASA Astrophysics Data System (ADS)

Nelson, Jonathan M.; Shimizu, Yasuyuki; Abe, Takaaki; Asahi, Kazutake; Gamou, Mineyuki; Inoue, Takuya; Iwasaki, Toshiki; Kakinuma, Takaharu; Kawamura, Satomi; Kimura, Ichiro; Kyuka, Tomoko; McDonald, Richard R.; Nabi, Mohamed; Nakatsugawa, Makoto; Simões, Francisco R.; Takebayashi, Hiroshi; Watanabe, Yasunori

2016-07-01

This paper describes a new, public-domain interface for modeling flow, sediment transport and morphodynamics in rivers and other geophysical flows. The interface is named after the International River Interface Cooperative (iRIC), the group that constructed the interface and many of the current solvers included in iRIC. The interface is entirely free to any user and currently houses thirteen models ranging from simple one-dimensional models through three-dimensional large-eddy simulation models. Solvers are only loosely coupled to the interface so it is straightforward to modify existing solvers or to introduce other solvers into the system. Six of the most widely-used solvers are described in detail including example calculations to serve as an aid for users choosing what approach might be most appropriate for their own applications. The example calculations range from practical computations of bed evolution in natural rivers to highly detailed predictions of the development of small-scale bedforms on an initially flat bed. The remaining solvers are also briefly described. Although the focus of most solvers is coupled flow and morphodynamics, several of the solvers are also specifically aimed at providing flood inundation predictions over large spatial domains. Potential users can download the application, solvers, manuals, and educational materials including detailed tutorials at www.-i-ric.org. The iRIC development group encourages scientists and engineers to use the tool and to consider adding their own methods to the iRIC suite of tools.

The international river interface cooperative: Public domain flow and morphodynamics software for education and applications

USGS Publications Warehouse

Nelson, Jonathan M.; Shimizu, Yasuyuki; Abe, Takaaki; Asahi, Kazutake; Gamou, Mineyuki; Inoue, Takuya; Iwasaki, Toshiki; Kakinuma, Takaharu; Kawamura, Satomi; Kimura, Ichiro; Kyuka, Tomoko; McDonald, Richard R.; Nabi, Mohamed; Nakatsugawa, Makoto; Simoes, Francisco J.; Takebayashi, Hiroshi; Watanabe, Yasunori

2016-01-01

This paper describes a new, public-domain interface for modeling flow, sediment transport and morphodynamics in rivers and other geophysical flows. The interface is named after the International River Interface Cooperative (iRIC), the group that constructed the interface and many of the current solvers included in iRIC. The interface is entirely free to any user and currently houses thirteen models ranging from simple one-dimensional models through three-dimensional large-eddy simulation models. Solvers are only loosely coupled to the interface so it is straightforward to modify existing solvers or to introduce other solvers into the system. Six of the most widely-used solvers are described in detail including example calculations to serve as an aid for users choosing what approach might be most appropriate for their own applications. The example calculations range from practical computations of bed evolution in natural rivers to highly detailed predictions of the development of small-scale bedforms on an initially flat bed. The remaining solvers are also briefly described. Although the focus of most solvers is coupled flow and morphodynamics, several of the solvers are also specifically aimed at providing flood inundation predictions over large spatial domains. Potential users can download the application, solvers, manuals, and educational materials including detailed tutorials at www.-i-ric.org. The iRIC development group encourages scientists and engineers to use the tool and to consider adding their own methods to the iRIC suite of tools.

Strongly Interacting Fermi Gases In Two Dimensions

DTIC Science & Technology

2012-01-03

Correlated Quantum Fluids: From Ultracold Quantum Gases to QCD Plasmas. Figure 2 Spin Transport in Spin-Imbalanced, strongly interacting...atoms becomes confined to a stack of two-dimensional layers formed by a one-dimensional optical lattice . Decreasing the dimensionality leads to the...opening of a gap in radiofrequency spectra, even on the BCS-side of a Feshbach resonance. With increasing lattice depth, the measured binding energy

Transient and diffusion analysis of HgCdTe

NASA Technical Reports Server (NTRS)

Clayton, J. C.

1982-01-01

Solute redistribution during directional solidification of HgCdTe is addressed. Both one-dimensional and two-dimensional models for solute redistribution are treated and model results compared to experiment. The central problem studied is the cause of radial inhomogeneities found in directionally solidified HgCdTe. A large scale gravity-driven interface instability, termed shape instability, is postulated to be the cause of radial inhomogeneities. Recommendations for future work, along with appropriate computer programs, are included.

Multi-gas interaction modeling on decorated semiconductor interfaces: A novel Fermi distribution-based response isotherm and the inverse hard/soft acid/base concept

NASA Astrophysics Data System (ADS)

Laminack, William; Gole, James

2015-12-01

A unique MEMS/NEMS approach is presented for the modeling of a detection platform for mixed gas interactions. Mixed gas analytes interact with nanostructured decorating metal oxide island sites supported on a microporous silicon substrate. The Inverse Hard/Soft acid/base (IHSAB) concept is used to assess a diversity of conductometric responses for mixed gas interactions as a function of these nanostructured metal oxides. The analyte conductometric responses are well represented using a combination diffusion/absorption-based model for multi-gas interactions where a newly developed response absorption isotherm, based on the Fermi distribution function is applied. A further coupling of this model with the IHSAB concept describes the considerations in modeling of multi-gas mixed analyte-interface, and analyte-analyte interactions. Taking into account the molecular electronic interaction of both the analytes with each other and an extrinsic semiconductor interface we demonstrate how the presence of one gas can enhance or diminish the reversible interaction of a second gas with the extrinsic semiconductor interface. These concepts demonstrate important considerations in the array-based formats for multi-gas sensing and its applications.

High-Performance One-Body Core/Shell Nanowire Supercapacitor Enabled by Conformal Growth of Capacitive 2D WS2 Layers.

PubMed

Choudhary, Nitin; Li, Chao; Chung, Hee-Suk; Moore, Julian; Thomas, Jayan; Jung, Yeonwoong

2016-12-27

Two-dimensional (2D) transition-metal dichalcogenides (TMDs) have emerged as promising capacitive materials for supercapacitor devices owing to their intrinsically layered structure and large surface areas. Hierarchically integrating 2D TMDs with other functional nanomaterials has recently been pursued to improve electrochemical performances; however, it often suffers from limited cyclic stabilities and capacitance losses due to the poor structural integrity at the interfaces of randomly assembled materials. Here, we report high-performance core/shell nanowire supercapacitors based on an array of one-dimensional (1D) nanowires seamlessly integrated with conformal 2D TMD layers. The 1D and 2D supercapacitor components possess "one-body" geometry with atomically sharp and structurally robust core/shell interfaces, as they were spontaneously converted from identical metal current collectors via sequential oxidation/sulfurization. These hybrid supercapacitors outperform previously developed any stand-alone 2D TMD-based supercapacitors; particularly, exhibiting an exceptional charge-discharge retention over 30,000 cycles owing to their structural robustness, suggesting great potential for unconventional energy storage technologies.

Topologically protected bound states in one-dimensional Floquet acoustic waveguide systems

NASA Astrophysics Data System (ADS)

Peng, Yu-Gui; Geng, Zhi-Guo; Zhu, Xue-Feng

2018-03-01

Topological manipulation of sound has recently been a hot spot in acoustics due to the fascinating property of defect immune transport. To the best of our knowledge, the studies on one-dimensional (1D) topological acoustic systems hitherto mainly focus on the case of the Su-Schrieffer-Heeger model. Here, we show that topologically protected bound states may also exist in 1D periodically modulated acoustic waveguide systems, viz., 1D Floquet topological insulators. The results show that tuning the coupling strength in a waveguide lattice could trigger topological phase transition, which gives rise to topologically protected interface states as we put together two waveguide lattices featured with different topological phases or winding numbers. However, for the combined lattice, input at the waveguides other than the interfacial ones will excite bulk states. We have further verified the robustness of interface bound states against the variation of coupling strengths between the two distinct waveguide lattices. This work extends the scope of topological acoustics and may promote potential applications for acoustic devices with topological functionalities.

Effect of a skin-deep surface zone on the formation of a two-dimensional electron gas at a semiconductor surface

NASA Astrophysics Data System (ADS)

Olszowska, Natalia; Lis, Jakub; Ciochon, Piotr; Walczak, Łukasz; Michel, Enrique G.; Kolodziej, Jacek J.

2016-09-01

Two-dimensional electron gases (2DEGs) at surfaces and interfaces of semiconductors are described straightforwardly with a one-dimensional (1D) self-consistent Poisson-Schrödinger scheme. However, their band energies have not been modeled correctly in this way. Using angle-resolved photoelectron spectroscopy we study the band structures of 2DEGs formed at sulfur-passivated surfaces of InAs(001) as a model system. Electronic properties of these surfaces are tuned by changing the S coverage, while keeping a high-quality interface, free of defects and with a constant doping density. In contrast to earlier studies we show that the Poisson-Schrödinger scheme predicts the 2DEG band energies correctly but it is indispensable to take into account the existence of the physical surface. The surface substantially influences the band energies beyond simple electrostatics, by setting nontrivial boundary conditions for 2DEG wave functions.

Cold spray nozzle mach number limitation

NASA Astrophysics Data System (ADS)

Jodoin, B.

2002-12-01

The classic one-dimensional isentropic flow approach is used along with a two-dimensional axisymmetric numerical model to show that the exit Mach number of a cold spray nozzle should be limited due to two factors. To show this, the two-dimensional model is validated with experimental data. Although both models show that the stagnation temperature is an important limiting factor, the one-dimensional approach fails to show how important the shock-particle interactions are at limiting the nozzle Mach number. It is concluded that for an air nozzle spraying solid powder particles, the nozzle Mach number should be set between 1.5 and 3 to limit the negative effects of the high stagnation temperature and of the shock-particle interactions.

Man-systems integration and the man-machine interface

NASA Technical Reports Server (NTRS)

Hale, Joseph P.

1990-01-01

Viewgraphs on man-systems integration and the man-machine interface are presented. Man-systems integration applies the systems' approach to the integration of the user and the machine to form an effective, symbiotic Man-Machine System (MMS). A MMS is a combination of one or more human beings and one or more physical components that are integrated through the common purpose of achieving some objective. The human operator interacts with the system through the Man-Machine Interface (MMI).

Investigation of deformation of elements of three-dimensional reinforced concrete structures located in the soil, interacting with each other through rubber gaskets

NASA Astrophysics Data System (ADS)

Berezhnoi, D. V.; Balafendieva, I. S.; Sachenkov, A. A.; Sekaeva, L. R.

2017-06-01

In work the technique of calculation of elements of three-dimensional reinforced concrete substructures located in a soil, interacting with each other through rubber linings is realized. To describe the interaction of deformable structures with the ground, special “semi-infinite” finite elements are used. A technique has been implemented that allows one to describe the contact interaction of three-dimensional structures by means of a special contact finite element with specific properties. The obtained numerical results are compared with the experimental data, their good agreement is noted.

Three-Dimensional Bioprinting of Oppositely Charged Hydrogels with Super Strong Interface Bonding.

PubMed

Li, Huijun; Tan, Yu Jun; Liu, Sijun; Li, Lin

2018-04-04

A novel strategy to improve the adhesion between printed layers of three-dimensional (3D) printed constructs is developed by exploiting the interaction between two oppositely charged hydrogels. Three anionic hydrogels [alginate, xanthan, and κ-carrageenan (Kca)] and three cationic hydrogels [chitosan, gelatin, and gelatin methacrylate (GelMA)] are chosen to find the optimal combination of two oppositely charged hydrogels for the best 3D printability with strong interface bonding. Rheological properties and printability of the hydrogels, as well as structural integrity of printed constructs in cell culture medium, are studied as functions of polymer concentration and the combination of hydrogels. Kca2 (2 wt % Kca hydrogel) and GelMA10 (10 wt % GelMA hydrogel) are found to be the best combination of oppositely charged hydrogels for 3D printing. The interfacial bonding between a Kca layer and a GelMA layer is proven to be significantly higher than that of the bilayered Kca or bilayered GelMA because of the formation of polyelectrolyte complexes between the oppositely charged hydrogels. A good cell viability of >96% is obtained for the 3D-bioprinted Kca-GelMA construct. This novel strategy has a great potential for 3D bioprinting of layered constructs with a strong interface bonding.

Scale separation for multi-scale modeling of free-surface and two-phase flows with the conservative sharp interface method

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

Han, L.H., E-mail: Luhui.Han@tum.de; Hu, X.Y., E-mail: Xiangyu.Hu@tum.de; Adams, N.A., E-mail: Nikolaus.Adams@tum.de

In this paper we present a scale separation approach for multi-scale modeling of free-surface and two-phase flows with complex interface evolution. By performing a stimulus-response operation on the level-set function representing the interface, separation of resolvable and non-resolvable interface scales is achieved efficiently. Uniform positive and negative shifts of the level-set function are used to determine non-resolvable interface structures. Non-resolved interface structures are separated from the resolved ones and can be treated by a mixing model or a Lagrangian-particle model in order to preserve mass. Resolved interface structures are treated by the conservative sharp-interface model. Since the proposed scale separationmore » approach does not rely on topological information, unlike in previous work, it can be implemented in a straightforward fashion into a given level set based interface model. A number of two- and three-dimensional numerical tests demonstrate that the proposed method is able to cope with complex interface variations accurately and significantly increases robustness against underresolved interface structures.« less

A Steady State and Quasi-Steady Interface Between the Generalized Fluid System Simulation Program and the SINDA/G Thermal Analysis Program

NASA Technical Reports Server (NTRS)

Schallhorn, Paul; Majumdar, Alok; Tiller, Bruce

2001-01-01

A general purpose, one dimensional fluid flow code is currently being interfaced with the thermal analysis program SINDA/G. The flow code, GFSSP, is capable of analyzing steady state and transient flow in a complex network. The flow code is capable of modeling several physical phenomena including compressibility effects, phase changes, body forces (such as gravity and centrifugal) and mixture thermodynamics for multiple species. The addition of GFSSP to SINDA/G provides a significant improvement in convective heat transfer modeling for SINDA/G. The interface development is conducted in multiple phases. This paper describes the first phase of the interface which allows for steady and quasisteady (unsteady solid, steady fluid) conjugate heat transfer modeling.

An Optimization-based Atomistic-to-Continuum Coupling Method

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

Olson, Derek; Bochev, Pavel B.; Luskin, Mitchell

2014-08-21

In this paper, we present a new optimization-based method for atomistic-to-continuum (AtC) coupling. The main idea is to cast the latter as a constrained optimization problem with virtual Dirichlet controls on the interfaces between the atomistic and continuum subdomains. The optimization objective is to minimize the error between the atomistic and continuum solutions on the overlap between the two subdomains, while the atomistic and continuum force balance equations provide the constraints. Separation, rather then blending of the atomistic and continuum problems, and their subsequent use as constraints in the optimization problem distinguishes our approach from the existing AtC formulations. Finally,more » we present and analyze the method in the context of a one-dimensional chain of atoms modeled using a linearized two-body potential with next-nearest neighbor interactions.« less

A voxel visualization and analysis system based on AutoCAD

NASA Astrophysics Data System (ADS)

Marschallinger, Robert

1996-05-01

A collection of AutoLISP programs is presented which enable the visualization and analysis of voxel models by AutoCAD rel. 12/rel. 13. The programs serve as an interactive, graphical front end for manipulating the results of three-dimensional modeling software producing block estimation data. ASCII data files describing geometry and attributes per estimation block are imported and stored as a voxel array. Each voxel may contain multiple attributes, therefore different parameters may be incorporated in one voxel array. Voxel classification is implemented on a layer basis providing flexible treatment of voxel classes such as recoloring, peeling, or volumetry. A versatile clipping tool enables slicing voxel arrays according to combinations of three perpendicular clipping planes. The programs feature an up-to-date, graphical user interface for user-friendly operation by non AutoCAD specialists.

Boosted one dimensional fermionic superfluids on a lattice

NASA Astrophysics Data System (ADS)

Ray, Sayonee; Mukerjee, Subroto; Shenoy, Vijay B.

2017-09-01

We study the effect of a boost (Fermi sea displaced by a finite momentum) on one dimensional systems of lattice fermions with short-ranged interactions. In the absence of a boost such systems with attractive interactions possess algebraic superconducting order. Motivated by physics in higher dimensions, one might naively expect a boost to weaken and ultimately destroy superconductivity. However, we show that for one dimensional systems the effect of the boost can be to strengthen the algebraic superconducting order by making correlation functions fall off more slowly with distance. This phenomenon can manifest in interesting ways, for example, a boost can produce a Luther-Emery phase in a system with both charge and spin gaps by engendering the destruction of the former.

Front surface structured targets for enhancing laser-plasma interactions

NASA Astrophysics Data System (ADS)

Snyder, Joseph; George, Kevin; Ji, Liangliang; Yalamanchili, Sasir; Simonoff, Ethan; Cochran, Ginevra; Daskalova, Rebecca; Poole, Patrick; Willis, Christopher; Lewis, Nathan; Schumacher, Douglass

2016-10-01

We present recent progress made using front surface structured interfaces for enhancing ultrashort, relativistic laser-plasma interactions. Structured targets can increase laser absorption and enhance ion acceleration through a number of mechanisms such as direct laser acceleration and laser guiding. We detail experimental results obtained at the Scarlet laser facility on hollow, micron-scale plasma channels for enhancing electron acceleration. These targets show a greater than three times enhancement in the electron cutoff energy as well as an increased slope temperature for the electron distribution when compared to a flat interface. Using three-dimensional particle-in-cell (PIC) simulations, we have modeled the interaction to give insight into the physical processes responsible for the enhancement. Furthermore, we have used PIC simulations to design structures that are more advantageous for ion acceleration. Such targets necessitate advanced target fabrication methods and we describe techniques used to manufacture optimized structures, including vapor-liquid-solid growth, cryogenic etching, and 3D printing using two-photon-polymerization. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-14-1-0085.

Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid

NASA Astrophysics Data System (ADS)

Wang, Z.; McKeown Walker, S.; Tamai, A.; Wang, Y.; Ristic, Z.; Bruno, F. Y.; de la Torre, A.; Riccò, S.; Plumb, N. C.; Shi, M.; Hlawenka, P.; Sánchez-Barriga, J.; Varykhalov, A.; Kim, T. K.; Hoesch, M.; King, P. D. C.; Meevasana, W.; Diebold, U.; Mesot, J.; Moritz, B.; Devereaux, T. P.; Radovic, M.; Baumberger, F.

2016-08-01

Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

An analytical approach to thermal modeling of Bridgman-type crystal growth. I - One-dimensional analysis

NASA Technical Reports Server (NTRS)

Naumann, R. J.

1982-01-01

A relatively simple one-dimensional thermal model of the Bridgman growth process has been developed which is applicable to the growth of small diameter samples with conductivities similar to those of metallic alloys. The heat flow in a translating rod is analyzed in a way that is applicable to Biot numbers less than unity. The model accommodates an adiabatic zone, different heat transfer coefficients in the hot and cold zones, and changes in sample material properties associated with phase change. The analysis is applied to several simplified cases. The effect of the rod's motion is studied in a three-zone furnace for a rod sufficiently long that end effects can be neglected; end effects are then investigated for a motionless rod. Finally, the addition of a fourth zone, an independently controlled booster heater between the main heater and the adiabatic zone, is evaluated for its ability to increase the gradient in the sample at the melt interface and to control the position of the interface.

Load Balancing Strategies for Multiphase Flows on Structured Grids

NASA Astrophysics Data System (ADS)

Olshefski, Kristopher; Owkes, Mark

2017-11-01

The computation time required to perform large simulations of complex systems is currently one of the leading bottlenecks of computational research. Parallelization allows multiple processing cores to perform calculations simultaneously and reduces computational times. However, load imbalances between processors waste computing resources as processors wait for others to complete imbalanced tasks. In multiphase flows, these imbalances arise due to the additional computational effort required at the gas-liquid interface. However, many current load balancing schemes are only designed for unstructured grid applications. The purpose of this research is to develop a load balancing strategy while maintaining the simplicity of a structured grid. Several approaches are investigated including brute force oversubscription, node oversubscription through Message Passing Interface (MPI) commands, and shared memory load balancing using OpenMP. Each of these strategies are tested with a simple one-dimensional model prior to implementation into the three-dimensional NGA code. Current results show load balancing will reduce computational time by at least 30%.

Three-dimensional rendering of segmented object using matlab - biomed 2010.

PubMed

Anderson, Jeffrey R; Barrett, Steven F

2010-01-01

The three-dimensional rendering of microscopic objects is a difficult and challenging task that often requires specialized image processing techniques. Previous work has been described of a semi-automatic segmentation process of fluorescently stained neurons collected as a sequence of slice images with a confocal laser scanning microscope. Once properly segmented, each individual object can be rendered and studied as a three-dimensional virtual object. This paper describes the work associated with the design and development of Matlab files to create three-dimensional images from the segmented object data previously mentioned. Part of the motivation for this work is to integrate both the segmentation and rendering processes into one software application, providing a seamless transition from the segmentation tasks to the rendering and visualization tasks. Previously these tasks were accomplished on two different computer systems, windows and Linux. This transition basically limits the usefulness of the segmentation and rendering applications to those who have both computer systems readily available. The focus of this work is to create custom Matlab image processing algorithms for object rendering and visualization, and merge these capabilities to the Matlab files that were developed especially for the image segmentation task. The completed Matlab application will contain both the segmentation and rendering processes in a single graphical user interface, or GUI. This process for rendering three-dimensional images in Matlab requires that a sequence of two-dimensional binary images, representing a cross-sectional slice of the object, be reassembled in a 3D space, and covered with a surface. Additional segmented objects can be rendered in the same 3D space. The surface properties of each object can be varied by the user to aid in the study and analysis of the objects. This inter-active process becomes a powerful visual tool to study and understand microscopic objects.

Experimental Modeling of Dynamic Shallow Dip-Slip Faulting

NASA Astrophysics Data System (ADS)

Uenishi, K.

2010-12-01

In our earlier study (AGU 2005, SSJ 2005, JPGU 2006), using a finite difference technique, we have conducted some numerical simulations related to the source dynamics of shallow dip-slip earthquakes, and suggested the possibility of the existence of corner waves, i.e., shear waves that carry concentrated kinematic energy and generate extremely strong particle motions on the hanging wall of a nonvertical fault. In the numerical models, a dip-slip fault is located in a two-dimensional, monolithic linear elastic half space, and the fault plane dips either vertically or 45 degrees. We have investigated the seismic wave field radiated by crack-like rupture of this straight fault. If the fault rupture, initiated at depth, arrests just below or reaches the free surface, four Rayleigh-type pulses are generated: two propagating along the free surface into the opposite directions to the far field, the other two moving back along the ruptured fault surface (interface) downwards into depth. These downward interface pulses may largely control the stopping phase of the dynamic rupture, and in the case the fault plane is inclined, on the hanging wall the interface pulse and the outward-moving Rayleigh surface pulse interact with each other and the corner wave is induced. On the footwall, the ground motion is dominated simply by the weaker Rayleigh pulse propagating along the free surface because of much smaller interaction between this Rayleigh and the interface pulse. The generation of the downward interface pulses and corner wave may play a crucial role in understanding the effects of the geometrical asymmetry on the strong motion induced by shallow dip-slip faulting, but it has not been well recognized so far, partly because those waves are not expected for a fault that is located and ruptures only at depth. However, the seismological recordings of the 1999 Chi-Chi, Taiwan, the 2004 Niigata-ken Chuetsu, Japan, earthquakes as well as a more recent one in Iwate-Miyagi Inland, Japan in 2008, for example, seem to support the need for careful mechanical consideration. In this contribution, utilizing two-dimensional dynamic photoelasticity in conjunction with high speed digital cinematography, we try to perform "fully controlled" laboratory experiments of dip-slip faulting and observe the propagation of interface pulses and corner waves mentioned above. A birefringent material containing a (model) dip-slip fault plane is prepared, and rupture is initiated in that material using an Nd:YAG laser system, and the evolution of time-dependent isochromatic fringe patterns (contours of maximum in-plane shear stress) associated with the dynamic process of shallow dip-slip faulting is recorded. Use of Nd:YAG laser pulses, instead of ignition of explosives, for rupture initiation may enhance the safety of laboratory fracture experiments and enable us to evaluate the energy entering the material (and hence the energy balance in the system) more precisely, possibly in a more controlled way.

Non-equilibrium surface tension of the vapour-liquid interface of active Lennard-Jones particles

NASA Astrophysics Data System (ADS)

Paliwal, Siddharth; Prymidis, Vasileios; Filion, Laura; Dijkstra, Marjolein

2017-08-01

We study a three-dimensional system of self-propelled Brownian particles interacting via the Lennard-Jones potential. Using Brownian dynamics simulations in an elongated simulation box, we investigate the steady states of vapour-liquid phase coexistence of active Lennard-Jones particles with planar interfaces. We measure the normal and tangential components of the pressure tensor along the direction perpendicular to the interface and verify mechanical equilibrium of the two coexisting phases. In addition, we determine the non-equilibrium interfacial tension by integrating the difference of the normal and tangential components of the pressure tensor and show that the surface tension as a function of strength of particle attractions is well fitted by simple power laws. Finally, we measure the interfacial stiffness using capillary wave theory and the equipartition theorem and find a simple linear relation between surface tension and interfacial stiffness with a proportionality constant characterized by an effective temperature.

Correlated diffusion of colloidal particles near a liquid-liquid interface.

PubMed

Zhang, Wei; Chen, Song; Li, Na; Zhang, Jia Zheng; Chen, Wei

2014-01-01

Optical microscopy and multi-particle tracking are used to investigate the cross-correlated diffusion of quasi two-dimensional colloidal particles near an oil-water interface. The behaviors of the correlated diffusion along longitudinal and transverse direction are asymmetric. It is shown that the characteristic length for longitudinal and transverse correlated diffusion are particle diameter d and the distance z from particle center to the interface, respectively, for large particle separation z. The longitudinal and transverse correlated diffusion coefficient D||(r) and D[perpendicular](r) are independent of the colloidal area fraction n when n < 0.3, which indicates that the hydrodynamic interactions(HIs) among the particles are dominated by HIs through the surrounding fluid for small n. For high area fraction n > 0.4 the power law exponent for the spatial decay of [Formula: see text] begins to decrease, which suggests the HIs are more contributed from the 2D particle monolayer self for large n.

How interfaces affect hydrophobically driven polymer folding.

PubMed

Jamadagni, Sumanth N; Godawat, Rahul; Dordick, Jonathan S; Garde, Shekhar

2009-04-02

Studies of folding-unfolding of hydrophobic polymers in water provide an excellent starting point to probe manybody hydrophobic interactions in the context of realistic self-assembly processes. Such studies in bulk water have highlighted the similarities between thermodynamics of polymer collapse and of protein folding, and emphasized the role of hydration-water structure, density, and fluctuations-in the folding kinetics. Hydrophobic polymers are interfacially active-that is, they prefer locations at aqueous interfaces relative to bulk water-consistent with their low solubility. How does the presence of a hydrophobic solid surface or an essentially hydrophobic vapor-water interface affect the structural, thermodynamic, and kinetic aspects of polymer folding? Using extensive molecular dynamics simulations, we show that the large hydrophobic driving force for polymer collapse in bulk water is reduced at a solid alkane-water interface and further reduced at a vapor-water interface. As a result, at the solid-water interface, folded structures are marginally stable, whereas the vapor-liquid interface unfolds polymers completely. Structural sampling is also significantly affected by the interface. For example, at the solid-water interface, polymer conformations are quasi-2- dimensional, with folded states being pancake-like structures. At the vapor-water interface, the hydrophobic polymer is significantly excluded from the water phase and freely samples a broad range of compact to extended structures. Interestingly, although the driving force for folding is considerably lower, kinetics of folding are faster at both interfaces, highlighting the role of enhanced water fluctuations and dynamics at a hydrophobic interface.

Mixed-mode fracture mechanics parameters of elliptical interface cracks in anisotropic bimaterials

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

Xue, Y.; Qu, J.

1999-07-01

Two-dimensional interface cracks in anisotropic bimaterials have been studied extensively in the literature. However, solutions to three-dimensional interface cracks in anisotropic bimaterials are not available, except for circular (penny-shaped) cracks. In this paper, an elliptical crack on the interface between two anisotropic elastic half-spaces is considered. A formal solution is obtained by using the Stroh method in two dimensional elasticity in conjunction with the Fourier transform method. To illustrate the solution procedure, an elliptical delamination in a cross-ply composite is solved. Numerical results of the stress intensity factors and energy release rate along the crack front are obtained terms ofmore » the interfacial matrix M. It is found that the fields near the crack front are often in mixed mode, due to material anisotropy and the three dimensional nature of the crack front.« less

Development of human nervous tissue upon differentiation of embryonic stem cells in three-dimensional culture.

PubMed

Preynat-Seauve, Olivier; Suter, David M; Tirefort, Diderik; Turchi, Laurent; Virolle, Thierry; Chneiweiss, Herve; Foti, Michelangelo; Lobrinus, Johannes-Alexander; Stoppini, Luc; Feki, Anis; Dubois-Dauphin, Michel; Krause, Karl Heinz

2009-03-01

Researches on neural differentiation using embryonic stem cells (ESC) require analysis of neurogenesis in conditions mimicking physiological cellular interactions as closely as possible. In this study, we report an air-liquid interface-based culture of human ESC. This culture system allows three-dimensional cell expansion and neural differentiation in the absence of added growth factors. Over a 3-month period, a macroscopically visible, compact tissue developed. Histological coloration revealed a dense neural-like neural tissue including immature tubular structures. Electron microscopy, immunochemistry, and electrophysiological recordings demonstrated a dense network of neurons, astrocytes, and oligodendrocytes able to propagate signals. Within this tissue, tubular structures were niches of cells resembling germinal layers of human fetal brain. Indeed, the tissue contained abundant proliferating cells expressing markers of neural progenitors. Finally, the capacity to generate neural tissues on air-liquid interface differed for different ESC lines, confirming variations of their neurogenic potential. In conclusion, this study demonstrates in vitro engineering of a human neural-like tissue with an organization that bears resemblance to early developing brain. As opposed to previously described methods, this differentiation (a) allows three-dimensional organization, (b) yields dense interconnected neural tissue with structurally and functionally distinct areas, and (c) is spontaneously guided by endogenous developmental cues.

Chemozart: a web-based 3D molecular structure editor and visualizer platform.

PubMed

Mohebifar, Mohamad; Sajadi, Fatemehsadat

2015-01-01

Chemozart is a 3D Molecule editor and visualizer built on top of native web components. It offers an easy to access service, user-friendly graphical interface and modular design. It is a client centric web application which communicates with the server via a representational state transfer style web service. Both client-side and server-side application are written in JavaScript. A combination of JavaScript and HTML is used to draw three-dimensional structures of molecules. With the help of WebGL, three-dimensional visualization tool is provided. Using CSS3 and HTML5, a user-friendly interface is composed. More than 30 packages are used to compose this application which adds enough flexibility to it to be extended. Molecule structures can be drawn on all types of platforms and is compatible with mobile devices. No installation is required in order to use this application and it can be accessed through the internet. This application can be extended on both server-side and client-side by implementing modules in JavaScript. Molecular compounds are drawn on the HTML5 Canvas element using WebGL context. Chemozart is a chemical platform which is powerful, flexible, and easy to access. It provides an online web-based tool used for chemical visualization along with result oriented optimization for cloud based API (application programming interface). JavaScript libraries which allow creation of web pages containing interactive three-dimensional molecular structures has also been made available. The application has been released under Apache 2 License and is available from the project website https://chemozart.com.

Helix-packing motifs in membrane proteins.

PubMed

Walters, R F S; DeGrado, W F

2006-09-12

The fold of a helical membrane protein is largely determined by interactions between membrane-imbedded helices. To elucidate recurring helix-helix interaction motifs, we dissected the crystallographic structures of membrane proteins into a library of interacting helical pairs. The pairs were clustered according to their three-dimensional similarity (rmsd

Human-scale interaction for virtual model displays: a clear case for real tools

NASA Astrophysics Data System (ADS)

Williams, George C.; McDowall, Ian E.; Bolas, Mark T.

1998-04-01

We describe a hand-held user interface for interacting with virtual environments displayed on a Virtual Model Display. The tool, constructed entirely of transparent materials, is see-through. We render a graphical counterpart of the tool on the display and map it one-to-one with the real tool. This feature, combined with a capability for touch- sensitive, discrete input, results in a useful spatial input device that is visually versatile. We discuss the tool's design and interaction techniques it supports. Briefly, we look at the human factors issues and engineering challenges presented by this tool and, in general, by the class of hand-held user interfaces that are see-through.

Global Aeroheating Measurements of Shock-Shock Interactions on a Swept Cylinder

NASA Technical Reports Server (NTRS)

Mason, Michelle L.; Berry, Scott A.

2015-01-01

The effects of fin leading-edge radius and sweep angle on peak heating rates due to shock-shock interactions were investigated in the NASA Langley Research Center 20-Inch Mach 6 Air Tunnel. The cylindrical leading-edge fin models, with radii varied from 0.25 to 0.75 inches, represent wings or struts on hypersonic vehicles. A 9deg wedge generated a planar oblique shock at 16.7deg. to the flow that intersected the fin bow shock, producing a shock-shock interaction that impinged on the fin leading edge. The fin sweep angle was varied from 0deg (normal to the free-stream) to 15deg and 25deg swept forward. These cases were chosen to explore three characterized shock-shock interaction types. Global temperature data were obtained from the surface of the fused silica fins using phosphor thermography. Metal oil flow models with the same geometries as the fused silica models were used to visualize the streamline patterns for each angle of attack. High-speed zoom-schlieren videos were recorded to show the features and any temporal unsteadiness of the shock-shock interactions. The temperature data were analyzed using a one-dimensional semi-infinite method, as well as one- and two-dimensional finite-volume methods. These results were compared to determine the proper heat transfer analysis approach to minimize errors from lateral heat conduction due to the presence of strong surface temperature gradients induced by the shock interactions. The general trends in the leading-edge heat transfer behavior were similar for each explored shock-shock interaction type regardless of the leading-edge radius. However, the dimensional peak heat transfer coefficient augmentation increased with decreasing leading-edge radius. The dimensional peak heat transfer output from the two-dimensional code was about 20% higher than the value from a standard, semi-infinite one-dimensional method.

Macroscopic Lagrangian description of warm plasmas. II Nonlinear wave interactions

NASA Technical Reports Server (NTRS)

Kim, H.; Crawford, F. W.

1983-01-01

A macroscopic Lagrangian is simplified to the adiabatic limit and expanded about equilibrium, to third order in perturbation, for three illustrative cases: one-dimensional compression parallel to the static magnetic field, two-dimensional compression perpendicular to the static magnetic field, and three-dimensional compression. As examples of the averaged-Lagrangian method applied to nonlinear wave interactions, coupling coefficients are derived for interactions between two electron plasma waves and an ion acoustic wave, and between an ordinary wave, an electron plasma wave, and an ion acoustic wave.

Quadcopter control in three-dimensional space using a noninvasive motor imagery-based brain-computer interface

NASA Astrophysics Data System (ADS)

LaFleur, Karl; Cassady, Kaitlin; Doud, Alexander; Shades, Kaleb; Rogin, Eitan; He, Bin

2013-08-01

Objective. At the balanced intersection of human and machine adaptation is found the optimally functioning brain-computer interface (BCI). In this study, we report a novel experiment of BCI controlling a robotic quadcopter in three-dimensional (3D) physical space using noninvasive scalp electroencephalogram (EEG) in human subjects. We then quantify the performance of this system using metrics suitable for asynchronous BCI. Lastly, we examine the impact that the operation of a real world device has on subjects' control in comparison to a 2D virtual cursor task. Approach. Five human subjects were trained to modulate their sensorimotor rhythms to control an AR Drone navigating a 3D physical space. Visual feedback was provided via a forward facing camera on the hull of the drone. Main results. Individual subjects were able to accurately acquire up to 90.5% of all valid targets presented while travelling at an average straight-line speed of 0.69 m s-1. Significance. Freely exploring and interacting with the world around us is a crucial element of autonomy that is lost in the context of neurodegenerative disease. Brain-computer interfaces are systems that aim to restore or enhance a user's ability to interact with the environment via a computer and through the use of only thought. We demonstrate for the first time the ability to control a flying robot in 3D physical space using noninvasive scalp recorded EEG in humans. Our work indicates the potential of noninvasive EEG-based BCI systems for accomplish complex control in 3D physical space. The present study may serve as a framework for the investigation of multidimensional noninvasive BCI control in a physical environment using telepresence robotics.

Nanoparticles in liquid crystals, and liquid crystals in nanoparticles

NASA Astrophysics Data System (ADS)

de Pablo, Juan

2015-03-01

Liquid crystals are remarkably sensitive to interfacial interactions. Small perturbations at a liquid crystal interface, for example, can be propagated over relatively long length scales, thereby providing the basis for a wide range of applications that rely on amplification of molecular events into macroscopic observables. Our recent research efforts have focused on the reverse phenomenon; that is, we have sought to manipulate the interfacial assembly of nanoparticles or the organization of surface active molecules by controlling the structure of a liquid crystal. This presentation will consist of a review of the basic principles that are responsible for liquid crystal-mediated interactions, followed by demonstrations of those principles in the context of two types of systems. In the first, a liquid crystal is used to direct the assembly of nanoparticles; through a combination of molecular and continuum models, it is found that minute changes in interfacial energy and particle size lead to liquid-crystal induced attractions that can span multiple orders of magnitude. Theoretical predictions are confirmed by experimental observations, which also suggest that LC-mediated assembly provides an effective means for fabrication of plasmonic devices. In the second type of system, the structure of a liquid crystal is controlled by confinement in submicron droplets. The morphology of the liquid crystal in a drop depends on a delicate balance between bulk and interfacial contributions to the free energy; that balance can be easily perturbed by adsorption of analytes or nanoparticles at the interface, thereby providing the basis for development of hierarchical assembly of responsive, anisotropic materials. Theoretical predictions also indicate that the three-dimensional order of a liquid crystal can be projected onto a two-dimensional interface, and give rise to novel nanostructures that are not found in simple isotropic fluids.

Quadcopter control in three-dimensional space using a noninvasive motor imagery-based brain-computer interface.

PubMed

LaFleur, Karl; Cassady, Kaitlin; Doud, Alexander; Shades, Kaleb; Rogin, Eitan; He, Bin

2013-08-01

At the balanced intersection of human and machine adaptation is found the optimally functioning brain-computer interface (BCI). In this study, we report a novel experiment of BCI controlling a robotic quadcopter in three-dimensional (3D) physical space using noninvasive scalp electroencephalogram (EEG) in human subjects. We then quantify the performance of this system using metrics suitable for asynchronous BCI. Lastly, we examine the impact that the operation of a real world device has on subjects' control in comparison to a 2D virtual cursor task. Five human subjects were trained to modulate their sensorimotor rhythms to control an AR Drone navigating a 3D physical space. Visual feedback was provided via a forward facing camera on the hull of the drone. Individual subjects were able to accurately acquire up to 90.5% of all valid targets presented while travelling at an average straight-line speed of 0.69 m s(-1). Freely exploring and interacting with the world around us is a crucial element of autonomy that is lost in the context of neurodegenerative disease. Brain-computer interfaces are systems that aim to restore or enhance a user's ability to interact with the environment via a computer and through the use of only thought. We demonstrate for the first time the ability to control a flying robot in 3D physical space using noninvasive scalp recorded EEG in humans. Our work indicates the potential of noninvasive EEG-based BCI systems for accomplish complex control in 3D physical space. The present study may serve as a framework for the investigation of multidimensional noninvasive BCI control in a physical environment using telepresence robotics.

Two-dimensional patterns in bacterial veils arise from self-generated, three-dimensional fluid flows.

PubMed

Cogan, N G; Wolgemuth, C W

2011-01-01

The behavior of collections of oceanic bacteria is controlled by metabolic (chemotaxis) and physical (fluid motion) processes. Some sulfur-oxidizing bacteria, such as Thiovulum majus, unite these two processes via a material interface produced by the bacteria and upon which the bacteria are transiently attached. This interface, termed a bacterial veil, is formed by exo-polymeric substances (EPS) produced by the bacteria. By adhering to the veil while continuing to rotate their flagella, the bacteria are able to exert force on the fluid surroundings. This behavior induces a fluid flow that, in turn, causes the bacteria to aggregate leading to the formation of a physical pattern in the veil. These striking patterns are very similar in flavor to the classic convection instability observed when a shallow fluid is heated from below. However, the physics are very different since the flow around the veil is mediated by the bacteria and affects the bacterial densities. In this study, we extend a model of a one-dimensional veil in a two-dimensional fluid to the more realistic two-dimensional veil in a three-dimensional fluid. The linear stability analysis indicates that the Peclet number serves as a bifurcation parameter, which is consistent with experimental observations. We also solve the nonlinear problem numerically and are able to obtain patterns that are similar to those observed in the experiments.

Diffusion-limited aggregation in two dimensions

NASA Astrophysics Data System (ADS)

Hurd, Alan J.; Schaefer, Dale W.

1985-03-01

We have studied the aggregation of silica microspheres confined to two dimensions at an air-water interface. Under microscopic observation, both monomers and clusters are seen to aggregate by a diffusion-limited process. The clusters' fractal dimension is 1.20+/-0.15, smaller than values obtained from current models of aggregation. We propose that anisotropic repulsive interactions account for the low dimensionality by more effectively repelling particles from the side of an existing dendrite than from the end.

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

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

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

DOE PAGES

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; ...

2015-03-11

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

End-to-end interoperability and workflows from building architecture design to one or more simulations

DOEpatents

Chao, Tian-Jy; Kim, Younghun

2015-02-10

An end-to-end interoperability and workflows from building architecture design to one or more simulations, in one aspect, may comprise establishing a BIM enablement platform architecture. A data model defines data entities and entity relationships for enabling the interoperability and workflows. A data definition language may be implemented that defines and creates a table schema of a database associated with the data model. Data management services and/or application programming interfaces may be implemented for interacting with the data model. Web services may also be provided for interacting with the data model via the Web. A user interface may be implemented that communicates with users and uses the BIM enablement platform architecture, the data model, the data definition language, data management services and application programming interfaces to provide functions to the users to perform work related to building information management.

DataHigh: Graphical user interface for visualizing and interacting with high-dimensional neural activity

PubMed Central

Cowley, Benjamin R.; Kaufman, Matthew T.; Butler, Zachary S.; Churchland, Mark M.; Ryu, Stephen I.; Shenoy, Krishna V.; Yu, Byron M.

2014-01-01

Objective Analyzing and interpreting the activity of a heterogeneous population of neurons can be challenging, especially as the number of neurons, experimental trials, and experimental conditions increases. One approach is to extract a set of latent variables that succinctly captures the prominent co-fluctuation patterns across the neural population. A key problem is that the number of latent variables needed to adequately describe the population activity is often greater than three, thereby preventing direct visualization of the latent space. By visualizing a small number of 2-d projections of the latent space or each latent variable individually, it is easy to miss salient features of the population activity. Approach To address this limitation, we developed a Matlab graphical user interface (called DataHigh) that allows the user to quickly and smoothly navigate through a continuum of different 2-d projections of the latent space. We also implemented a suite of additional visualization tools (including playing out population activity timecourses as a movie and displaying summary statistics, such as covariance ellipses and average timecourses) and an optional tool for performing dimensionality reduction. Main results To demonstrate the utility and versatility of DataHigh, we used it to analyze single-trial spike count and single-trial timecourse population activity recorded using a multi-electrode array, as well as trial-averaged population activity recorded using single electrodes. Significance DataHigh was developed to fulfill a need for visualization in exploratory neural data analysis, which can provide intuition that is critical for building scientific hypotheses and models of population activity. PMID:24216250

DataHigh: graphical user interface for visualizing and interacting with high-dimensional neural activity

NASA Astrophysics Data System (ADS)

Cowley, Benjamin R.; Kaufman, Matthew T.; Butler, Zachary S.; Churchland, Mark M.; Ryu, Stephen I.; Shenoy, Krishna V.; Yu, Byron M.

2013-12-01

Objective. Analyzing and interpreting the activity of a heterogeneous population of neurons can be challenging, especially as the number of neurons, experimental trials, and experimental conditions increases. One approach is to extract a set of latent variables that succinctly captures the prominent co-fluctuation patterns across the neural population. A key problem is that the number of latent variables needed to adequately describe the population activity is often greater than 3, thereby preventing direct visualization of the latent space. By visualizing a small number of 2-d projections of the latent space or each latent variable individually, it is easy to miss salient features of the population activity. Approach. To address this limitation, we developed a Matlab graphical user interface (called DataHigh) that allows the user to quickly and smoothly navigate through a continuum of different 2-d projections of the latent space. We also implemented a suite of additional visualization tools (including playing out population activity timecourses as a movie and displaying summary statistics, such as covariance ellipses and average timecourses) and an optional tool for performing dimensionality reduction. Main results. To demonstrate the utility and versatility of DataHigh, we used it to analyze single-trial spike count and single-trial timecourse population activity recorded using a multi-electrode array, as well as trial-averaged population activity recorded using single electrodes. Significance. DataHigh was developed to fulfil a need for visualization in exploratory neural data analysis, which can provide intuition that is critical for building scientific hypotheses and models of population activity.

DataHigh: graphical user interface for visualizing and interacting with high-dimensional neural activity.

PubMed

Cowley, Benjamin R; Kaufman, Matthew T; Butler, Zachary S; Churchland, Mark M; Ryu, Stephen I; Shenoy, Krishna V; Yu, Byron M

2013-12-01

Analyzing and interpreting the activity of a heterogeneous population of neurons can be challenging, especially as the number of neurons, experimental trials, and experimental conditions increases. One approach is to extract a set of latent variables that succinctly captures the prominent co-fluctuation patterns across the neural population. A key problem is that the number of latent variables needed to adequately describe the population activity is often greater than 3, thereby preventing direct visualization of the latent space. By visualizing a small number of 2-d projections of the latent space or each latent variable individually, it is easy to miss salient features of the population activity. To address this limitation, we developed a Matlab graphical user interface (called DataHigh) that allows the user to quickly and smoothly navigate through a continuum of different 2-d projections of the latent space. We also implemented a suite of additional visualization tools (including playing out population activity timecourses as a movie and displaying summary statistics, such as covariance ellipses and average timecourses) and an optional tool for performing dimensionality reduction. To demonstrate the utility and versatility of DataHigh, we used it to analyze single-trial spike count and single-trial timecourse population activity recorded using a multi-electrode array, as well as trial-averaged population activity recorded using single electrodes. DataHigh was developed to fulfil a need for visualization in exploratory neural data analysis, which can provide intuition that is critical for building scientific hypotheses and models of population activity.

Three-dimensional structural imaging of starch granules by second-harmonic generation circular dichroism.

PubMed

Zhuo, G-Y; Lee, H; Hsu, K-J; Huttunen, M J; Kauranen, M; Lin, Y-Y; Chu, S-W

2014-03-01

Chirality is one of the most fundamental and essential structural properties of biological molecules. Many important biological molecules including amino acids and polysaccharides are intrinsically chiral. Conventionally, chiral species can be distinguished by interaction with circularly polarized light, and circular dichroism is one of the best-known approaches for chirality detection. As a linear optical process, circular dichroism suffers from very low signal contrast and lack of spatial resolution in the axial direction. It has been demonstrated that by incorporating nonlinear interaction with circularly polarized excitation, second-harmonic generation circular dichroism can provide much higher signal contrast. However, previous circular dichroism and second-harmonic generation circular dichroism studies are mostly limited to probe chiralities at surfaces and interfaces. It is known that second-harmonic generation, as a second-order nonlinear optical effect, provides excellent optical sectioning capability when combined with a laser-scanning microscope. In this work, we combine the axial resolving power of second-harmonic generation and chiral sensitivity of second-harmonic generation circular dichroism to realize three-dimensional chiral detection in biological tissues. Within the point spread function of a tight focus, second-harmonic generation circular dichroism could arise from the macroscopic supramolecular packing as well as the microscopic intramolecular chirality, so our aim is to clarify the origins of second-harmonic generation circular dichroism response in complicated three-dimensional biological systems. The sample we use is starch granules whose second-harmonic generation-active molecules are amylopectin with both microscopic chirality due to its helical structure and macroscopic chirality due to its crystallized packing. We found that in a starch granule, the second-harmonic generation for right-handed circularly polarized excitation is significantly different from second-harmonic generation for left-handed one, offering excellent second-harmonic generation circular dichroism contrast that approaches 100%. In addition, three-dimensional visualization of second-harmonic generation circular dichroism distribution with sub-micrometer spatial resolution is realized. We observed second-harmonic generation circular dichroism sign change across the starch granules, and the result suggests that in thick biological tissue, second-harmonic generation circular dichroism arises from macroscopic molecular packing. Our result provides a new method to visualize the organization of three-dimensional structures of starch granules. The second-harmonic generation circular dichroism imaging method expands the horizon of nonlinear chiroptical studies from simplified surface/solution environments to complicated biological tissues. © 2014 The Authors Journal of Microscopy © 2014 Royal Microscopical Society.

Shadow-driven 4D haptic visualization.

PubMed

Zhang, Hui; Hanson, Andrew

2007-01-01

Just as we can work with two-dimensional floor plans to communicate 3D architectural design, we can exploit reduced-dimension shadows to manipulate the higher-dimensional objects generating the shadows. In particular, by taking advantage of physically reactive 3D shadow-space controllers, we can transform the task of interacting with 4D objects to a new level of physical reality. We begin with a teaching tool that uses 2D knot diagrams to manipulate the geometry of 3D mathematical knots via their projections; our unique 2D haptic interface allows the user to become familiar with sketching, editing, exploration, and manipulation of 3D knots rendered as projected imageson a 2D shadow space. By combining graphics and collision-sensing haptics, we can enhance the 2D shadow-driven editing protocol to successfully leverage 2D pen-and-paper or blackboard skills. Building on the reduced-dimension 2D editing tool for manipulating 3D shapes, we develop the natural analogy to produce a reduced-dimension 3D tool for manipulating 4D shapes. By physically modeling the correct properties of 4D surfaces, their bending forces, and their collisions in the 3D haptic controller interface, we can support full-featured physical exploration of 4D mathematical objects in a manner that is otherwise far beyond the experience accessible to human beings. As far as we are aware, this paper reports the first interactive system with force-feedback that provides "4D haptic visualization" permitting the user to model and interact with 4D cloth-like objects.

Variance-based interaction index measuring heteroscedasticity

NASA Astrophysics Data System (ADS)

Ito, Keiichi; Couckuyt, Ivo; Poles, Silvia; Dhaene, Tom

2016-06-01

This work is motivated by the need to deal with models with high-dimensional input spaces of real variables. One way to tackle high-dimensional problems is to identify interaction or non-interaction among input parameters. We propose a new variance-based sensitivity interaction index that can detect and quantify interactions among the input variables of mathematical functions and computer simulations. The computation is very similar to first-order sensitivity indices by Sobol'. The proposed interaction index can quantify the relative importance of input variables in interaction. Furthermore, detection of non-interaction for screening can be done with as low as 4 n + 2 function evaluations, where n is the number of input variables. Using the interaction indices based on heteroscedasticity, the original function may be decomposed into a set of lower dimensional functions which may then be analyzed separately.

Hot Electrons Regain Coherence in Semiconducting Nanowires

NASA Astrophysics Data System (ADS)

Reiner, Jonathan; Nayak, Abhay Kumar; Avraham, Nurit; Norris, Andrew; Yan, Binghai; Fulga, Ion Cosma; Kang, Jung-Hyun; Karzig, Toesten; Shtrikman, Hadas; Beidenkopf, Haim

2017-04-01

The higher the energy of a particle is above equilibrium, the faster it relaxes because of the growing phase space of available electronic states it can interact with. In the relaxation process, phase coherence is lost, thus limiting high-energy quantum control and manipulation. In one-dimensional systems, high relaxation rates are expected to destabilize electronic quasiparticles. Here, we show that the decoherence induced by relaxation of hot electrons in one-dimensional semiconducting nanowires evolves nonmonotonically with energy such that above a certain threshold hot electrons regain stability with increasing energy. We directly observe this phenomenon by visualizing, for the first time, the interference patterns of the quasi-one-dimensional electrons using scanning tunneling microscopy. We visualize the phase coherence length of the one-dimensional electrons, as well as their phase coherence time, captured by crystallographic Fabry-Pèrot resonators. A remarkable agreement with a theoretical model reveals that the nonmonotonic behavior is driven by the unique manner in which one-dimensional hot electrons interact with the cold electrons occupying the Fermi sea. This newly discovered relaxation profile suggests a high-energy regime for operating quantum applications that necessitate extended coherence or long thermalization times, and may stabilize electronic quasiparticles in one dimension.

The process of co-creating the interface for VENSTER, an interactive artwork for nursing home residents with dementia.

PubMed

Jamin, Gaston; Luyten, Tom; Delsing, Rob; Braun, Susy

2017-10-17

Interactive art installations might engage nursing home residents with dementia. The main aim of this article was to describe the challenging design process of an interactive artwork for nursing home residents, in co-creation with all stakeholders and to share the used methods and lessons learned. This process is illustrated by the design of the interface of VENSTER as a case. Nursing home residents from the psychogeriatric ward, informal caregivers, client representatives, health care professionals and members of the management team were involved in the design process, which consisted of three phases: (1) identify requirements, (2) develop a prototype and (3) conduct usability tests. Several methods were used (e.g. guided co-creation sessions, "Wizard of Oz"). Each phase generated "lessons learned", which were used as the departure point of the next phase. Participants hardly paid attention to the installation and interface. There, however, seemed to be an untapped potential for creating an immersive experience by focussing more on the content itself as an interface (e.g. creating specific scenes with cues for interaction, scenes based on existing knowledge or prior experiences). "Fifteen lessons learned" which can potentially assist the design of an interactive artwork for nursing home residents suffering from dementia were derived from the design process. This description provides tools and best practices for stakeholders to make (better) informed choices during the creation of interactive artworks. It also illustrates how co-design can make the difference between designing a pleasurable experience and a meaningful one. Implications for rehabilitation Co-design with all stakeholders can make the difference between designing a pleasurable experience and a meaningful one. There seems to be an untapped potential for creating an immersive experience by focussing more on the content itself as an interface (e.g. creating specific scenes with cues for interaction, scenes based on existing knowledge or prior experiences). Content as an interface proved to be a crucial part of the overall user experience. The case-study provides tools and best practices (15 "lessons learned") for stakeholders to make (better) informed choices during the creation of interactive artworks.

Entanglement entropy in a one-dimensional disordered interacting system: the role of localization.

PubMed

Berkovits, Richard

2012-04-27

The properties of the entanglement entropy (EE) in one-dimensional disordered interacting systems are studied. Anderson localization leaves a clear signature on the average EE, as it saturates on the length scale exceeding the localization length. This is verified by numerically calculating the EE for an ensemble of disordered realizations using the density matrix renormalization group method. A heuristic expression describing the dependence of the EE on the localization length, which takes into account finite-size effects, is proposed. This is used to extract the localization length as a function of the interaction strength. The localization length dependence on the interaction fits nicely with the expectations.

Four principles for user interface design of computerised clinical decision support systems.

PubMed

Kanstrup, Anne Marie; Christiansen, Marion Berg; Nøhr, Christian

2011-01-01

The paper presents results from a design research project of a user interface (UI) for a Computerised Clinical Decision Support System (CDSS). The ambition has been to design Human-Computer Interaction (HCI) that can minimise medication errors. Through an iterative design process a digital prototype for prescription of medicine has been developed. This paper presents results from the formative evaluation of the prototype conducted in a simulation laboratory with ten participating physicians. Data from the simulation is analysed by use of theory on how users perceive information. The conclusion is a model, which sum up four principles of interaction for design of CDSS. The four principles for design of user interfaces for CDSS are summarised as four A's: All in one, At a glance, At hand and Attention. The model emphasises integration of all four interaction principles in the design of user interfaces for CDSS, i.e. the model is an integrated model which we suggest as a guide for interaction design when working with preventing medication errors.

Computer systems and methods for the query and visualization of multidimensional databases

DOEpatents

Stolte, Chris; Tang, Diane L; Hanrahan, Patrick

2014-04-29

In response to a user request, a computer generates a graphical user interface on a computer display. A schema information region of the graphical user interface includes multiple operand names, each operand name associated with one or more fields of a multi-dimensional database. A data visualization region of the graphical user interface includes multiple shelves. Upon detecting a user selection of the operand names and a user request to associate each user-selected operand name with a respective shelf in the data visualization region, the computer generates a visual table in the data visualization region in accordance with the associations between the operand names and the corresponding shelves. The visual table includes a plurality of panes, each pane having at least one axis defined based on data for the fields associated with a respective operand name.

Computer systems and methods for the query and visualization of multidimensional databases

DOEpatents

Stolte, Chris [Palo Alto, CA; Tang, Diane L [Palo Alto, CA; Hanrahan, Patrick [Portola Valley, CA

2011-02-01

In response to a user request, a computer generates a graphical user interface on a computer display. A schema information region of the graphical user interface includes multiple operand names, each operand name associated with one or more fields of a multi-dimensional database. A data visualization region of the graphical user interface includes multiple shelves. Upon detecting a user selection of the operand names and a user request to associate each user-selected operand name with a respective shelf in the data visualization region, the computer generates a visual table in the data visualization region in accordance with the associations between the operand names and the corresponding shelves. The visual table includes a plurality of panes, each pane having at least one axis defined based on data for the fields associated with a respective operand name.

Computer systems and methods for the query and visualization of multidimensional databases

DOEpatents

Stolte, Chris [Palo Alto, CA; Tang, Diane L [Palo Alto, CA; Hanrahan, Patrick [Portola Valley, CA

2012-03-20

In response to a user request, a computer generates a graphical user interface on a computer display. A schema information region of the graphical user interface includes multiple operand names, each operand name associated with one or more fields of a multi-dimensional database. A data visualization region of the graphical user interface includes multiple shelves. Upon detecting a user selection of the operand names and a user request to associate each user-selected operand name with a respective shelf in the data visualization region, the computer generates a visual table in the data visualization region in accordance with the associations between the operand names and the corresponding shelves. The visual table includes a plurality of panes, each pane having at least one axis defined based on data for the fields associated with a respective operand name.

Numerical modeling of crystal growth in Bridgman device

NASA Astrophysics Data System (ADS)

Vompe, Dmitry Aleksandrovich

1997-12-01

The standard model for the growth of a crystal from a pure substance or diluted binary mixture contains transport equations for heat and phase change conditions at the solidification front. A numerical method is constructed for simulations of crystal growth in a vertical Bridgman device. The method is based on a boundary fitting technique in which melted and solidified regions are mapped onto a fixed rectangular logical domain. The Alternating Directions scheme (ADI) is used to treat the diffusive terms implicitly, with explicit methods are used for the remaining terms in the mapped temperature equations with variable coefficients. The nonlinear equation for the solid/liquid interface motion is solved by the modified Euler technique. Results obtained from the calculations have been used to study the influence of various boundary conditions imposed on the sidewalls and the top and bottom of the ampoule. Conditions are identified that lead to a steadily growing crystal and results are compared with an asymptotic one- dimensional model. Criteria based on ampoule length and boundary conditions being derived and compared with a previously developed one-dimensional model. Various cases have been considered to determine conditions for maintaining a nearly flat interface. It was found that the interface amplitude can be decreased by a factor of 100 (even 1,000) by optimizing temperature boundary conditions.

Using high-resolution displays for high-resolution cardiac data.

PubMed

Goodyer, Christopher; Hodrien, John; Wood, Jason; Kohl, Peter; Brodlie, Ken

2009-07-13

The ability to perform fast, accurate, high-resolution visualization is fundamental to improving our understanding of anatomical data. As the volumes of data increase from improvements in scanning technology, the methods applied to visualization must evolve. In this paper, we address the interactive display of data from high-resolution magnetic resonance imaging scanning of a rabbit heart and subsequent histological imaging. We describe a visualization environment involving a tiled liquid crystal display panel display wall and associated software, which provides an interactive and intuitive user interface. The oView software is an OpenGL application that is written for the VR Juggler environment. This environment abstracts displays and devices away from the application itself, aiding portability between different systems, from desktop PCs to multi-tiled display walls. Portability between display walls has been demonstrated through its use on walls at the universities of both Leeds and Oxford. We discuss important factors to be considered for interactive two-dimensional display of large three-dimensional datasets, including the use of intuitive input devices and level of detail aspects.

Numerical simulation of one-dimensional heat transfer in composite bodies with phase change. M.S. Thesis, 1980 Final Report; [wing deicing pads

NASA Technical Reports Server (NTRS)

Dewitt, K. J.; Baliga, G.

1982-01-01

A numerical simulation was developed to investigate the one dimensional heat transfer occurring in a system composed of a layered aircraft blade having an ice deposit on its surface. The finite difference representation of the heat conduction equations was done using the Crank-Nicolson implicit finite difference formulation. The simulation considers uniform or time dependent heat sources, from heaters which can be either point sources or of finite thickness. For the ice water phase change, a numerical method which approximates the latent heat effect by a large heat capacity over a small temperature interval was applied. The simulation describes the temperature profiles within the various layers of the de-icer pad, as well as the movement of the ice water interface. The simulation could also be used to predict the one dimensional temperature profiles in any composite slab having different boundary conditions.

Roughness in the Kolmogorov Johnson Mehl Avrami framework: extension to (2+1)D of the Trofimov Park model

NASA Astrophysics Data System (ADS)

Pacchiarotti, Barbara; Fanfoni, Massimo; Tomellini, Massimo

2005-12-01

In this paper the reformulation of Trofimov-Park (TP) model, [V.I. Trofimov, Appl. Surf. Sci. 219 (2003) 93), of thin film roughness evolution during nucleation and growth of islands in case of simultaneous nucleation is presented. The calculation of TP restricted to one-dimensional triangular islands has been extended to both the one-dimensional elliptical case and to the pyramidal two-dimensional one. The kinetics of the interface width, w, and the height-height autocorrelation function G, through which the correlation length ξ has been defined, have been estimated. Moreover, w(Θ) and ξ(Θ), where Θ is the fraction of the covered substrate, if properly rescaled to the density of nuclei N and to the aspect ratio of islands, are universal functions that, for a conspicuous range of Θ, obey a power law with the exponent depending upon island shape.

Functional structural motifs for protein-ligand, protein-protein, and protein-nucleic acid interactions and their connection to supersecondary structures.

PubMed

Kinjo, Akira R; Nakamura, Haruki

2013-01-01

Protein functions are mediated by interactions between proteins and other molecules. One useful approach to analyze protein functions is to compare and classify the structures of interaction interfaces of proteins. Here, we describe the procedures for compiling a database of interface structures and efficiently comparing the interface structures. To do so requires a good understanding of the data structures of the Protein Data Bank (PDB). Therefore, we also provide a detailed account of the PDB exchange dictionary necessary for extracting data that are relevant for analyzing interaction interfaces and secondary structures. We identify recurring structural motifs by classifying similar interface structures, and we define a coarse-grained representation of supersecondary structures (SSS) which represents a sequence of two or three secondary structure elements including their relative orientations as a string of four to seven letters. By examining the correspondence between structural motifs and SSS strings, we show that no SSS string has particularly high propensity to be found interaction interfaces in general, indicating any SSS can be used as a binding interface. When individual structural motifs are examined, there are some SSS strings that have high propensity for particular groups of structural motifs. In addition, it is shown that while the SSS strings found in particular structural motifs for nonpolymer and protein interfaces are as abundant as in other structural motifs that belong to the same subunit, structural motifs for nucleic acid interfaces exhibit somewhat stronger preference for SSS strings. In regard to protein folds, many motif-specific SSS strings were found across many folds, suggesting that SSS may be a useful description to investigate the universality of ligand binding modes.

Nonlinear vibrational spectroscopy of surfactants at liquid interfaces

NASA Astrophysics Data System (ADS)

Miranda, Paulo Barbeitas

Surfactants are widely used to modify physical and chemical properties of interfaces. They play an important role in many technological problems. Surfactant monolayers are also of great scientific interest because they are two-dimensional systems that may exhibit a very rich phase transition behavior and can also be considered as a model system for biological interfaces. In this Thesis, we use a second-order nonlinear optical technique (Sum-Frequency Generation - SFG) to obtain vibrational spectra of surfactant monolayers at liquid/vapor and solid/liquid interfaces. The technique has several advantages: it is intrinsically surface-specific, can be applied to buried interfaces, has submonolayer sensitivity and is remarkably sensitive to the conformational order of surfactant monolayers. The first part of the Thesis is concerned with surfactant monolayers at the air/water interface (Langmuir films). Surface crystallization of an alcohol Langmuir film and of liquid alkanes are studied and their phase transition behaviors are found to be of different nature, although driven by similar intermolecular interactions. The effect of crystalline order of Langmuir monolayers on the interfacial water structure is also investigated. It is shown that water forms a well-ordered hydrogen-bonded network underneath an alcohol monolayer, in contrast to a fatty acid monolayer which induces a more disordered structure. In the latter case, ionization of the monolayer becomes more significant with increase of the water pH value, leading to an electric-field-induced ordering of interfacial water molecules. We also show that the orientation and conformation of fairly complicated molecules in a Langmuir monolayer can be completely mapped out using a combination of SFG and second harmonic generation (SHG). For a quantitative analysis of molecular orientation at an interface, local-field corrections must be included. The second part is a study of self-assembled surfactant monolayers at the solid/liquid interface. It is shown that the conformation of a monolayer adsorbed onto a solid substrate and immersed in a liquid is highly dependent on the monolayer surface density and on the nature of intermolecular interactions in the liquid. Fully packed monolayers are well ordered in any environment due to strong surfactant-surfactant interactions and limited liquid penetration into the monolayer. In contrast, loosely packed monolayers are very sensitive to the liquid environment. Non-polar liquids cause a mild increase in the surfactant conformational disorder. Polar liquids induce more disorder and hydrogen-bonding liquids produce highly disordered conformations due to the hydrophobic effect. When immersed in alkanes, under certain conditions the surfactant chains may become highly ordered due to their interaction with the liquid molecules (chain-chain interaction). In the case of long-chain alcohols, competition between the hydrophobic effect and chain-chain interaction is observed.

Evaluating the Usability of Pinchigator, a system for Navigating Virtual Worlds using Pinch Gloves

NASA Technical Reports Server (NTRS)

Hamilton, George S.; Brookman, Stephen; Dumas, Joseph D. II; Tilghman, Neal

2003-01-01

Appropriate design of two dimensional user interfaces (2D U/I) utilizing the well known WIMP (Window, Icon, Menu, Pointing device) environment for computer software is well studied and guidance can be found in several standards. Three-dimensional U/I design is not nearly so mature as 2D U/I, and standards bodies have not reached consensus on what makes a usable interface. This is especially true when the tools for interacting with the virtual environment may include stereo viewing, real time trackers and pinch gloves instead of just a mouse & keyboard. Over the last several years the authors have created a 3D U/I system dubbed Pinchigator for navigating virtual worlds based on the dVise dV/Mockup visualization software, Fakespace Pinch Gloves and Pohlemus trackers. The current work is to test the usability of the system on several virtual worlds, suggest improvements to increase Pinchigator s usability, and then to generalize about what was learned and how those lessons might be applied to improve other 3D U/I systems.

Quantum logic using correlated one-dimensional quantum walks

NASA Astrophysics Data System (ADS)

Lahini, Yoav; Steinbrecher, Gregory R.; Bookatz, Adam D.; Englund, Dirk

2018-01-01

Quantum Walks are unitary processes describing the evolution of an initially localized wavefunction on a lattice potential. The complexity of the dynamics increases significantly when several indistinguishable quantum walkers propagate on the same lattice simultaneously, as these develop non-trivial spatial correlations that depend on the particle's quantum statistics, mutual interactions, initial positions, and the lattice potential. We show that even in the simplest case of a quantum walk on a one dimensional graph, these correlations can be shaped to yield a complete set of compact quantum logic operations. We provide detailed recipes for implementing quantum logic on one-dimensional quantum walks in two general cases. For non-interacting bosons—such as photons in waveguide lattices—we find high-fidelity probabilistic quantum gates that could be integrated into linear optics quantum computation schemes. For interacting quantum-walkers on a one-dimensional lattice—a situation that has recently been demonstrated using ultra-cold atoms—we find deterministic logic operations that are universal for quantum information processing. The suggested implementation requires minimal resources and a level of control that is within reach using recently demonstrated techniques. Further work is required to address error-correction.

Lax pair, conservation laws and solitons for a (2 + 1)-dimensional fourth-order nonlinear Schrödinger equation governing an α-helical protein

NASA Astrophysics Data System (ADS)

Chai, Jun; Tian, Bo; Zhen, Hui-Ling; Sun, Wen-Rong

2015-11-01

Energy transfer through a (2+1)-dimensional α-helical protein can be described by a (2+1)-dimensional fourth-order nonlinear Schrödinger equation. For such an equation, a Lax pair and the infinitely-many conservation laws are derived. Using an auxiliary function and a bilinear formulation, we get the one-, two-, three- and N-soliton solutions via the Hirota method. The soliton velocity is linearly related to the lattice parameter γ, while the soliton' direction and amplitude do not depend on γ. Interactions between the two solitons are elastic, while those among the three solitons are pairwise elastic. Oblique, head-on and overtaking interactions between the two solitons are displayed. Oblique interaction among the three solitons and interactions among the two parallel solitons and a single one are presented as well.

Heat transfer analysis of the Bridgman-Stockbarger configuration for crystal growth. Part 1: Analytical treatment of the axial temperature distribution

NASA Technical Reports Server (NTRS)

Jasinski, T. J.; Rohsenow, W. M.; Witt, A. F.

1982-01-01

All first order effects on the axial temperature distribution in a solidifying charge in a Bridgman-Stockbarger configuration for crystal growth are analyzed on the basis of a one dimensional model whose validity can be verified through comparison with published finite difference ana;uses of two dimensional models. The model presented includes an insulated region between axially aligned heat pipes and considers the effects of charge diameter, charge motion, thickness, and thermal conductivity of a confining crucible, thermal conductivity change at the crystal-melt interface, generation of latent heat at the interface, and finite charge length. Results are primarily given in analytical form and can be used without recourse to computer work for both improve furnace design and optimization of growth conditions in a given thermal configuration.

From face to interface recognition: a differential geometric approach to distinguish DNA from RNA binding surfaces

PubMed Central

Shazman, Shula; Elber, Gershon; Mandel-Gutfreund, Yael

2011-01-01

Protein nucleic acid interactions play a critical role in all steps of the gene expression pathway. Nucleic acid (NA) binding proteins interact with their partners, DNA or RNA, via distinct regions on their surface that are characterized by an ensemble of chemical, physical and geometrical properties. In this study, we introduce a novel methodology based on differential geometry, commonly used in face recognition, to characterize and predict NA binding surfaces on proteins. Applying the method on experimentally solved three-dimensional structures of proteins we successfully classify double-stranded DNA (dsDNA) from single-stranded RNA (ssRNA) binding proteins, with 83% accuracy. We show that the method is insensitive to conformational changes that occur upon binding and can be applicable for de novo protein-function prediction. Remarkably, when concentrating on the zinc finger motif, we distinguish successfully between RNA and DNA binding interfaces possessing the same binding motif even within the same protein, as demonstrated for the RNA polymerase transcription-factor, TFIIIA. In conclusion, we present a novel methodology to characterize protein surfaces, which can accurately tell apart dsDNA from an ssRNA binding interfaces. The strength of our method in recognizing fine-tuned differences on NA binding interfaces make it applicable for many other molecular recognition problems, with potential implications for drug design. PMID:21693557

MollDE: a homology modeling framework you can click with.

PubMed

Canutescu, Adrian A; Dunbrack, Roland L

2005-06-15

Molecular Integrated Development Environment (MolIDE) is an integrated application designed to provide homology modeling tools and protocols under a uniform, user-friendly graphical interface. Its main purpose is to combine the most frequent modeling steps in a semi-automatic, interactive way, guiding the user from the target protein sequence to the final three-dimensional protein structure. The typical basic homology modeling process is composed of building sequence profiles of the target sequence family, secondary structure prediction, sequence alignment with PDB structures, assisted alignment editing, side-chain prediction and loop building. All of these steps are available through a graphical user interface. MolIDE's user-friendly and streamlined interactive modeling protocol allows the user to focus on the important modeling questions, hiding from the user the raw data generation and conversion steps. MolIDE was designed from the ground up as an open-source, cross-platform, extensible framework. This allows developers to integrate additional third-party programs to MolIDE. http://dunbrack.fccc.edu/molide/molide.php rl_dunbrack@fccc.edu.

Patchy Particles of Block Copolymers from Interface-Engineered Emulsions

NASA Astrophysics Data System (ADS)

Ku, Kang Hee; Kim, Yongjoo; Yi, Gi-Ra; Jung, Yeon Sik; Kim, Bumjoon

A simple method for creating soft patchy particles with a variety of three-dimensional shapes has been developed through the evaporation-induced assembly of polystyrene-b-poly(4-vinylpyridine) (PS-b-P4VP) block copolymer (BCP) in an oil-in-water emulsion. Depending on the particle volume, a series of patchy particles in the shapes of snowmen, dumbbells, triangles, tetrahedra, and raspberry can be prepared, which are then precisely tuned by modulating the interfacial interaction at the particle/water interface using a mixture of two different surfactants. Moreover, for a given interfacial interaction, the stretching penalty of the BCPs in the patchy particles can be systematically controlled by adding P4VP homopolymers, which decreases the number of patches of soft particles from multiple patches to a single patch but increases the size of the patch. Calculations based on the strong segregation theory supported the experimental observation of various soft patchy particles and identified the underlying principles of their formation with tunable 3D structures.

Design and Calibration of a New 6 DOF Haptic Device

PubMed Central

Qin, Huanhuan; Song, Aiguo; Liu, Yuqing; Jiang, Guohua; Zhou, Bohe

2015-01-01

For many applications such as tele-operational robots and interactions with virtual environments, it is better to have performance with force feedback than without. Haptic devices are force reflecting interfaces. They can also track human hand positions simultaneously. A new 6 DOF (degree-of-freedom) haptic device was designed and calibrated in this study. It mainly contains a double parallel linkage, a rhombus linkage, a rotating mechanical structure and a grasping interface. Benefited from the unique design, it is a hybrid structure device with a large workspace and high output capability. Therefore, it is capable of multi-finger interactions. Moreover, with an adjustable base, operators can change different postures without interrupting haptic tasks. To investigate the performance regarding position tracking accuracy and static output forces, we conducted experiments on a three-dimensional electric sliding platform and a digital force gauge, respectively. Displacement errors and force errors are calculated and analyzed. To identify the capability and potential of the device, four application examples were programmed. PMID:26690449

Interfacing the NRL 1-D High Vertical Resolution Aerosol Model with COAMPS

DTIC Science & Technology

2006-09-30

model integrated with mesoscale meterological data to study marine boundary layer aerosol dynamics, J. Geophys. Res., in press, 2006. Hoppel, W. A...W.A. Hoppel, J.J. Shi: A one-dimensional sectional aerosol model integrated with mesoscale meterological data to study marine boundary layer aerosol

kmos: A lattice kinetic Monte Carlo framework

NASA Astrophysics Data System (ADS)

Hoffmann, Max J.; Matera, Sebastian; Reuter, Karsten

2014-07-01

Kinetic Monte Carlo (kMC) simulations have emerged as a key tool for microkinetic modeling in heterogeneous catalysis and other materials applications. Systems, where site-specificity of all elementary reactions allows a mapping onto a lattice of discrete active sites, can be addressed within the particularly efficient lattice kMC approach. To this end we describe the versatile kmos software package, which offers a most user-friendly implementation, execution, and evaluation of lattice kMC models of arbitrary complexity in one- to three-dimensional lattice systems, involving multiple active sites in periodic or aperiodic arrangements, as well as site-resolved pairwise and higher-order lateral interactions. Conceptually, kmos achieves a maximum runtime performance which is essentially independent of lattice size by generating code for the efficiency-determining local update of available events that is optimized for a defined kMC model. For this model definition and the control of all runtime and evaluation aspects kmos offers a high-level application programming interface. Usage proceeds interactively, via scripts, or a graphical user interface, which visualizes the model geometry, the lattice occupations and rates of selected elementary reactions, while allowing on-the-fly changes of simulation parameters. We demonstrate the performance and scaling of kmos with the application to kMC models for surface catalytic processes, where for given operation conditions (temperature and partial pressures of all reactants) central simulation outcomes are catalytic activity and selectivities, surface composition, and mechanistic insight into the occurrence of individual elementary processes in the reaction network.

Interfacing a General Purpose Fluid Network Flow Program with the SINDA/G Thermal Analysis Program

NASA Technical Reports Server (NTRS)

Schallhorn, Paul; Popok, Daniel

1999-01-01

A general purpose, one dimensional fluid flow code is currently being interfaced with the thermal analysis program Systems Improved Numerical Differencing Analyzer/Gaski (SINDA/G). The flow code, Generalized Fluid System Simulation Program (GFSSP), is capable of analyzing steady state and transient flow in a complex network. The flow code is capable of modeling several physical phenomena including compressibility effects, phase changes, body forces (such as gravity and centrifugal) and mixture thermodynamics for multiple species. The addition of GFSSP to SINDA/G provides a significant improvement in convective heat transfer modeling for SINDA/G. The interface development is conducted in multiple phases. This paper describes the first phase of the interface which allows for steady and quasi-steady (unsteady solid, steady fluid) conjugate heat transfer modeling.

A brain computer interface using electrocorticographic signals in humans

NASA Astrophysics Data System (ADS)

Leuthardt, Eric C.; Schalk, Gerwin; Wolpaw, Jonathan R.; Ojemann, Jeffrey G.; Moran, Daniel W.

2004-06-01

Brain-computer interfaces (BCIs) enable users to control devices with electroencephalographic (EEG) activity from the scalp or with single-neuron activity from within the brain. Both methods have disadvantages: EEG has limited resolution and requires extensive training, while single-neuron recording entails significant clinical risks and has limited stability. We demonstrate here for the first time that electrocorticographic (ECoG) activity recorded from the surface of the brain can enable users to control a one-dimensional computer cursor rapidly and accurately. We first identified ECoG signals that were associated with different types of motor and speech imagery. Over brief training periods of 3-24 min, four patients then used these signals to master closed-loop control and to achieve success rates of 74-100% in a one-dimensional binary task. In additional open-loop experiments, we found that ECoG signals at frequencies up to 180 Hz encoded substantial information about the direction of two-dimensional joystick movements. Our results suggest that an ECoG-based BCI could provide for people with severe motor disabilities a non-muscular communication and control option that is more powerful than EEG-based BCIs and is potentially more stable and less traumatic than BCIs that use electrodes penetrating the brain. The authors declare that they have no competing financial interests.

Computer systems and methods for the query and visualization of multidimensional databases

DOEpatents

Stolte, Chris; Tang, Diane L; Hanrahan, Patrick

2015-03-03

A computer displays a graphical user interface on its display. The graphical user interface includes a schema information region and a data visualization region. The schema information region includes multiple operand names, each operand corresponding to one or more fields of a multi-dimensional database that includes at least one data hierarchy. The data visualization region includes a columns shelf and a rows shelf. The computer detects user actions to associate one or more first operands with the columns shelf and to associate one or more second operands with the rows shelf. The computer generates a visual table in the data visualization region in accordance with the user actions. The visual table includes one or more panes. Each pane has an x-axis defined based on data for the one or more first operands, and each pane has a y-axis defined based on data for the one or more second operands.

Improved function and growth of pancreatic cells in a three-dimensional bioreactor environment.

PubMed

Samuelson, Lisa; Gerber, David A

2013-01-01

Methods of three-dimensional (3D) cell culture have made significant progress in recent years due to a better understanding of cell to cell interactions and the cell's interface with their surrounding environment. We hypothesized that a microgravity 3D culture system would improve upon the growth and function of a pancreatic progenitor cell population. We developed a rotating wall vessel bioreactor and established a culture system using a pancreatic cell line. Cells in the bioreactors showed robust proliferation, enhanced transcriptional signaling, and improved translation of pancreatic genes compared with two-dimensional static culture. Cells also gained the ability to respond to glucose stimulation, which was not observed in the control cultures. These findings suggest that a 3D microgravity bioreactor environment mimics the niche of the pancreas yielding a cell source with potential for cell-based therapy in the treatment of diabetes.

Spatially Resolved One-Dimensional Boundary States in Graphene-Hexagonal Boron Nitride Planar Heterostructures

DOE PAGES

Li, An-Ping; Park, Jewook; Lee, Jaekwang; ...

2014-01-01

Two-dimensional (2D) interfaces between crystalline materials have been shown to generate unusual interfacial electronic states in complex oxides1-4. Recently, a onedimensional (1D) polar-on-nonpolar interface has been realized in hexagonal boron nitride (hBN) and graphene heterostructures 5-10, where a coherent 1D boundary is expected to possess peculiar electronic states dictated by edge states of graphene and the polarity of hBN 11-13. Here we present a combined scanning tunneling microscopy (STM) and firstprinciples theory study of the graphene-hBN boundary to provide a rare glimpse into the spatial and energetic distributions of the 1D boundary states in real-space. The interfaces studied here aremore » crystallographically coherent with sharp transitions from graphene zigzag edges to B (or N) terminated hBN atomic layers on a Cu foil substrate5. The revealed boundary states are about 0.6 eV below or above the Fermi energy depending on the termination of the hBN at the boundary, and are extended along but localized at the boundary with a lateral thickness of 2-3nm. These results suggest that unconventional physical effects similar to those observed at 2D interfaces can also exist in lower dimensions, opening a route for tuning of electronic properties at interfaces in 2D heterostructures.« less

Investigation of the complex electroviscous effects on electrolyte (single and multiphase) flow in porous medi.

NASA Astrophysics Data System (ADS)

Bolet, A. J. S.; Linga, G.; Mathiesen, J.

2017-12-01

Surface charge is an important control parameter for wall-bounded flow of electrolyte solution. The electroviscous effect has been studied theoretically in model geometries such as infinite capillaries. However, in more complex geometries a quantification of the electroviscous effect is a non-trival task due to strong non-linarites of the underlying equations. In general, one has to rely on numerical methods. Here we present numerical studies of the full three-dimensional steady state Stokes-Poisson-Nernst-Planck problem in order to model electrolyte transport in artificial porous samples. The simulations are performed using the finite element method. From the simulation, we quantity how the electroviscous effect changes the general flow permeability in complex three-dimensional porous media. The porous media we consider are mostly generated artificially by connecting randomly dispersed cylindrical pores. Furthermore, we present results of electric driven two-phase immiscible flow in two dimensions. The simulations are performed by augmenting the above equations with a phase field model to handle and track the interaction between the two fluids (using parameters corresponding to oil-water interfaces, where oil non-polar). In particular, we consider the electro-osmotic effect on imbibition due to charged walls and electrolyte-solution.

Direct Imaging of Charge Density Modulation in Switchable Two-Dimensional Electron Gas at the Oxide Hetero-Interfaces by Using Electron Bean Inline Holography

DTIC Science & Technology

2015-08-16

Switchable Two-Dimensional Electron Gas at the Oxide Hetero-Interfaces by Using Electron Bean Inline Holography 5a. CONTRACT NUMBER FA2386-13-1-4136...Hetero-Interfaces by Using Electron Bean Inline Holography 5a. CONTRACT NUMBER FA2386-13-1-4136 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 61102F

Interface between path and orbital angular momentum entanglement for high-dimensional photonic quantum information.

PubMed

Fickler, Robert; Lapkiewicz, Radek; Huber, Marcus; Lavery, Martin P J; Padgett, Miles J; Zeilinger, Anton

2014-07-30

Photonics has become a mature field of quantum information science, where integrated optical circuits offer a way to scale the complexity of the set-up as well as the dimensionality of the quantum state. On photonic chips, paths are the natural way to encode information. To distribute those high-dimensional quantum states over large distances, transverse spatial modes, like orbital angular momentum possessing Laguerre Gauss modes, are favourable as flying information carriers. Here we demonstrate a quantum interface between these two vibrant photonic fields. We create three-dimensional path entanglement between two photons in a nonlinear crystal and use a mode sorter as the quantum interface to transfer the entanglement to the orbital angular momentum degree of freedom. Thus our results show a flexible way to create high-dimensional spatial mode entanglement. Moreover, they pave the way to implement broad complex quantum networks where high-dimensionally entangled states could be distributed over distant photonic chips.

LaTiO₃/KTaO₃ interfaces: A new two-dimensional electron gas system

DOE PAGES

Zou, K.; Ismail-Beigi, Sohrab; Kisslinger, Kim; ...

2015-03-01

We report a new 2D electron gas (2DEG) system at the interface between a Mott insulator, LaTiO₃, and a band insulator, KTaO₃. For LaTiO₃/KTaO₃ interfaces, we observe metallic conduction from 2 K to 300 K. One serious technological limitation of SrTiO₃-based conducting oxide interfaces for electronics applications is the relatively low carrier mobility (0.5-10 cm²/V s) of SrTiO₃ at room temperature. By using KTaO₃, we achieve mobilities in LaTiO₃/KTaO₃ interfaces as high as 21 cm²/V s at room temperature, over a factor of 3 higher than observed in doped bulk SrTiO₃. By density functional theory, we attribute the higher mobilitymore » in KTaO₃ 2DEGs to the smaller effective mass for electrons in KTaO₃.« less

Fast trimers in a one-dimensional extended Fermi-Hubbard model

NASA Astrophysics Data System (ADS)

Dhar, A.; Törmä, P.; Kinnunen, J. J.

2018-04-01

We consider a one-dimensional two-component extended Fermi-Hubbard model with nearest-neighbor interactions and mass imbalance between the two species. We study the binding energy of trimers, various observables for detecting them, and expansion dynamics. We generalize the definition of the trimer gap to include the formation of different types of clusters originating from nearest-neighbor interactions. Expansion dynamics reveal rapidly propagating trimers, with speeds exceeding doublon propagation in the strongly interacting regime. We present a simple model for understanding this unique feature of the movement of the trimers, and we discuss the potential for experimental realization.

Optical phonon effect in quasi-one-dimensional semiconductor quantum wires: Band-gap renormalization

NASA Astrophysics Data System (ADS)

Dan, Nguyen Trung; Bechstedt, F.

1996-02-01

We present theoretical studies of dynamical screening in quasi-one-dimensional semiconductor quantum wires including electron-electron and electron-LO-phonon interactions. Within the random-phase approximation we obtain analytical expressions for screened interaction potentials. These expressions can be used to calculate the band-gap renormalization of quantum wires, which depends on the free-carrier density and temperature. We find that the optical phonon interaction effect plays a significant role in band-gap renormalization of quantum wires. The numerical results are compared with some recent experiment measurements as well as available theories.

Zak phase and band inversion in dimerized one-dimensional locally resonant metamaterials

NASA Astrophysics Data System (ADS)

Zhu, Weiwei; Ding, Ya-qiong; Ren, Jie; Sun, Yong; Li, Yunhui; Jiang, Haitao; Chen, Hong

2018-05-01

The Zak phase, which refers to Berry's phase picked up by a particle moving across the Brillouin zone, characterizes the topological properties of Bloch bands in a one-dimensional periodic system. Here the Zak phase in dimerized one-dimensional locally resonant metamaterials is investigated. It is found that there are some singular points in the bulk band across which the Bloch states contribute π to the Zak phase, whereas in the rest of the band the contribution is nearly zero. These singular points associated with zero reflection are caused by two different mechanisms: the dimerization-independent antiresonance of each branch and the dimerization-dependent destructive interference in multiple backscattering. The structure undergoes a topological phase-transition point in the band structure where the band inverts, and the Zak phase, which is determined by the numbers of singular points in the bulk band, changes following a shift in dimerization parameter. Finally, the interface state between two dimerized metamaterial structures with different topological properties in the first band gap is demonstrated experimentally. The quasi-one-dimensional configuration of the system allows one to explore topology-inspired new methods and applications on the subwavelength scale.

Two-dimensional superconductivity at a Mott insulator/band insulator interface LaTiO3/SrTiO3.

PubMed

Biscaras, J; Bergeal, N; Kushwaha, A; Wolf, T; Rastogi, A; Budhani, R C; Lesueur, J

2010-10-05

Transition metal oxides show a great variety of quantum electronic behaviours where correlations often have an important role. The achievement of high-quality epitaxial interfaces involving such materials gives a unique opportunity to engineer artificial structures where new electronic orders take place. One of the most striking result in this area is the recent observation of a two-dimensional electron gas at the interface between a strongly correlated Mott insulator LaTiO(3) and a band insulator SrTiO(3). The mechanism responsible for such a behaviour is still under debate. In particular, the influence of the nature of the insulator has to be clarified. In this article, we show that despite the expected electronic correlations, LaTiO(3)/SrTiO(3) heterostructures undergo a superconducting transition at a critical temperature T(c)(onset)~300 mK. We have found that the superconducting electron gas is confined over a typical thickness of 12 nm and is located mostly on the SrTiO(3) substrate.

Phase-field simulations of velocity selection in rapidly solidified binary alloys

NASA Astrophysics Data System (ADS)

Fan, Jun; Greenwood, Michael; Haataja, Mikko; Provatas, Nikolas

2006-09-01

Time-dependent simulations of two-dimensional isothermal Ni-Cu dendrites are simulated using a phase-field model solved with a finite-difference adaptive mesh refinement technique. Dendrite tip velocity selection is examined and found to exhibit a transition between two markedly different regimes as undercooling is increased. At low undercooling, the dendrite tip growth rate is consistent with the kinetics of the classical Stefan problem, where the interface is assume to be in local equilibrium. At high undercooling, the growth velocity selected approaches a linear dependence on melt undercooling, consistent with the continuous growth kinetics of Aziz and with a one-dimensional steady-state phase-field asymptotic analysis of Ahmad [Phys. Rev. E 58, 3436 (1998)]. Our simulations are also consistent with other previously observed behaviors of dendritic growth as undercooling is increased. These include the transition of dendritic morphology to absolute stability and nonequilibrium solute partitioning. Our results show that phase-field models of solidification, which inherently contain a nonzero interface width, can be used to study the dynamics of complex solidification phenomena involving both equilibrium and nonequilibrium interface growth kinetics.

Seeing Below the Drop: Direct Nano-to-microscale Imaging of Complex Interfaces involving Solid, Liquid, and Gas Phases

NASA Astrophysics Data System (ADS)

Rykaczewski, Konrad; Landin, Trevan; Walker, Marlon L.; Scott, John Henry J.; Varanasi, Kripa K.

2012-11-01

Nanostructured surfaces with special wetting properties have the potential to transform number of industries, including power generation, water desalination, gas and oil production, and microelectronics thermal management. Predicting the wetting properties of these surfaces requires detailed knowledge of the geometry and the composition of the contact volume linking the droplet to the underlying substrate. Surprisingly, a general nano-to-microscale method for direct imaging of such interfaces has previously not been developed. Here we introduce a three dimensional imaging method which resolves this one-hundred-year-old metrology gap in wetting research. Specifically, we demonstrate direct nano-to-microscale imaging of complex fluidic interfaces using cryofixation in combination with cryo-FIB/SEM. We show that application of this method yields previously unattainable quantitative information about the interfacial geometry of water condensed on silicon nanowire forests with hydrophilic and hydrophobic surface termination in the presence or absence of an intermediate water repelling oil. We also discuss imaging artifacts and the advantages of secondary and backscatter electron imaging, Energy Dispersive Spectrometry (EDS), and three dimensional FIB/SEM tomography.

Dynamical transitions of a driven Ising interface

NASA Astrophysics Data System (ADS)

Sahai, Manish K.; Sengupta, Surajit

2008-03-01

We study the structure of an interface in a three-dimensional Ising system created by an external nonuniform field H(r,t) . H changes sign over a two-dimensional plane of arbitrary orientation. When the field is pulled with velocity ve , [i.e., H(r,t)=H(r-vet) ], the interface undergoes several dynamical transitions. For low velocities it is pinned by the field profile and moves along with it, the distribution of local slopes undergoing a series of commensurate-incommensurate transitions. For large ve the interface depins and grows with Kardar-Parisi-Zhang exponents.

Advanced graphical user interface for multi-physics simulations using AMST

NASA Astrophysics Data System (ADS)

Hoffmann, Florian; Vogel, Frank

2017-07-01

Numerical modelling of particulate matter has gained much popularity in recent decades. Advanced Multi-physics Simulation Technology (AMST) is a state-of-the-art three dimensional numerical modelling technique combining the eX-tended Discrete Element Method (XDEM) with Computational Fluid Dynamics (CFD) and Finite Element Analysis (FEA) [1]. One major limitation of this code is the lack of a graphical user interface (GUI) meaning that all pre-processing has to be made directly in a HDF5-file. This contribution presents the first graphical pre-processor developed for AMST.

[Zn(INO) 2(DMF)]·DMF: A new three-dimensional supramolecular open framework containing one-dimensional channels

NASA Astrophysics Data System (ADS)

Hong, Jun

2006-02-01

A three-dimensional supramolecular compound, [Zn(INO) 2(DMF)]·DMF (1) (INO=isonicotinic acid N-oxide), has been prepared in the DMF solution at room temperature, and characterized by elemental analysis, TG and single crystal X-ray diffraction. The three-dimensional supramolecular open framework of 1 contains rectangular channels with the dimensions of 9.02×10.15 Å, assembled from one-dimensional helical chains via hydrogen-bonding and π-π stacking interactions. Furthermore, compound 1 shows blue photoluminescence at room temperature.

Impact of an irregular friction formulation on dynamics of a minimal model for brake squeal

NASA Astrophysics Data System (ADS)

Stender, Merten; Tiedemann, Merten; Hoffmann, Norbert; Oberst, Sebastian

2018-07-01

Friction-induced vibrations are of major concern in the design of reliable, efficient and comfortable technical systems. Well-known examples for systems susceptible to self-excitation can be found in fluid structure interaction, disk brake squeal, rotor dynamics, hip implants noise and many more. While damping elements and amplitude reduction are well-understood in linear systems, nonlinear systems and especially self-excited dynamics still constitute a challenge for damping element design. Additionally, complex dynamical systems exhibit deterministic chaotic cores which add severe sensitivity to initial conditions to the system response. Especially the complex friction interface dynamics remain a challenging task for measurements and modeling. Today, mostly simple and regular friction models are investigated in the field of self-excited brake system vibrations. This work aims at investigating the effect of high-frequency irregular interface dynamics on the nonlinear dynamical response of a self-excited structure. Special focus is put on the characterization of the system response time series. A low-dimensional minimal model is studied which features self-excitation, gyroscopic effects and friction-induced damping. Additionally, the employed friction formulation exhibits temperature as inner variable and superposed chaotic fluctuations governed by a Lorenz attractor. The time scale of the irregular fluctuations is chosen one order smaller than the overall system dynamics. The influence of those fluctuations on the structural response is studied in various ways, i.e. in time domain and by means of recurrence analysis. The separate time scales are studied in detail and regimes of dynamic interactions are identified. The results of the irregular friction formulation indicate dynamic interactions on multiple time scales, which trigger larger vibration amplitudes as compared to regular friction formulations conventionally studied in the field of friction-induced vibrations.

Significant improvement in one-dimensional cursor control using Laplacian electroencephalography over electroencephalography

NASA Astrophysics Data System (ADS)

Boudria, Yacine; Feltane, Amal; Besio, Walter

2014-06-01

Objective. Brain-computer interfaces (BCIs) based on electroencephalography (EEG) have been shown to accurately detect mental activities, but the acquisition of high levels of control require extensive user training. Furthermore, EEG has low signal-to-noise ratio and low spatial resolution. The objective of the present study was to compare the accuracy between two types of BCIs during the first recording session. EEG and tripolar concentric ring electrode (TCRE) EEG (tEEG) brain signals were recorded and used to control one-dimensional cursor movements. Approach. Eight human subjects were asked to imagine either ‘left’ or ‘right’ hand movement during one recording session to control the computer cursor using TCRE and disc electrodes. Main results. The obtained results show a significant improvement in accuracies using TCREs (44%-100%) compared to disc electrodes (30%-86%). Significance. This study developed the first tEEG-based BCI system for real-time one-dimensional cursor movements and showed high accuracies with little training.

Editing Wikipedia content by screen reader: easier interaction with the Accessible Rich Internet Applications suite.

PubMed

Buzzi, Marina; Leporini, Barbara

2009-07-01

This study aims to improve Wikipedia usability for the blind and promote the application of standards relating to Web accessibility and usability. First, accessibility and usability of Wikipedia home, search result and edit pages are analysed using the JAWS screen reader; next, suggestions for improving interaction are proposed and a new Wikipedia editing interface built. Most of the improvements were obtained using the Accessible Rich Internet Applications (WAI-ARIA) suite, developed by the World Wide Web Consortium (W3C) within the framework of the Web Accessibility Initiative (WAI). Last, a scenario of use compares interaction of blind people with the original and the modified interfaces. Our study highlights that although all contents are accessible via screen reader, usability issues exist due to the user's difficulties when interacting with the interface. The scenario of use shows how building an editing interface with the W3C WAI-ARIA suite eliminates many obstacles that can prevent blind users from actively contributing to Wikipedia. The modified Wikipedia editing page is simpler to use via a screen reader than the original one because ARIA ensures a page overview, rapid navigation, and total control of what is happening in the interface.

Universality of Critically Pinned Interfaces in Two-Dimensional Isotropic Random Media

NASA Astrophysics Data System (ADS)

Grassberger, Peter

2018-05-01

Based on extensive simulations, we conjecture that critically pinned interfaces in two-dimensional isotropic random media with short-range correlations are always in the universality class of ordinary percolation. Thus, in contrast to interfaces in >2 dimensions, there is no distinction between fractal (i.e., percolative) and rough but nonfractal interfaces. Our claim includes interfaces in zero-temperature random field Ising models (both with and without spontaneous nucleation), in heterogeneous bootstrap percolation, and in susceptible-weakened-infected-removed epidemics. It does not include models with long-range correlations in the randomness and models where overhangs are explicitly forbidden (which would imply nonisotropy of the medium).

Evaluation of an Intelligent Tutoring System in Pathology: Effects of External Representation on Performance Gains, Metacognition, and Acceptance

PubMed Central

Crowley, Rebecca S.; Legowski, Elizabeth; Medvedeva, Olga; Tseytlin, Eugene; Roh, Ellen; Jukic, Drazen

2007-01-01

Objective Determine effects of computer-based tutoring on diagnostic performance gains, meta-cognition, and acceptance using two different problem representations. Describe impact of tutoring on spectrum of diagnostic skills required for task performance. Identify key features of student-tutor interaction contributing to learning gains. Design Prospective, between-subjects study, controlled for participant level of training. Resident physicians in two academic pathology programs spent four hours using one of two interfaces which differed mainly in external problem representation. The case-focused representation provided an open-learning environment in which students were free to explore evidence-hypothesis relationships within a case, but could not visualize the entire diagnostic space. The knowledge-focused representation provided an interactive representation of the entire diagnostic space, which more tightly constrained student actions. Measurements Metrics included results of pretest, post-test and retention-test for multiple choice and case diagnosis tests, ratios of performance to student reported certainty, results of participant survey, learning curves, and interaction behaviors during tutoring. Results Students had highly significant learning gains after one tutoring session. Learning was retained at one week. There were no differences between the two interfaces in learning gains on post-test or retention test. Only students in the knowledge-focused interface exhibited significant metacognitive gains from pretest to post-test and pretest to retention test. Students rated the knowledge-focused interface significantly higher than the case-focused interface. Conclusions Cognitive tutoring is associated with improved diagnostic performance in a complex medical domain. The effect is retained at one-week post-training. Knowledge-focused external problem representation shows an advantage over case-focused representation for metacognitive effects and user acceptance. PMID:17213494

Evaluation of an intelligent tutoring system in pathology: effects of external representation on performance gains, metacognition, and acceptance.

PubMed

Crowley, Rebecca S; Legowski, Elizabeth; Medvedeva, Olga; Tseytlin, Eugene; Roh, Ellen; Jukic, Drazen

2007-01-01

Determine effects of computer-based tutoring on diagnostic performance gains, meta-cognition, and acceptance using two different problem representations. Describe impact of tutoring on spectrum of diagnostic skills required for task performance. Identify key features of student-tutor interaction contributing to learning gains. Prospective, between-subjects study, controlled for participant level of training. Resident physicians in two academic pathology programs spent four hours using one of two interfaces which differed mainly in external problem representation. The case-focused representation provided an open-learning environment in which students were free to explore evidence-hypothesis relationships within a case, but could not visualize the entire diagnostic space. The knowledge-focused representation provided an interactive representation of the entire diagnostic space, which more tightly constrained student actions. Metrics included results of pretest, post-test and retention-test for multiple choice and case diagnosis tests, ratios of performance to student reported certainty, results of participant survey, learning curves, and interaction behaviors during tutoring. Students had highly significant learning gains after one tutoring session. Learning was retained at one week. There were no differences between the two interfaces in learning gains on post-test or retention test. Only students in the knowledge-focused interface exhibited significant metacognitive gains from pretest to post-test and pretest to retention test. Students rated the knowledge-focused interface significantly higher than the case-focused interface. Cognitive tutoring is associated with improved diagnostic performance in a complex medical domain. The effect is retained at one-week post-training. Knowledge-focused external problem representation shows an advantage over case-focused representation for metacognitive effects and user acceptance.

Hydroelastic behaviour of a structure exposed to an underwater explosion

PubMed Central

Colicchio, G.; Greco, M.; Brocchini, M.; Faltinsen, O. M.

2015-01-01

The hydroelastic interaction between an underwater explosion and an elastic plate is investigated num- erically through a domain-decomposition strategy. The three-dimensional features of the problem require a large computational effort, which is reduced through a weak coupling between a one-dimensional radial blast solver, which resolves the blast evolution far from the boundaries, and a three-dimensional compressible flow solver used where the interactions between the compression wave and the boundaries take place and the flow becomes three-dimensional. The three-dimensional flow solver at the boundaries is directly coupled with a modal structural solver that models the response of the solid boundaries like elastic plates. This enables one to simulate the fluid–structure interaction as a strong coupling, in order to capture hydroelastic effects. The method has been applied to the experimental case of Hung et al. (2005 Int. J. Impact Eng. 31, 151–168 (doi:10.1016/j.ijimpeng.2003.10.039)) with explosion and structure sufficiently far from other boundaries and successfully validated in terms of the evolution of the acceleration induced on the plate. It was also used to investigate the interaction of an underwater explosion with the bottom of a close-by ship modelled as an orthotropic plate. In the application, the acoustic phase of the fluid–structure interaction is examined, highlighting the need of the fluid–structure coupling to capture correctly the possible inception of cavitation. PMID:25512585

Preferential flow in the vadose zone and interface dynamics: Impact of microbial exudates

NASA Astrophysics Data System (ADS)

Li, Biting; Pales, Ashley R.; Clifford, Heather M.; Kupis, Shyla; Hennessy, Sarah; Liang, Wei-Zhen; Moysey, Stephen; Powell, Brian; Finneran, Kevin T.; Darnault, Christophe J. G.

2018-03-01

In the hydrological cycle, the infiltration process is a critical component in the distribution of water into the soil and in the groundwater system. The nonlinear dynamics of the soil infiltration process yield preferential flow which affects the water distribution in soil. Preferential flow is influenced by the interactions between water, soil, plants, and microorganisms. Although the relationship among the plant roots, their rhizodeposits and water transport in soil has been the subject of extensive study, the effect of microbial exudates has been studied in only a few cases. Here the authors investigated the influence of two artificial microbial exudates-catechol and riboflavin-on the infiltration process, particularly unstable fingered flow, one form of preferential flow. Flow experiments investigating the effects of types and concentrations of microbial exudates on unstable fingered flow were conducted in a two-dimensional tank that was filled with ASTM

Dynamic DNA devices and assemblies formed by shape-complementary, non-base pairing 3D components

NASA Astrophysics Data System (ADS)

Gerling, Thomas; Wagenbauer, Klaus F.; Neuner, Andrea M.; Dietz, Hendrik

2015-03-01

We demonstrate that discrete three-dimensional (3D) DNA components can specifically self-assemble in solution on the basis of shape-complementarity and without base pairing. Using this principle, we produced homo- and heteromultimeric objects, including micrometer-scale one- and two-stranded filaments and lattices, as well as reconfigurable devices, including an actuator, a switchable gear, an unfoldable nanobook, and a nanorobot. These multidomain assemblies were stabilized via short-ranged nucleobase stacking bonds that compete against electrostatic repulsion between the components’ interfaces. Using imaging by electron microscopy, ensemble and single-molecule fluorescence resonance energy transfer spectroscopy, and electrophoretic mobility analysis, we show that the balance between attractive and repulsive interactions, and thus the conformation of the assemblies, may be finely controlled by global parameters such as cation concentration or temperature and by an allosteric mechanism based on strand-displacement reactions.

Spin wave propagation spectra in Octonacci one-dimensional magnonic quasicrystals

NASA Astrophysics Data System (ADS)

Valeriano, Analine P.; Costa, Carlos H.; Bezerra, Claudionor G.

2018-06-01

In this paper, we study spin wave propagation in quasiperiodic magnonic superlattices that follow the so-called Octonacci quasiperiodic sequence, where the N-th stage can be obtained through the recurrence rule SN =SN-1SN-2SN-1 , for N ⩾ 3 , and starting with S1 = A and S2 = B . The multilayered magnonic nanostructure is composed of two simple cubic ferromagnetic materials, labeled A and B, which interact through bilinear and biquadratic exchange couplings at their interfaces. The ferromagnetic materials are described by the Heisenberg model, and a transfer matrix treatment is employed, with the calculations performed for the exchange-dominated regime, taking the random phase approximation (RPA) into account. The obtained numerical results show the effects of both (i) the Octonacci quasiperiodic sequence and (ii) the biquadratic exchange coupling on the band structure and transmission spectra of spin waves. Comparisons are also performed with the spectra found in other periodic and quasiperiodic structures.

Computer systems and methods for the query and visualization of multidimensional databases

DOEpatents

Stolte, Chris; Tang, Diane L.; Hanrahan, Patrick

2015-11-10

A computer displays a graphical user interface on its display. The graphical user interface includes a schema information region and a data visualization region. The schema information region includes a plurality of fields of a multi-dimensional database that includes at least one data hierarchy. The data visualization region includes a columns shelf and a rows shelf. The computer detects user actions to associate one or more first fields with the columns shelf and to associate one or more second fields with the rows shelf. The computer generates a visual table in the data visualization region in accordance with the user actions. The visual table includes one or more panes. Each pane has an x-axis defined based on data for the one or more first fields, and each pane has a y-axis defined based on data for the one or more second fields.

Mach-Zehnder interferometry using spin- and valley-polarized quantum Hall edge states in graphene.

PubMed

Wei, Di S; van der Sar, Toeno; Sanchez-Yamagishi, Javier D; Watanabe, Kenji; Taniguchi, Takashi; Jarillo-Herrero, Pablo; Halperin, Bertrand I; Yacoby, Amir

2017-08-01

Confined to a two-dimensional plane, electrons in a strong magnetic field travel along the edge in one-dimensional quantum Hall channels that are protected against backscattering. These channels can be used as solid-state analogs of monochromatic beams of light, providing a unique platform for studying electron interference. Electron interferometry is regarded as one of the most promising routes for studying fractional and non-Abelian statistics and quantum entanglement via two-particle interference. However, creating an edge-channel interferometer in which electron-electron interactions play an important role requires a clean system and long phase coherence lengths. We realize electronic Mach-Zehnder interferometers with record visibilities of up to 98% using spin- and valley-polarized edge channels that copropagate along a pn junction in graphene. We find that interchannel scattering between same-spin edge channels along the physical graphene edge can be used to form beamsplitters, whereas the absence of interchannel scattering along gate-defined interfaces can be used to form isolated interferometer arms. Surprisingly, our interferometer is robust to dephasing effects at energies an order of magnitude larger than those observed in pioneering experiments on GaAs/AlGaAs quantum wells. Our results shed light on the nature of edge-channel equilibration and open up new possibilities for studying exotic electron statistics and quantum phenomena.

Dynamical phases in a one-dimensional chain of heterospecies Rydberg atoms with next-nearest-neighbor interactions

NASA Astrophysics Data System (ADS)

Qian, Jing; Zhang, Lu; Zhai, Jingjing; Zhang, Weiping

2015-12-01

We theoretically investigate the dynamical phase diagram of a one-dimensional chain of laser-excited two-species Rydberg atoms. The existence of a variety of unique dynamical phases in the experimentally achievable parameter region is predicted under the mean-field approximation, and the change in those phases when the effect of the next-nearest-neighbor interaction is included is further discussed. In particular, we find that the com-petition of the strong Rydberg-Rydberg interactions and the optical excitation imbalance can lead to the presence of complex multiple chaotic phases, which are highly sensitive to the initial Rydberg-state population and the strength of the next-nearest-neighbor interactions.

Cellular Spacing Selection During the Directional Solidification of Binary Alloys. A Numerical Approach

NASA Technical Reports Server (NTRS)

Catalina, Adrian V.; Sen, S.; Rose, M. Franklin (Technical Monitor)

2001-01-01

The evolution of cellular solid/liquid interfaces from an initially unstable planar front was studied by means of a two-dimensional computer simulation. The developed numerical model makes use of an interface tracking procedure and has the capability to describe the dynamics of the interface morphology based on local changes of the thermodynamic conditions. The fundamental physics of this formulation was validated against experimental microgravity results and the predictions of the analytical linear stability theory. The performed simulations revealed that in certain conditions, based on a competitive growth mechanism, an interface could become unstable to random perturbations of infinitesimal amplitude even at wavelengths smaller than the neutral wavelength, lambda(sub c), predicted by the linear stability theory. Furthermore, two main stages of spacing selection have been identified. In the first stage, at low perturbations amplitude, the selection mechanism is driven by the maximum growth rate of instabilities while in the second stage the selection is influenced by nonlinear phenomena caused by the interactions between the neighboring cells. Comparison of these predictions with other existing theories of pattern formation and experimental results will be discussed.

The DIMA web resource--exploring the protein domain network.

PubMed

Pagel, Philipp; Oesterheld, Matthias; Stümpflen, Volker; Frishman, Dmitrij

2006-04-15

Conserved domains represent essential building blocks of most known proteins. Owing to their role as modular components carrying out specific functions they form a network based both on functional relations and direct physical interactions. We have previously shown that domain interaction networks provide substantially novel information with respect to networks built on full-length protein chains. In this work we present a comprehensive web resource for exploring the Domain Interaction MAp (DIMA), interactively. The tool aims at integration of multiple data sources and prediction techniques, two of which have been implemented so far: domain phylogenetic profiling and experimentally demonstrated domain contacts from known three-dimensional structures. A powerful yet simple user interface enables the user to compute, visualize, navigate and download domain networks based on specific search criteria. http://mips.gsf.de/genre/proj/dima

Structural and Functional Basis of CXCL12 (stromal cell-derived factor-1 alpha) Binding to Heparin

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

Murphy,J.; Cho, Y.; Sachpatzidis, A.

2007-01-01

CXCL12 (SDF-1a) and CXCR4 are critical for embryonic development and cellular migration in adults. These proteins are involved in HIV-1 infection, cancer metastasis, and WHIM disease. Sequestration and presentation of CXCL12 to CXCR4 by glycosaminoglycans (GAGs) is proposed to be important for receptor activation. Mutagenesis has identified CXCL12 residues that bind to heparin. However, the molecular details of this interaction have not yet been determined. Here we demonstrate that soluble heparin and heparan sulfate negatively affect CXCL12-mediated in vitro chemotaxis. We also show that a cluster of basic residues in the dimer interface is required for chemotaxis and is amore » target for inhibition by heparin. We present structural evidence for binding of an unsaturated heparin disaccharide to CXCL12 attained through solution NMR spectroscopy and x-ray crystallography. Increasing concentrations of the disaccharide altered the two-dimensional 1H-15N-HSQC spectra of CXCL12, which identified two clusters of residues. One cluster corresponds to {beta}-strands in the dimer interface. The second includes the amino-terminal loop and the a-helix. In the x-ray structure two unsaturated disaccharides are present. One is in the dimer interface with direct contacts between residues His25, Lys27, and Arg41 of CXCL12 and the heparin disaccharide. The second disaccharide contacts Ala20, Arg21, Asn30, and Lys64. This is the first x-ray structure of a CXC class chemokine in complex with glycosaminoglycans. Based on the observation of two heparin binding sites, we propose a mechanism in which GAGs bind around CXCL12 dimers as they sequester and present CXCL12 to CXCR4.« less

Comprehensive hydrophilic interaction and ion-pair reversed-phase liquid chromatography for analysis of di- to deca-oligonucleotides.

PubMed

Li, Qin; Lynen, Frédéric; Wang, Jian; Li, Hanlin; Xu, Guowang; Sandra, Pat

2012-09-14

A comprehensive two-dimensional HPLC approach with a high degree of orthogonality was developed for analysis of di- to deca-oligonucleotides (ONs). Hydrophilic interaction liquid chromatography (HILIC) was used in the first dimension, and ion-pair reversed-phase liquid chromatography (IP-RPLC) was employed in the second dimension. The two dimensions were connected via a ten-port valve interface equipped with octadecyl silica (ODS) traps to immobilize and focus the ONs eluting from the first dimension prior to IP-RPLC separation. An aqueous make-up flow was used for effective trapping. The comprehensive two-dimensional HPLC system was optimized with a mixture consisting of 27 oligonucleotide standards. An overall chromatographic peak capacity of 500 was obtained. The use of the volatile buffer triethylamine acetate in the second dimension allowed straightforward coupling to electrospray ionization mass spectrometry (ESI-MS) and detection of each ON in the negative ionization mode. Copyright © 2011 Elsevier B.V. All rights reserved.

A Comparative Study on Multifactor Dimensionality Reduction Methods for Detecting Gene-Gene Interactions with the Survival Phenotype

PubMed Central

Lee, Seungyeoun; Kim, Yongkang; Kwon, Min-Seok; Park, Taesung

2015-01-01

Genome-wide association studies (GWAS) have extensively analyzed single SNP effects on a wide variety of common and complex diseases and found many genetic variants associated with diseases. However, there is still a large portion of the genetic variants left unexplained. This missing heritability problem might be due to the analytical strategy that limits analyses to only single SNPs. One of possible approaches to the missing heritability problem is to consider identifying multi-SNP effects or gene-gene interactions. The multifactor dimensionality reduction method has been widely used to detect gene-gene interactions based on the constructive induction by classifying high-dimensional genotype combinations into one-dimensional variable with two attributes of high risk and low risk for the case-control study. Many modifications of MDR have been proposed and also extended to the survival phenotype. In this study, we propose several extensions of MDR for the survival phenotype and compare the proposed extensions with earlier MDR through comprehensive simulation studies. PMID:26339630

Structure and interactions in biomaterials based on membrane-biopolymer self-assembly

NASA Astrophysics Data System (ADS)

Koltover, Ilya

Physical and chemical properties of artificial pure lipid membranes have been extensively studied during the last two decades and are relatively well understood. However, most real membrane systems of biological and biotechnological importance incorporate macromolecules either embedded into the membranes or absorbed onto their surfaces. We have investigated three classes of self-assembled membrane-biopolymer biomaterials: (i) Structure, interactions and stability of the two-dimensional crystals of the integral membrane protein bacteriorhodopsin (bR). We have conducted a synchrotron x-ray diffraction study of oriented bR multilayers. The important findings were as follows: (1) the protein 2D lattice exhibited diffraction patterns characteristic of a 2D solid with power-law decay of in-plane positional correlations, which allowed to measure the elastic constants of protein crystal; (2) The crystal melting temperature was a function of the multilayer hydration, reflecting the effect of inter-membrane repulsion on the stability of protein lattice; (3) Preparation of nearly perfect (mosaicity < 0.04° ) multilayers of fused bR membranes permitted, for the first time, application of powerful interface-sensitive x-ray scattering techniques to a membrane-protein system. (ii) Interactions between the particles chemically attached or absorbed onto the surfaces of flexible giant phospholipid vesicles. Using video-enhanced light microscopy we have observed a membrane-distortion induced attraction between the particles with the interaction range of the order of particle diameter. Fluid membranes decorated with many particles exhibited: (i) a finite-sized two-dimensional closed packed aggregates and (ii) a one-dimensional ring-like aggregates. (iii) Structure, stability and interactions in the cationic lipid-DNA complexes. Cationic liposomes complexed with DNA are among the most promising synthetic non-viral carriers of DNA vectors currently used in gene therapy applications. We have established that DNA complexes with cationic lipid (DOTAP) and a neutral lipid (DOPC) have a compact multilayer liquid crystalline structure ( L ca ) with DNA intercalated between the lipid bilayers in a periodic 2D smectic phase. Furthermore, a different 2D columnar phase of complexes was found in mixtures with a transfectionen-hancing lipid DOPE. This structure ( HcII ) derived from synchrotron x-ray diffraction consists of DNA coated by cationic lipid monolayers and arranged on a two-dimensional hexagonal lattice. Optical microscopy revealed that the L ca complexes bind stably to anionic vesicles (models of cellular membranes), whereas the more transfectant HcII complexes are unstable, rapidly fusing and releasing DNA upon adhering to anionic vesicles.

Hierarchy and Interactions in Environmental Interfaces Regarded as Biophysical Complex Systems

NASA Astrophysics Data System (ADS)

Mihailovic, Dragutin T.; Balaz, Igor

The field of environmental sciences is abundant with various interfaces and is the right place for the application of new fundamental approaches leading towards a better understanding of environmental phenomena. For example, following the definition of environmental interface by Mihailovic and Balaž [23], such interface can be placed between: human or animal bodies and surrounding air, aquatic species and water and air around them, and natural or artificially built surfaces (vegetation, ice, snow, barren soil, water, urban communities) and the atmosphere. Complex environmental interface systems are open and hierarchically organised, interactions between their constituent parts are nonlinear, and the interaction with the surrounding environment is noisy. These systems are therefore very sensitive to initial conditions, deterministic external perturbations and random fluctuations always present in nature. The study of noisy non-equilibrium processes is fundamental for modelling the dynamics of environmental interface systems and for understanding the mechanisms of spatio-temporal pattern formation in contemporary environmental sciences, particularly in environmental fluid mechanics. In modelling complex biophysical systems one of the main tasks is to successfully create an operative interface with the external environment. It should provide a robust and prompt translation of the vast diversity of external physical and/or chemical changes into a set of signals, which are "understandable" for an organism. Although the establishment of organisation in any system is of crucial importance for its functioning, it should not be forgotten that in biophysical systems we deal with real-life problems where a number of other conditions should be reached in order to put the system to work. One of them is the proper supply of the system by the energy. Therefore, we will investigate an aspect of dynamics of energy flow based on the energy balance equation. The energy as well as the exchange of biological, chemical and other physical quantities between interacting environmental interfaces can be represented by coupled maps. In this chapter we will address only two illustrative issues important for the modelling of interacting environmental interfaces regarded as complex systems. These are (i) use of algebra for modelling the autonomous establishment of local hierarchies in biophysical systems and (ii) numerical investigation of coupled maps representing exchange of energy, chemical and other relevant biophysical quantities between biophysical entities in their surrounding environment.

TDIGG - TWO-DIMENSIONAL, INTERACTIVE GRID GENERATION CODE

NASA Technical Reports Server (NTRS)

Vu, B. T.

1994-01-01

TDIGG is a fast and versatile program for generating two-dimensional computational grids for use with finite-difference flow-solvers. Both algebraic and elliptic grid generation systems are included. The method for grid generation by algebraic transformation is based on an interpolation algorithm and the elliptic grid generation is established by solving the partial differential equation (PDE). Non-uniform grid distributions are carried out using a hyperbolic tangent stretching function. For algebraic grid systems, interpolations in one direction (univariate) and two directions (bivariate) are considered. These interpolations are associated with linear or cubic Lagrangian/Hermite/Bezier polynomial functions. The algebraic grids can subsequently be smoothed using an elliptic solver. For elliptic grid systems, the PDE can be in the form of Laplace (zero forcing function) or Poisson. The forcing functions in the Poisson equation come from the boundary or the entire domain of the initial algebraic grids. A graphics interface procedure using the Silicon Graphics (GL) Library is included to allow users to visualize the grid variations at each iteration. This will allow users to interactively modify the grid to match their applications. TDIGG is written in FORTRAN 77 for Silicon Graphics IRIS series computers running IRIX. This package requires either MIT's X Window System, Version 11 Revision 4 or SGI (Motif) Window System. A sample executable is provided on the distribution medium. It requires 148K of RAM for execution. The standard distribution medium is a .25 inch streaming magnetic IRIX tape cartridge in UNIX tar format. This program was developed in 1992.

The International River Interface Cooperative: Public Domain Software for River Flow and Morphodynamics (Invited)

NASA Astrophysics Data System (ADS)

Nelson, J. M.; Shimizu, Y.; McDonald, R.; Takebayashi, H.

2009-12-01

The International River Interface Cooperative is an informal organization made up of academic faculty and government scientists with the goal of developing, distributing and providing education for a public-domain software interface for modeling river flow and morphodynamics. Formed in late 2007, the group released the first version of this interface (iRIC) in late 2009. iRIC includes models for two and three-dimensional flow, sediment transport, bed evolution, groundwater-surface water interaction, topographic data processing, and habitat assessment, as well as comprehensive data and model output visualization, mapping, and editing tools. All the tools in iRIC are specifically designed for use in river reaches and utilize common river data sets. The models are couched within a single graphical user interface so that a broad spectrum of models are available to users without learning new pre- and post-processing tools. The first version of iRIC was developed by combining the USGS public-domain Multi-Dimensional Surface Water Modeling System (MD_SWMS), developed at the USGS Geomorphology and Sediment Transport Laboratory in Golden, Colorado, with the public-domain river modeling code NAYS developed by the Universities of Hokkaido and Kyoto, Mizuho Corporation, and the Foundation of the River Disaster Prevention Research Institute in Sapporo, Japan. Since this initial effort, other Universities and Agencies have joined the group, and the interface has been expanded to allow users to integrate their own modeling code using Executable Markup Language (XML), which provides easy access and expandability to the iRIC software interface. In this presentation, the current components of iRIC are described and results from several practical modeling applications are presented to illustrate the capabilities and flexibility of the software. In addition, some future extensions to iRIC are demonstrated, including software for Lagrangian particle tracking and the prediction of bedform development and response to time-varying flows. Education and supporting documentation for iRIC, including detailed tutorials, are available at www.i-ric.org. The iRIC model codes, interface, and all supporting documentation are in the public domain.

Suggested Courseware for the Non-Calculus Physics Student: Measurement, Vectors, and One-Dimensional Motion.

ERIC Educational Resources Information Center

Mahoney, Joyce; And Others

1988-01-01

Evaluates 16 commercially available courseware packages covering topics for introductory physics. Discusses the price, sub-topics, program type, interaction, time, calculus required, graphics, and comments of each program. Recommends two packages in measurement and vectors, and one-dimensional motion respectively. (YP)

Influence of Trabecular Bone on Peri-Implant Stress and Strain Based on Micro-CT Finite Element Modeling of Beagle Dog

PubMed Central

Liao, Sheng-hui; Zhu, Xing-hao; Xie, Jing; Sohodeb, Vikesh Kumar; Ding, Xi

2016-01-01

The objective of this investigation is to analyze the influence of trabecular microstructure modeling on the biomechanical distribution of the implant-bone interface. Two three-dimensional finite element mandible models, one with trabecular microstructure (a refined model) and one with macrostructure (a simplified model), were built. The values of equivalent stress at the implant-bone interface in the refined model increased compared with those of the simplified model and strain on the contrary. The distributions of stress and strain were more uniform in the refined model of trabecular microstructure, in which stress and strain were mainly concentrated in trabecular bone. It was concluded that simulation of trabecular bone microstructure had a significant effect on the distribution of stress and strain at the implant-bone interface. These results suggest that trabecular structures could disperse stress and strain and serve as load buffers. PMID:27403424

Influence of Trabecular Bone on Peri-Implant Stress and Strain Based on Micro-CT Finite Element Modeling of Beagle Dog.

PubMed

Liao, Sheng-Hui; Zhu, Xing-Hao; Xie, Jing; Sohodeb, Vikesh Kumar; Ding, Xi

2016-01-01

The objective of this investigation is to analyze the influence of trabecular microstructure modeling on the biomechanical distribution of the implant-bone interface. Two three-dimensional finite element mandible models, one with trabecular microstructure (a refined model) and one with macrostructure (a simplified model), were built. The values of equivalent stress at the implant-bone interface in the refined model increased compared with those of the simplified model and strain on the contrary. The distributions of stress and strain were more uniform in the refined model of trabecular microstructure, in which stress and strain were mainly concentrated in trabecular bone. It was concluded that simulation of trabecular bone microstructure had a significant effect on the distribution of stress and strain at the implant-bone interface. These results suggest that trabecular structures could disperse stress and strain and serve as load buffers.

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

Chao, Tian-Jy; Kim, Younghun

An end-to-end interoperability and workflows from building architecture design to one or more simulations, in one aspect, may comprise establishing a BIM enablement platform architecture. A data model defines data entities and entity relationships for enabling the interoperability and workflows. A data definition language may be implemented that defines and creates a table schema of a database associated with the data model. Data management services and/or application programming interfaces may be implemented for interacting with the data model. Web services may also be provided for interacting with the data model via the Web. A user interface may be implemented thatmore » communicates with users and uses the BIM enablement platform architecture, the data model, the data definition language, data management services and application programming interfaces to provide functions to the users to perform work related to building information management.« less

A comparison of successful and failed protein interface designs highlights the challenges of designing buried hydrogen bonds

PubMed Central

Stranges, P Benjamin; Kuhlman, Brian

2013-01-01

The accurate design of new protein–protein interactions is a longstanding goal of computational protein design. However, most computationally designed interfaces fail to form experimentally. This investigation compares five previously described successful de novo interface designs with 158 failures. Both sets of proteins were designed with the molecular modeling program Rosetta. Designs were considered a success if a high-resolution crystal structure of the complex closely matched the design model and the equilibrium dissociation constant for binding was less than 10 μM. The successes and failures represent a wide variety of interface types and design goals including heterodimers, homodimers, peptide-protein interactions, one-sided designs (i.e., where only one of the proteins was mutated) and two-sided designs. The most striking feature of the successful designs is that they have fewer polar atoms at their interfaces than many of the failed designs. Designs that attempted to create extensive sets of interface-spanning hydrogen bonds resulted in no detectable binding. In contrast, polar atoms make up more than 40% of the interface area of many natural dimers, and native interfaces often contain extensive hydrogen bonding networks. These results suggest that Rosetta may not be accurately balancing hydrogen bonding and electrostatic energies against desolvation penalties and that design processes may not include sufficient sampling to identify side chains in preordered conformations that can fully satisfy the hydrogen bonding potential of the interface. PMID:23139141

A comparison of successful and failed protein interface designs highlights the challenges of designing buried hydrogen bonds.

PubMed

Stranges, P Benjamin; Kuhlman, Brian

2013-01-01

The accurate design of new protein-protein interactions is a longstanding goal of computational protein design. However, most computationally designed interfaces fail to form experimentally. This investigation compares five previously described successful de novo interface designs with 158 failures. Both sets of proteins were designed with the molecular modeling program Rosetta. Designs were considered a success if a high-resolution crystal structure of the complex closely matched the design model and the equilibrium dissociation constant for binding was less than 10 μM. The successes and failures represent a wide variety of interface types and design goals including heterodimers, homodimers, peptide-protein interactions, one-sided designs (i.e., where only one of the proteins was mutated) and two-sided designs. The most striking feature of the successful designs is that they have fewer polar atoms at their interfaces than many of the failed designs. Designs that attempted to create extensive sets of interface-spanning hydrogen bonds resulted in no detectable binding. In contrast, polar atoms make up more than 40% of the interface area of many natural dimers, and native interfaces often contain extensive hydrogen bonding networks. These results suggest that Rosetta may not be accurately balancing hydrogen bonding and electrostatic energies against desolvation penalties and that design processes may not include sufficient sampling to identify side chains in preordered conformations that can fully satisfy the hydrogen bonding potential of the interface. Copyright © 2012 The Protein Society.

Aqueous turbulence structure immediately adjacent to the air - water interface and interfacial gas exchange

NASA Astrophysics Data System (ADS)

Wang, Binbin

Air-sea interaction and the interfacial exchange of gas across the air-water interface are of great importance in coupled atmospheric-oceanic environmental systems. Aqueous turbulence structure immediately adjacent to the air-water interface is the combined result of wind, surface waves, currents and other environmental forces and plays a key role in energy budgets, gas fluxes and hence the global climate system. However, the quantification of turbulence structure sufficiently close to the air-water interface is extremely difficult. The physical relationship between interfacial gas exchange and near surface turbulence remains insufficiently investigated. This dissertation aims to measure turbulence in situ in a complex environmental forcing system on Lake Michigan and to reveal the relationship between turbulent statistics and the CO2 flux across the air-water interface. The major objective of this dissertation is to investigate the physical control of the interfacial gas exchange and to provide a universal parameterization of gas transfer velocity from environmental factors, as well as to propose a mechanistic model for the global CO2 flux that can be applied in three dimensional climate-ocean models. Firstly, this dissertation presents an advanced measurement instrument, an in situ free floating Particle Image Velocimetry (FPIV) system, designed and developed to investigate the small scale turbulence structure immediately below the air-water interface. Description of hardware components, design of the system, measurement theory, data analysis procedure and estimation of measurement error were provided. Secondly, with the FPIV system, statistics of small scale turbulence immediately below the air-water interface were investigated under a variety of environmental conditions. One dimensional wave-number spectrum and structure function sufficiently close to the water surface were examined. The vertical profiles of turbulent dissipation rate were intensively studied. Comparison between the turbulence structures measured during the wind wave initiation period and those obtained during the growing period was presented. Significant wave effects on near surface turbulence were found. A universal scaling law was proposed to parameterize turbulent dissipation rate immediately below the air-water interface with friction velocity, significant wave height and wave age. Finally, the gas transfer velocity was measured with a floating chamber (FC) system, along with simultaneously FPIV measurements. Turbulent dissipation rate both at the interface and at a short distance away from the interface (~ 10 cm) were analyzed and used to examine the small scale eddy model. The model coefficient was found to be dependent on the level of turbulence, instead of being a constant. An empirical relationship between the model coefficient and turbulent dissipation rate was provided, which improved the accuracy of the gas transfer velocity estimation by more than 100% for data acquired. Other data from the literature also supported this empirical relation. Furthermore, the relationship between model coefficient and turbulent Reynolds number was also investigated. In addition to physical control of gas exchange, the disturbance on near surface hydrodynamics by the FC was also discussed. Turbulent dissipation rates are enhanced at the short distance away from the interface, while the surface dissipation rates do not change significantly.

Prethermal time crystals in a one-dimensional periodically driven Floquet system

NASA Astrophysics Data System (ADS)

Zeng, Tian-Sheng; Sheng, D. N.

2017-09-01

Motivated by experimental observations of time-symmetry breaking behavior in a periodically driven (Floquet) system, we study a one-dimensional spin model to explore the stability of such Floquet discrete time crystals (DTCs) under the interplay between interaction and the microwave driving. For intermediate interactions and high drivings, from the time evolution of both stroboscopic spin polarization and mutual information between two ends, we show that Floquet DTCs can exist in a prethermal time regime without the tuning of strong disorder. For much weak interactions the system is a symmetry-unbroken phase, while for strong interactions it gives its way to a thermal phase. Through analyzing the entanglement dynamics, we show that large driving fields protect the prethermal DTCs from many-body localization and thermalization. Our results suggest that by increasing the spin interaction, one can drive the experimental system into optimal regime for observing a robust prethermal DTC phase.

Combining techniques for screening and evaluating interaction terms on high-dimensional time-to-event data.

PubMed

Sariyar, Murat; Hoffmann, Isabell; Binder, Harald

2014-02-26

Molecular data, e.g. arising from microarray technology, is often used for predicting survival probabilities of patients. For multivariate risk prediction models on such high-dimensional data, there are established techniques that combine parameter estimation and variable selection. One big challenge is to incorporate interactions into such prediction models. In this feasibility study, we present building blocks for evaluating and incorporating interactions terms in high-dimensional time-to-event settings, especially for settings in which it is computationally too expensive to check all possible interactions. We use a boosting technique for estimation of effects and the following building blocks for pre-selecting interactions: (1) resampling, (2) random forests and (3) orthogonalization as a data pre-processing step. In a simulation study, the strategy that uses all building blocks is able to detect true main effects and interactions with high sensitivity in different kinds of scenarios. The main challenge are interactions composed of variables that do not represent main effects, but our findings are also promising in this regard. Results on real world data illustrate that effect sizes of interactions frequently may not be large enough to improve prediction performance, even though the interactions are potentially of biological relevance. Screening interactions through random forests is feasible and useful, when one is interested in finding relevant two-way interactions. The other building blocks also contribute considerably to an enhanced pre-selection of interactions. We determined the limits of interaction detection in terms of necessary effect sizes. Our study emphasizes the importance of making full use of existing methods in addition to establishing new ones.

Casimir forces between defects in one-dimensional quantum liquids

NASA Astrophysics Data System (ADS)

Recati, A.; Fuchs, J. N.; Peça, C. S.; Zwerger, W.

2005-08-01

We discuss the effective interactions between two localized perturbations in one-dimensional quantum liquids. For noninteracting fermions, the interactions exhibit Friedel oscillations, giving rise to a Ruderman-Kittel-Kasuya-Yosida-type interaction familiar from impurity spins in metals. In the interacting case, at low energies, a Luttinger-liquid description applies. In the case of repulsive fermions, the Friedel oscillations of the interacting system are replaced, at long distances, by a universal Casimir-type interaction which depends only on the sound velocity and decays inversely with the separation. The Casimir-type interaction between localized perturbations embedded in a fermionic environment gives rise to a long-range coupling between quantum dots in ultracold Fermi gases, opening an alternative to couple qubits with neutral atoms. We also briefly discuss the case of bosonic quantum liquids in which the interaction between weak impurities turns out to be short ranged, decaying exponentially on the scale of the healing length.

Static vs. dynamic decoding algorithms in a non-invasive body-machine interface

PubMed Central

Seáñez-González, Ismael; Pierella, Camilla; Farshchiansadegh, Ali; Thorp, Elias B.; Abdollahi, Farnaz; Pedersen, Jessica; Mussa-Ivaldi, Ferdinando A.

2017-01-01

In this study, we consider a non-invasive body-machine interface that captures body motions still available to people with spinal cord injury (SCI) and maps them into a set of signals for controlling a computer user interface while engaging in a sustained level of mobility and exercise. We compare the effectiveness of two decoding algorithms that transform a high-dimensional body-signal vector into a lower dimensional control vector on 6 subjects with high-level SCI and 8 controls. One algorithm is based on a static map from current body signals to the current value of the control vector set through principal component analysis (PCA), the other on dynamic mapping a segment of body signals to the value and the temporal derivatives of the control vector set through a Kalman filter. SCI and control participants performed straighter and smoother cursor movements with the Kalman algorithm during center-out reaching, but their movements were faster and more precise when using PCA. All participants were able to use the BMI’s continuous, two-dimensional control to type on a virtual keyboard and play pong, and performance with both algorithms was comparable. However, seven of eight control participants preferred PCA as their method of virtual wheelchair control. The unsupervised PCA algorithm was easier to train and seemed sufficient to achieve a higher degree of learnability and perceived ease of use. PMID:28092564

Solution to the sign problem in a frustrated quantum impurity model

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

Hann, Connor T., E-mail: connor.hann@yale.edu; Huffman, Emilie; Chandrasekharan, Shailesh

2017-01-15

In this work we solve the sign problem of a frustrated quantum impurity model consisting of three quantum spin-half chains interacting through an anti-ferromagnetic Heisenberg interaction at one end. We first map the model into a repulsive Hubbard model of spin-half fermions hopping on three independent one dimensional chains that interact through a triangular hopping at one end. We then convert the fermion model into an inhomogeneous one dimensional model and express the partition function as a weighted sum over fermion worldline configurations. By imposing a pairing of fermion worldlines in half the space we show that all negative weightmore » configurations can be eliminated. This pairing naturally leads to the original frustrated quantum spin model at half filling and thus solves its sign problem.« less

The evolving interaction of low-frequency earthquakes during transient slip.

PubMed

Frank, William B; Shapiro, Nikolaï M; Husker, Allen L; Kostoglodov, Vladimir; Gusev, Alexander A; Campillo, Michel

2016-04-01

Observed along the roots of seismogenic faults where the locked interface transitions to a stably sliding one, low-frequency earthquakes (LFEs) primarily occur as event bursts during slow slip. Using an event catalog from Guerrero, Mexico, we employ a statistical analysis to consider the sequence of LFEs at a single asperity as a point process, and deduce the level of time clustering from the shape of its autocorrelation function. We show that while the plate interface remains locked, LFEs behave as a simple Poisson process, whereas they become strongly clustered in time during even the smallest slow slip, consistent with interaction between different LFE sources. Our results demonstrate that bursts of LFEs can result from the collective behavior of asperities whose interaction depends on the state of the fault interface.

Theory and Experiment Analysis of Two-Dimensional Acousto-Optic Interaction.

DTIC Science & Technology

1995-01-03

The universal coupled wave equation of two dimensional acousto optic effect has been deduced and the solution of normal Raman-Hath acousto optic diffraction...was derived from it. The theory was compared with the experimental results of a two dimensional acousto optic device consisting of two one dimensional modulators. The experiment results agree with the theory. (AN)

MDTRA: a molecular dynamics trajectory analyzer with a graphical user interface.

PubMed

Popov, Alexander V; Vorobjev, Yury N; Zharkov, Dmitry O

2013-02-05

Most of existing software for analysis of molecular dynamics (MD) simulation results is based on command-line, script-guided processes that require the researchers to have an idea about programming language constructions used, often applied to the one and only product. Here, we describe an open-source cross-platform program, MD Trajectory Reader and Analyzer (MDTRA), that performs a large number of MD analysis tasks assisted with a graphical user interface. The program has been developed to facilitate the process of search and visualization of results. MDTRA can handle trajectories as sets of protein data bank files and presents tools and guidelines to convert some other trajectory formats into such sets. The parameters analyzed by MDTRA include interatomic distances, angles, dihedral angles, angles between planes, one-dimensional and two-dimensional root-mean-square deviation, solvent-accessible area, and so on. As an example of using the program, we describe the application of MDTRA to analyze the MD of formamidopyrimidine-DNA glycosylase, a DNA repair enzyme from Escherichia coli. Copyright © 2012 Wiley Periodicals, Inc.

CycloPs: generating virtual libraries of cyclized and constrained peptides including nonnatural amino acids.

PubMed

Duffy, Fergal J; Verniere, Mélanie; Devocelle, Marc; Bernard, Elise; Shields, Denis C; Chubb, Anthony J

2011-04-25

We introduce CycloPs, software for the generation of virtual libraries of constrained peptides including natural and nonnatural commercially available amino acids. The software is written in the cross-platform Python programming language, and features include generating virtual libraries in one-dimensional SMILES and three-dimensional SDF formats, suitable for virtual screening. The stand-alone software is capable of filtering the virtual libraries using empirical measurements, including peptide synthesizability by standard peptide synthesis techniques, stability, and the druglike properties of the peptide. The software and accompanying Web interface is designed to enable the rapid generation of large, structurally diverse, synthesizable virtual libraries of constrained peptides quickly and conveniently, for use in virtual screening experiments. The stand-alone software, and the Web interface for evaluating these empirical properties of a single peptide, are available at http://bioware.ucd.ie .

Fiber pushout test: A three-dimensional finite element computational simulation

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Chamis, Christos C.

1990-01-01

A fiber pushthrough process was computationally simulated using three-dimensional finite element method. The interface material is replaced by an anisotropic material with greatly reduced shear modulus in order to simulate the fiber pushthrough process using a linear analysis. Such a procedure is easily implemented and is computationally very effective. It can be used to predict fiber pushthrough load for a composite system at any temperature. The average interface shear strength obtained from pushthrough load can easily be separated into its two components: one that comes from frictional stresses and the other that comes from chemical adhesion between fiber and the matrix and mechanical interlocking that develops due to shrinkage of the composite because of phase change during the processing. Step-by-step procedures are described to perform the computational simulation, to establish bounds on interfacial bond strength and to interpret interfacial bond quality.

1DTempPro: analyzing temperature profiles for groundwater/surface-water exchange

USGS Publications Warehouse

Voytek, Emily B.; Drenkelfuss, Anja; Day-Lewis, Frederick D.; Healy, Richard; Lane, John W.; Werkema, Dale D.

2014-01-01

A new computer program, 1DTempPro, is presented for the analysis of vertical one-dimensional (1D) temperature profiles under saturated flow conditions. 1DTempPro is a graphical user interface to the U.S. Geological Survey code Variably Saturated 2-Dimensional Heat Transport (VS2DH), which numerically solves the flow and heat-transport equations. Pre- and postprocessor features allow the user to calibrate VS2DH models to estimate vertical groundwater/surface-water exchange and also hydraulic conductivity for cases where hydraulic head is known.

WHAM!: a web-based visualization suite for user-defined analysis of metagenomic shotgun sequencing data.

PubMed

Devlin, Joseph C; Battaglia, Thomas; Blaser, Martin J; Ruggles, Kelly V

2018-06-25

Exploration of large data sets, such as shotgun metagenomic sequence or expression data, by biomedical experts and medical professionals remains as a major bottleneck in the scientific discovery process. Although tools for this purpose exist for 16S ribosomal RNA sequencing analysis, there is a growing but still insufficient number of user-friendly interactive visualization workflows for easy data exploration and figure generation. The development of such platforms for this purpose is necessary to accelerate and streamline microbiome laboratory research. We developed the Workflow Hub for Automated Metagenomic Exploration (WHAM!) as a web-based interactive tool capable of user-directed data visualization and statistical analysis of annotated shotgun metagenomic and metatranscriptomic data sets. WHAM! includes exploratory and hypothesis-based gene and taxa search modules for visualizing differences in microbial taxa and gene family expression across experimental groups, and for creating publication quality figures without the need for command line interface or in-house bioinformatics. WHAM! is an interactive and customizable tool for downstream metagenomic and metatranscriptomic analysis providing a user-friendly interface allowing for easy data exploration by microbiome and ecological experts to facilitate discovery in multi-dimensional and large-scale data sets.

Plasmonic-Field Interactions at Nanoparticle Interfaces for Infrared Thermal-Shielding Applications Based on Transparent Oxide Semiconductors.

PubMed

Matsui, Hiroaki; Furuta, Shinya; Hasebe, Takayuki; Tabata, Hitoshi

2016-05-11

This paper describes infrared plasmonic responses in three-dimensional (3D) assembled films of In2O3:Sn nanoparticles (NPs). The introduction of surface modifications to NPs can facilitate the production of electric-field interactions between NPs due to the creation of narrow crevices in the NP interfaces. In particular, the electric-field interactions along the in-plane and out-of-plane directions in the 3D assembled NP films allow for resonant splitting of plasmon excitations to the quadrupole and dipole modes, thereby realizing selective high reflections in the near- and mid-infrared range, respectively. The origins of these plasmonic properties were revealed from electric-field distributions calculated by electrodynamic simulations that agreed well with experimental results. The interparticle gaps and their derived plasmon couplings play an important role in producing high reflective performances in assembled NP films. These 3D assemblies of NPs can be further extended to produce large-size flexible films with high infrared reflectance, which simultaneously exhibit microwave transmittance essential for telecommunications. This study provides important insights for harnessing infrared optical responses using plasmonic technology for the fabrication of infrared thermal-shielding applications.

Water-mediated ion-ion interactions are enhanced at the water vapor-liquid interface.

PubMed

Venkateshwaran, Vasudevan; Vembanur, Srivathsan; Garde, Shekhar

2014-06-17

There is overwhelming evidence that ions are present near the vapor-liquid interface of aqueous salt solutions. Charged groups can also be driven to interfaces by attaching them to hydrophobic moieties. Despite their importance in many self-assembly phenomena, how ion-ion interactions are affected by interfaces is not understood. We use molecular simulations to show that the effective forces between small ions change character dramatically near the water vapor-liquid interface. Specifically, the water-mediated attraction between oppositely charged ions is enhanced relative to that in bulk water. Further, the repulsion between like-charged ions is weaker than that expected from a continuum dielectric description and can even become attractive as the ions are drawn to the vapor side. We show that thermodynamics of ion association are governed by a delicate balance of ion hydration, interfacial tension, and restriction of capillary fluctuations at the interface, leading to nonintuitive phenomena, such as water-mediated like charge attraction. "Sticky" electrostatic interactions may have important consequences on biomolecular structure, assembly, and aggregation at soft liquid interfaces. We demonstrate this by studying an interfacially active model peptide that changes its structure from α-helical to a hairpin-turn-like one in response to charging of its ends.

Water-mediated ion–ion interactions are enhanced at the water vapor–liquid interface

PubMed Central

Venkateshwaran, Vasudevan; Vembanur, Srivathsan; Garde, Shekhar

2014-01-01

There is overwhelming evidence that ions are present near the vapor–liquid interface of aqueous salt solutions. Charged groups can also be driven to interfaces by attaching them to hydrophobic moieties. Despite their importance in many self-assembly phenomena, how ion–ion interactions are affected by interfaces is not understood. We use molecular simulations to show that the effective forces between small ions change character dramatically near the water vapor–liquid interface. Specifically, the water-mediated attraction between oppositely charged ions is enhanced relative to that in bulk water. Further, the repulsion between like-charged ions is weaker than that expected from a continuum dielectric description and can even become attractive as the ions are drawn to the vapor side. We show that thermodynamics of ion association are governed by a delicate balance of ion hydration, interfacial tension, and restriction of capillary fluctuations at the interface, leading to nonintuitive phenomena, such as water-mediated like charge attraction. “Sticky” electrostatic interactions may have important consequences on biomolecular structure, assembly, and aggregation at soft liquid interfaces. We demonstrate this by studying an interfacially active model peptide that changes its structure from α-helical to a hairpin-turn–like one in response to charging of its ends. PMID:24889634

Long-Lived Charge Separation at Heterojunctions between Semiconducting Single-Walled Carbon Nanotubes and Perylene Diimide Electron Acceptors

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

Kang, Hyun Suk; Sisto, Thomas J.; Peurifoy, Samuel

Nonfullerene electron acceptors have facilitated a recent surge in the efficiencies of organic solar cells, although fundamental studies of the nature of exciton dissociation at interfaces with nonfullerene electron acceptors are still relatively sparse. Semiconducting single-walled carbon nanotubes (s-SWCNTs), unique one-dimensional electron donors with molecule-like absorption and highly mobile charges, provide a model system for studying interfacial exciton dissociation. Here, we investigate excited-state photodynamics at the heterojunction between (6,5) s-SWCNTs and two perylene diimide (PDI)-based electron acceptors. Each of the PDI-based acceptors, hPDI2-pyr-hPDI2 and Trip-hPDI2, is deposited onto (6,5) s-SWCNT films to form a heterojunction bilayer. Transient absorption measurements demonstratemore » that photoinduced hole/electron transfer occurs at the photoexcited bilayer interfaces, producing long-lived separated charges with lifetimes exceeding 1.0 us. Both exciton dissociation and charge recombination occur more slowly for the hPDI2-pyr-hPDI2 bilayer than for the Trip-hPDI2 bilayer. To explain such differences, we discuss the potential roles of the thermodynamic charge transfer driving force available at each interface and the different molecular structure and intermolecular interactions of PDI-based acceptors. As a result, detailed photophysical analysis of these model systems can develop the fundamental understanding of exciton dissociation between organic electron donors and nonfullerene acceptors, which has not been systematically studied.« less

Long-Lived Charge Separation at Heterojunctions between Semiconducting Single-Walled Carbon Nanotubes and Perylene Diimide Electron Acceptors

DOE PAGES

Kang, Hyun Suk; Sisto, Thomas J.; Peurifoy, Samuel; ...

2018-04-13

Nonfullerene electron acceptors have facilitated a recent surge in the efficiencies of organic solar cells, although fundamental studies of the nature of exciton dissociation at interfaces with nonfullerene electron acceptors are still relatively sparse. Semiconducting single-walled carbon nanotubes (s-SWCNTs), unique one-dimensional electron donors with molecule-like absorption and highly mobile charges, provide a model system for studying interfacial exciton dissociation. Here, we investigate excited-state photodynamics at the heterojunction between (6,5) s-SWCNTs and two perylene diimide (PDI)-based electron acceptors. Each of the PDI-based acceptors, hPDI2-pyr-hPDI2 and Trip-hPDI2, is deposited onto (6,5) s-SWCNT films to form a heterojunction bilayer. Transient absorption measurements demonstratemore » that photoinduced hole/electron transfer occurs at the photoexcited bilayer interfaces, producing long-lived separated charges with lifetimes exceeding 1.0 us. Both exciton dissociation and charge recombination occur more slowly for the hPDI2-pyr-hPDI2 bilayer than for the Trip-hPDI2 bilayer. To explain such differences, we discuss the potential roles of the thermodynamic charge transfer driving force available at each interface and the different molecular structure and intermolecular interactions of PDI-based acceptors. As a result, detailed photophysical analysis of these model systems can develop the fundamental understanding of exciton dissociation between organic electron donors and nonfullerene acceptors, which has not been systematically studied.« less

iHand: an interactive bare-hand-based augmented reality interface on commercial mobile phones

NASA Astrophysics Data System (ADS)

Choi, Junyeong; Park, Jungsik; Park, Hanhoon; Park, Jong-Il

2013-02-01

The performance of mobile phones has rapidly improved, and they are emerging as a powerful platform. In many vision-based applications, human hands play a key role in natural interaction. However, relatively little attention has been paid to the interaction between human hands and the mobile phone. Thus, we propose a vision- and hand gesture-based interface in which the user holds a mobile phone in one hand but sees the other hand's palm through a built-in camera. The virtual contents are faithfully rendered on the user's palm through palm pose estimation, and reaction with hand and finger movements is achieved that is recognized by hand shape recognition. Since the proposed interface is based on hand gestures familiar to humans and does not require any additional sensors or markers, the user can freely interact with virtual contents anytime and anywhere without any training. We demonstrate that the proposed interface works at over 15 fps on a commercial mobile phone with a 1.2-GHz dual core processor and 1 GB RAM.

Exact solution of a one-dimensional model of strained epitaxy on a periodically modulated substrate

NASA Astrophysics Data System (ADS)

Tokar, V. I.; Dreyssé, H.

2005-03-01

We consider a one-dimensional lattice gas model of strained epitaxy with the elastic strain accounted for through a finite number of cluster interactions comprising contiguous atomic chains. Interactions of this type arise in the models of strained epitaxy based on the Frenkel-Kontorova model. Furthermore, the deposited atoms interact with the substrate via an arbitrary periodic potential of period L . This model is solved exactly with the use of an appropriately adopted technique developed recently in the theory of protein folding. The advantage of the proposed approach over the standard transfer-matrix method is that it reduces the problem to finding the largest eigenvalue of a matrix of size L instead of 2L-1 , which is vital in the case of nanostructures where L may measure in hundreds of interatomic distances. Our major conclusion is that the substrate modulation always facilitates the size calibration of self-assembled nanoparticles in one- and two-dimensional systems.

An object-oriented and quadrilateral-mesh based solution adaptive algorithm for compressible multi-fluid flows

NASA Astrophysics Data System (ADS)

Zheng, H. W.; Shu, C.; Chew, Y. T.

2008-07-01

In this paper, an object-oriented and quadrilateral-mesh based solution adaptive algorithm for the simulation of compressible multi-fluid flows is presented. The HLLC scheme (Harten, Lax and van Leer approximate Riemann solver with the Contact wave restored) is extended to adaptively solve the compressible multi-fluid flows under complex geometry on unstructured mesh. It is also extended to the second-order of accuracy by using MUSCL extrapolation. The node, edge and cell are arranged in such an object-oriented manner that each of them inherits from a basic object. A home-made double link list is designed to manage these objects so that the inserting of new objects and removing of the existing objects (nodes, edges and cells) are independent of the number of objects and only of the complexity of O( 1). In addition, the cells with different levels are further stored in different lists. This avoids the recursive calculation of solution of mother (non-leaf) cells. Thus, high efficiency is obtained due to these features. Besides, as compared to other cell-edge adaptive methods, the separation of nodes would reduce the memory requirement of redundant nodes, especially in the cases where the level number is large or the space dimension is three. Five two-dimensional examples are used to examine its performance. These examples include vortex evolution problem, interface only problem under structured mesh and unstructured mesh, bubble explosion under the water, bubble-shock interaction, and shock-interface interaction inside the cylindrical vessel. Numerical results indicate that there is no oscillation of pressure and velocity across the interface and it is feasible to apply it to solve compressible multi-fluid flows with large density ratio (1000) and strong shock wave (the pressure ratio is 10,000) interaction with the interface.

Kardar-Parisi-Zhang universality in the phase distributions of one-dimensional exciton-polaritons

NASA Astrophysics Data System (ADS)

Squizzato, Davide; Canet, Léonie; Minguzzi, Anna

2018-05-01

Exciton-polaritons under driven-dissipative conditions exhibit a condensation transition that belongs to a different universality class from that of equilibrium Bose-Einstein condensates. By numerically solving the generalized Gross-Pitaevskii equation with realistic experimental parameters, we show that one-dimensional exciton-polaritons display fine features of Kardar-Parisi-Zhang (KPZ) dynamics. Beyond the scaling exponents, we show that their phase distribution follows the Tracy-Widom form predicted for KPZ growing interfaces. We moreover evidence a crossover to the stationary Baik-Rains statistics. We finally show that these features are unaffected on a certain timescale by the presence of a smooth disorder often present in experimental setups.

Suppression of the two-dimensional electron gas in LaGaO3/SrTiO3 by cation intermixing

PubMed Central

Nazir, S.; Amin, B.; Schwingenschlögl, U.

2013-01-01

Cation intermixing at the n-type polar LaGaO3/SrTiO3 (001) interface is investigated by first principles calculations. Ti⇔Ga, Sr⇔La, and SrTi⇔LaGa intermixing are studied in comparison to each other, with a focus on the interface stability. We demonstrate in which cases intermixing is energetically favorable as compared to a clean interface. A depopulation of the Ti 3dxy orbitals under cation intermixing is found, reflecting a complete suppression of the two-dimensional electron gas present at the clean interface. PMID:24296477

Carbon nanoscroll-silk crystallite hybrid structures with controllable hydration and mechanical properties.

PubMed

Cheng, Yuan; Koh, Leng-Duei; Wang, Fan; Li, Dechang; Ji, Baohua; Yeo, Jingjie; Guan, Guijian; Han, Ming-Yong; Zhang, Yong-Wei

2017-07-06

Hybrid structures of nanomaterials (e.g. tubes, scrolls, threads, cages) and biomaterials (e.g. proteins) hold tremendous potential for applications as drug carriers, biosensors, tissue scaffolds, cancer therapeutic agents, etc. However, in many cases, the interacting forces at the nano-bio interfaces and their roles in controlling the structures and dynamics of nano-bio-hybrid systems are very complicated but poorly understood. In this study, we investigate the structure and mechanical behavior of a protein-based hybrid structure, i.e., a carbon nanoscroll (CNS)-silk crystallite with a hydration level controllable by an interlayer interaction in CNS. Our findings demonstrate that CNS with a reduced core size not only shields the crystallite from a weakening effect of water, but also markedly strengthens the crystallite. Besides water shielding, the enhanced strength arises from an enhanced interaction between the crystallite and CNS due to the enhanced interlayer interaction in CNS. In addition, the interfacial strength for pulling the crystallite out of the CNS-silk structure is found to be dependent on both the interlayer interaction energy in CNS as well as the sequence of protein at the CNS-silk interface. The present study is of significant value in designing drugs or protein delivery vehicles for biomedical applications, and serves as a general guide in designing novel devices based on rolled-up configurations of two-dimensional (2D) materials.

Quantum droplet of one-dimensional bosons with a three-body attraction

NASA Astrophysics Data System (ADS)

Sekino, Yuta; Nishida, Yusuke

2018-01-01

Ultracold atoms offer valuable opportunities where interparticle interactions can be controlled at will. In particular, by extinguishing the two-body interaction, one can realize unique systems governed by the three-body interaction, which is otherwise hidden behind the two-body interaction. Here we study one-dimensional bosons with a weak three-body attraction and show that they form few-body bound states as well as a many-body droplet stabilized by the quantum mechanical effect. Their binding energies relative to that of three bosons are all universal and the ground-state energy of the dilute droplet is found to grow exponentially as EN/E3→exp(8 N2/√{3 }π ) with increasing particle number N ≫1 . The realization of our system with coupled two-component bosons in an optical lattice is also discussed.

Micro/nanofabricated environments for synthetic biology.

PubMed

Collier, C Patrick; Simpson, Michael L

2011-08-01

A better understanding of how confinement, crowding and reduced dimensionality modulate reactivity and reaction dynamics will aid in the rational and systematic discovery of functionality in complex biological systems. Artificial microfabricated and nanofabricated structures have helped elucidate the effects of nanoscale spatial confinement and segregation on biological behavior, particularly when integrated with microfluidics, through precise control in both space and time of diffusible signals and binding interactions. Examples of nanostructured interfaces for synthetic biology include the development of cell-like compartments for encapsulating biochemical reactions, nanostructured environments for fundamental studies of diffusion, molecular transport and biochemical reaction kinetics, and regulation of biomolecular interactions as functions of microfabricated and nanofabricated topological constraints. Copyright © 2011 Elsevier Ltd. All rights reserved.

One-dimensional pressure transfer models for acoustic-electric transmission channels

NASA Astrophysics Data System (ADS)

Wilt, K. R.; Lawry, T. J.; Scarton, H. A.; Saulnier, G. J.

2015-09-01

A method for modeling piezoelectric-based ultrasonic acoustic-electric power and data transmission channels is presented. These channels employ piezoelectric disk transducers to convey signals across a series of physical layers using ultrasonic waves. This model decomposes the mechanical pathway of the signal into individual ultrasonic propagation layers which are generally independent of the layer's adjacent domains. Each layer is represented by a two-by-two traveling pressure wave transfer matrix which relates the forward and reverse pressure waves on one side of the layer to the pressure waves on the opposite face, where each face is assumed to be in contact with a domain of arbitrary reference acoustic impedance. A rigorous implementation of ultrasonic beam spreading is introduced and implemented within applicable domains. Compatible pressure-wave models for piezoelectric transducers are given, which relate the electric voltage and current interface of the transducer to the pressure waves on one mechanical interface while also allowing for passive acoustic loading of the secondary mechanical interface. It is also shown that the piezoelectric model's electrical interface is compatible with transmission line parameters (ABCD-parameters), allowing for connection of electronic components and networks. The model is shown to be capable of reproducing the behavior of realistic physical channels.

Emotion scents: a method of representing user emotions on GUI widgets

NASA Astrophysics Data System (ADS)

Cernea, Daniel; Weber, Christopher; Ebert, Achim; Kerren, Andreas

2013-01-01

The world of desktop interfaces has been dominated for years by the concept of windows and standardized user interface (UI) components. Still, while supporting the interaction and information exchange between the users and the computer system, graphical user interface (GUI) widgets are rather one-sided, neglecting to capture the subjective facets of the user experience. In this paper, we propose a set of design guidelines for visualizing user emotions on standard GUI widgets (e.g., buttons, check boxes, etc.) in order to enrich the interface with a new dimension of subjective information by adding support for emotion awareness as well as post-task analysis and decision making. We highlight the use of an EEG headset for recording the various emotional states of the user while he/she is interacting with the widgets of the interface. We propose a visualization approach, called emotion scents, that allows users to view emotional reactions corresponding to di erent GUI widgets without in uencing the layout or changing the positioning of these widgets. Our approach does not focus on highlighting the emotional experience during the interaction with an entire system, but on representing the emotional perceptions and reactions generated by the interaction with a particular UI component. Our research is motivated by enabling emotional self-awareness and subjectivity analysis through the proposed emotionenhanced UI components for desktop interfaces. These assumptions are further supported by an evaluation of emotion scents.

Orbital operations study. Appendix A: Interactivity analysis

NASA Technical Reports Server (NTRS)

1972-01-01

Supplemental analyses conducted to verify that safe, feasible, design concepts exist for accomplishing the attendant interface activities of the orbital operations mission are presented. The data are primarily concerned with functions and concepts common to more than one of the interfacing activities or elements. Specific consideration is given to state vector update, payload deployment, communications links, jet plume impingement, attached element operations, docking and structural interface assessment, and propellant transfer.

The Investigation of Ghost Fluid Method for Simulating the Compressible Two-Medium Flow

NASA Astrophysics Data System (ADS)

Lu, Hai Tian; Zhao, Ning; Wang, Donghong

2016-06-01

In this paper, we investigate the conservation error of the two-dimensional compressible two-medium flow simulated by the front tracking method. As the improved versions of the original ghost fluid method, the modified ghost fluid method and the real ghost fluid method are selected to define the interface boundary conditions, respectively, to show different effects on the conservation error. A Riemann problem is constructed along the normal direction of the interface in the front tracking method, with the goal of obtaining an efficient procedure to track the explicit sharp interface precisely. The corresponding Riemann solutions are also used directly in these improved ghost fluid methods. Extensive numerical examples including the sod tube and the shock-bubble interaction are tested to calculate the conservation error. It is found that these two ghost fluid methods have distinctive performances for different initial conditions of the flow field, and the related conclusions are made to suggest the best choice for the combination.

Development of a stereoscopic three-dimensional drawing application

NASA Astrophysics Data System (ADS)

Carver, Donald E.; McAllister, David F.

1991-08-01

With recent advances in 3-D technology, computer users have the opportunity to work within a natural 3-D environment; a flat panel LCD computer display of this type, the DTI-100M made by Dimension Technologies, Inc., recently went on the market. In a joint venture between DTI and NCSU, an object-oriented 3-D drawing application, 3-D Draw, was developed to address some issues of human interface design for interactive stereo drawing applications. The focus of this paper is to determine some of the procedures a user would naturally expect to follow while working within a true 3-D environment. The paper discusses (1) the interface between the Macintosh II and DTI-100M during implementation of 3-D Draw, including stereo cursor development and presentation of current 2-D systems, with an additional `depth'' parameter, in the 3-D world, (2) problems in general for human interface into the 3-D environment, and (3) necessary functions and/or problems in developing future stereoscopic 3-D operating systems/tools.

Topological Superfluid and Majorana Zero Modes in Synthetic Dimension

PubMed Central

Yan, Zhongbo; Wan, Shaolong; Wang, Zhong

2015-01-01

Recently it has been shown that multicomponent spin-orbit-coupled fermions in one-dimensional optical lattices can be viewed as spinless fermions moving in two-dimensional synthetic lattices with synthetic magnetic flux. The quantum Hall edge states in these systems have been observed in recent experiments. In this paper we study the effect of an attractive Hubbard interaction. Since the Hubbard interaction is long-range in the synthetic dimension, it is able to efficiently induce Cooper pairing between the counterpropagating chiral edge states. The topological class of the resultant one-dimensional superfluid is determined by the parity (even/odd) of the Chern number in the two-dimensional synthetic lattice. We also show the presence of a chiral symmetry in our model, which implies Z classification and the robustness of multiple zero modes when this symmetry is unbroken. PMID:26515084

Hillslope characterization in terms of geophysical units based on the joint interpretation of electrical resistivity and seismic velocity data

NASA Astrophysics Data System (ADS)

Feskova, Tatiana; Dietrich, Peter

2015-04-01

Hydrological conditions in a catchment depend on many factors such as climatic, geological, geomorphological, biological and human, which interact with each other and influence water balance in a catchment. This interaction leads to the subordination in the landscape structure, namely the weak elements subordinate to the powerful elements. Thereby, geological and geomorphological factors play an essential role in catchment development and organization. A hillslope consequently can be allocated to one class of the representative units because the important flow processes run at the hillslope. Moreover, a hillslope can be subdivided into stratigraphic subsurface units and significant hillslope areas based on the lithological change of contrasting interfaces. The knowledge of subsurface structures is necessary to understand and predicate complex hydrological processes in a catchment. Geophysical techniques provide a good opportunity to explore the subsurface. A complete geophysical investigation of subsurface in a catchment with difficult environmental conditions never will be achieved because of large time effort in the field, equipment logistic, and ambiguity in the data interpretation. The case study demonstrates how a catchment can be investigated using geophysical methods in an effective manner in terms of characterization of representative units with respect to a functional role in the catchment. This case study aims to develop combined resistivity and seismic velocity hillslope subsurface models for the distinction of representative functional units. In order to identify the contrasting interfaces of the hillslope, to localize significant hillslope areas, and to address the ambiguity in the geophysical data interpretation, the case study combined resistivity surveys (vertical electrical soundings and electrical resistivity tomography) with refraction seismic method, and conducted these measurements at one single profile along the hillslope transect and perpendicular to this transect. The measurements along the hillslope transect deliver the two-dimensional hillslope section of resistivity and seismic velocity distribution with contrasting stratigraphic interfaces, whereas the measurements perpendicular to the hillslope transect obtained from vertical electrical soundings survey localize significant hillslope areas indicating existence of two-dimensional features in the subsurface. To demonstrate the suitability of the suggested approach, resistivity and refraction seismic measurements were carried out at the forested gently inclined hillslope in the Weierbach catchment, which belongs to the hydrological observatory Attert Basin locating in the mid-western part of the Grand-Duchy of Luxembourg. This hillslope is characterized by Pleistocene periglacial slope deposits, which plays an important role in the ecosystem functioning. The obtained resistivity and seismic hillslope models of the Weierbech catchment complement well one another. The hillslope models identify three significant hillslope areas along the hillslope called as elementary functional units, and four electrical vertical stratigraphic units and two seismic vertical stratigraphic units that agree with lithological stratigraphy of this study site. In conclusions, the suggested geophysical approach is suitable to characterise a hillslope as the representative unit only at a single transect in the efficient manner in contrast to the expensive 3D-measurements.

The interaction of bubbles with solidification interfaces. [during coasting phase of sounding rocket flight

NASA Technical Reports Server (NTRS)

Papazian, J. M.; Wilcox, W. R.

1977-01-01

The behavior of bubbles at a dendritic solidification interface was studied during the coasting phase of a sounding rocket flight. Sequential photographs of the gradient freeze experiment showed nucleation, growth and coalescence of bubbles at the moving interface during both the low-gravity and one-gravity tests. In the one-gravity test the bubbles were observed to detach from the interface and float to the top of the melt. However, in the low-gravity tests no bubble detachment from the interface or steady state bubble motion occurred and large voids were grown into the crystal. These observations are discussed in terms of the current theory of thermal migration of bubbles and in terms of their implications on the space processing of metals.

Interface tension in the improved Blume-Capel model

NASA Astrophysics Data System (ADS)

Hasenbusch, Martin

2017-09-01

We study interfaces with periodic boundary conditions in the low-temperature phase of the improved Blume-Capel model on the simple cubic lattice. The interface free energy is defined by the difference of the free energy of a system with antiperiodic boundary conditions in one of the directions and that of a system with periodic boundary conditions in all directions. It is obtained by integration of differences of the corresponding internal energies over the inverse temperature. These differences can be computed efficiently by using a variance reduced estimator that is based on the exchange cluster algorithm. The interface tension is obtained from the interface free energy by using predictions based on effective interface models. By using our numerical results for the interface tension σ and the correlation length ξ obtained in previous work, we determine the universal amplitude ratios R2 nd ,+=σ0f2nd ,+ 2=0.3863 (6 ) , R2 nd ,-=σ0f2nd ,- 2=0.1028 (1 ) , and Rexp ,-=σ0fexp,- 2=0.1077 (3 ) . Our results are consistent with those obtained previously for the three-dimensional Ising model, confirming the universality hypothesis.

Numerical study of supersonic combustors by multi-block grids with mismatched interfaces

NASA Technical Reports Server (NTRS)

Moon, Young J.

1990-01-01

A three dimensional, finite rate chemistry, Navier-Stokes code was extended to a multi-block code with mismatched interface for practical calculations of supersonic combustors. To ensure global conservation, a conservative algorithm was used for the treatment of mismatched interfaces. The extended code was checked against one test case, i.e., a generic supersonic combustor with transverse fuel injection, examining solution accuracy, convergence, and local mass flux error. After testing, the code was used to simulate the chemically reacting flow fields in a scramjet combustor with parallel fuel injectors (unswept and swept ramps). Computational results were compared with experimental shadowgraph and pressure measurements. Fuel-air mixing characteristics of the unswept and swept ramps were compared and investigated.

Instability of the sliding Luttinger liquid

NASA Astrophysics Data System (ADS)

Fleurov, V.; Kagalovsky, V.; Lerner, I. V.; Yurkevich, I. V.

2018-05-01

We revise a phase diagram for the sliding Luttinger liquid (SLL) of coupled one-dimensional quantum wires packed in two- or three-dimensional arrays in the absence of a magnetic field. We analyse whether physically justifiable (reasonable) inter-wire interactions, i.e. either the screened Coulomb or ‘Coulomb-blockade’ type interactions, stabilise the SLL phase. Calculating the scaling dimensions of the most relevant perturbations (the inter-wire single-particle hybridisation, charge-density wave, and superconducting inter-wire couplings), we find that their combination always destroys the SLL phase for the repulsive intra-wire interaction. However, suppressing the inter-wire tunnelling of repulsive fermions (when the charge-density wave is the only remaining perturbation), one can observe a stability region emerging due to the inter-wire forward scattering interaction.

The Calabrian Arc: three-dimensional modelling of the subduction interface.

PubMed

Maesano, Francesco E; Tiberti, Mara M; Basili, Roberto

2017-08-21

The Calabrian Arc is a one-of-a-kind subduction zone, featuring one of the shortest slab segments (<150 km), one of the thickest accretionary wedges, and one of the oldest oceanic crust in the world. Despite a convergence rate of up to 5 mm/y and well-known intraslab seismicity below 40 km, its shallow interface shows little signs of seismic activity. Nonetheless, it has been attributed as generating historical large earthquakes and tsunamis. To gain insights into this subduction zone, we first made a geological reconstruction of the shallower slab interface (<20 km) and its overlying accretionary wedge by interpreting a grid of 54 seismic reflection lines (8,658 km) with 438 intersections within an area of 10 5  km 2 . Then, we constrained a deeper portion of the slab surface (40-350 km) using the seismicity distribution. Finally, we interpolated the two parts to obtain a seamless 3D surface highlighting geometric details of the subduction interface, its lateral terminations and down-dip curvature, and a slab tear at 70-100 km depth. Our 3D slab model of the Calabrian Arc will contribute to understanding of the geodynamics of a cornerstone in the Mediterranean tectonic puzzle and estimates of seismic and tsunami hazards in the region.

A one-dimensional nickel(II) coordination polymer containing 2,6-dipicolinate and dipyrido[3,2-a:2',3'-c]phenazine.

PubMed

Ma, Yi; Zhang, Li-Tian; Wang, Xiao-Fang; He, Yong-Ke; Han, Zheng-Bo

2007-12-01

A new coordination polymer, catena-poly[[(dipyrido[3,2-a:2',3'-c]phenazine-kappa(2)N,N')nickel(II)]-mu-2,6-dipicolinato-kappa(4)O(2),N,O(6):O(2')], [Ni(C7H3NO4)(C18H10N4)]n, exhibits a one-dimensional structure in which 2,6-dipicolinate acts as a bridging ligand interconnecting adjacent nickel(II) centers to form a chain structure. The asymmetric unit contains one Ni(II) center, one dipyrido[3,2-a:2',3'-c]phenazine ligand and one 2,6-dipicolinate ligand. Each Ni(II) center is six-coordinated and surrounded by three N atoms and three O atoms from one dipyrido[3,2-a:2',3'-c]phenazine ligand and two different 2,6-dipicolinate ligands, leading to a distorted octahedral geometry. Adjacent chains are linked by pi-pi stacking interactions and weak interactions to form a three-dimensional supramolecular network.

Resonant tunneling of 1-dimensional electrons across an array of 3-dimensionally confined potential wells

NASA Astrophysics Data System (ADS)

Allee, D. R.; Chou, S. Y.; Harris, J. S.; Pease, R. F. W.

A lateral resonant tunneling field effect transistor has been fabricated with a gate electrode in the form of a railway such that the two rails form a lateral double barrier potential at the GaAs/AlGaAs interface. The ties confine the electrons in the third dimension forming an array of potential boxes or three dimensionally confined potential wells. The width of the ties and rails is 50nm; the spacings between the ties and between the two rails are 230nm and 150nm respectively. The ties are 750nm long and extend beyond the the two rails forming one dimensional wires on either side. Conductance oscillations are observed in the drain current at 4.2K as the gate voltage is scanned. Comparison with devices with a solid gate, and with a monorail gate with ties fabricated on the same wafer suggest that these conductance oscillations are electron resonant tunneling from one dimensional wires through the quasi-bound states of the three dimensionally confined potential wells. Comparison with a device with a two rail gate without ties (previously published) indicates that additional confinement due to the ties enhances the strength of the conductance oscillations.

A finite-element model for moving contact line problems in immiscible two-phase flow

NASA Astrophysics Data System (ADS)

Kucala, Alec

2017-11-01

Accurate modeling of moving contact line (MCL) problems is imperative in predicting capillary pressure vs. saturation curves, permeability, and preferential flow paths for a variety of applications, including geological carbon storage (GCS) and enhanced oil recovery (EOR). The macroscale movement of the contact line is dependent on the molecular interactions occurring at the three-phase interface, however most MCL problems require resolution at the meso- and macro-scale. A phenomenological model must be developed to account for the microscale interactions, as resolving both the macro- and micro-scale would render most problems computationally intractable. Here, a model for the moving contact line is presented as a weak forcing term in the Navier-Stokes equation and applied directly at the location of the three-phase interface point. The moving interface is tracked with the level set method and discretized using the conformal decomposition finite element method (CDFEM), allowing for the surface tension and the wetting model to be computed at the exact interface location. A variety of verification test cases for simple two- and three-dimensional geometries are presented to validate the current MCL model, which can exhibit grid independence when a proper scaling for the slip length is chosen. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525.

Hydroelastic behaviour of a structure exposed to an underwater explosion.

PubMed

Colicchio, G; Greco, M; Brocchini, M; Faltinsen, O M

2015-01-28

The hydroelastic interaction between an underwater explosion and an elastic plate is investigated num- erically through a domain-decomposition strategy. The three-dimensional features of the problem require a large computational effort, which is reduced through a weak coupling between a one-dimensional radial blast solver, which resolves the blast evolution far from the boundaries, and a three-dimensional compressible flow solver used where the interactions between the compression wave and the boundaries take place and the flow becomes three-dimensional. The three-dimensional flow solver at the boundaries is directly coupled with a modal structural solver that models the response of the solid boundaries like elastic plates. This enables one to simulate the fluid-structure interaction as a strong coupling, in order to capture hydroelastic effects. The method has been applied to the experimental case of Hung et al. (2005 Int. J. Impact Eng. 31, 151-168 (doi:10.1016/j.ijimpeng.2003.10.039)) with explosion and structure sufficiently far from other boundaries and successfully validated in terms of the evolution of the acceleration induced on the plate. It was also used to investigate the interaction of an underwater explosion with the bottom of a close-by ship modelled as an orthotropic plate. In the application, the acoustic phase of the fluid-structure interaction is examined, highlighting the need of the fluid-structure coupling to capture correctly the possible inception of cavitation. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

[Influence of trabecular microstructure modeling on finite element analysis of dental implant].

PubMed

Shen, M J; Wang, G G; Zhu, X H; Ding, X

2016-09-01

To analyze the influence of trabecular microstructure modeling on the biomechanical distribution of implant-bone interface with a three-dimensional finite element mandible model of trabecular structure. Dental implants were embeded in the mandibles of a beagle dog. After three months of the implant installation, the mandibles with dental implants were harvested and scaned by micro-CT and cone-beam CT. Two three-dimensional finite element mandible models, trabecular microstructure(precise model) and macrostructure(simplified model), were built. The values of stress and strain of implant-bone interface were calculated using the software of Ansys 14.0. Compared with the simplified model, the precise models' average values of the implant bone interface stress increased obviously and its maximum values did not change greatly. The maximum values of quivalent stress of the precise models were 80% and 110% of the simplified model and the average values were 170% and 290% of simplified model. The maximum and average values of equivalent strain of precise models were obviously decreased, and the maximum values of the equivalent effect strain were 17% and 26% of simplified model and the average ones were 21% and 16% of simplified model respectively. Stress and strain concentrations at implant-bone interface were obvious in the simplified model. However, the distributions of stress and strain were uniform in the precise model. The precise model has significant effect on the distribution of stress and strain at implant-bone interface.

Do Interactive Globes and Games Help Students Learn Planetary Science?

NASA Astrophysics Data System (ADS)

Coba, Filis; Burgin, Stephen; De Paor, Declan; Georgen, Jennifer

2016-01-01

The popularity of animations and interactive visualizations in undergraduate science education might lead one to assume that these teaching aids enhance student learning. We tested this assumption for the case of the Google Earth virtual globe with a comparison of control and treatment student groups in a general education class of over 370 students at a large public university. Earth and Planetary Science course content was developed in two formats: using Keyhole Markup Language (KML) to create interactive tours in Google Earth (the treatment group) and Portable Document Format (PDF) for on-screen reading (the control group). The PDF documents contained identical text and images to the placemark balloons or "tour stops" in the Google Earth version. Some significant differences were noted between the two groups based on the immediate post-questionnaire with the KML students out-performing the PDF students, but not on the delayed measure. In a separate but related project, we undertake preliminary investigations into methods of teaching basic concepts in planetary mantle convection using numerical simulations. The goal of this project is to develop an interface with a two-dimensional finite element model that will allow students to vary parameters such as the temperatures assigned to the boundaries of the model domain, to help them actively explore important variables that control convection.

Brain-Computer Interfaces: A Neuroscience Paradigm of Social Interaction? A Matter of Perspective

PubMed Central

Mattout, Jérémie

2012-01-01

A number of recent studies have put human subjects in true social interactions, with the aim of better identifying the psychophysiological processes underlying social cognition. Interestingly, this emerging Neuroscience of Social Interactions (NSI) field brings up challenges which resemble important ones in the field of Brain-Computer Interfaces (BCI). Importantly, these challenges go beyond common objectives such as the eventual use of BCI and NSI protocols in the clinical domain or common interests pertaining to the use of online neurophysiological techniques and algorithms. Common fundamental challenges are now apparent and one can argue that a crucial one is to develop computational models of brain processes relevant to human interactions with an adaptive agent, whether human or artificial. Coupled with neuroimaging data, such models have proved promising in revealing the neural basis and mental processes behind social interactions. Similar models could help BCI to move from well-performing but offline static machines to reliable online adaptive agents. This emphasizes a social perspective to BCI, which is not limited to a computational challenge but extends to all questions that arise when studying the brain in interaction with its environment. PMID:22675291

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

NASA Technical Reports Server (NTRS)

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

1990-01-01

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

Controlling the electronic and geometric structures of 2D insertions to realize high performance metal/insertion-MoS2 sandwich interfaces.

PubMed

Su, Jie; Feng, Liping; Zeng, Wei; Liu, Zhengtang

2017-06-08

Metal/insertion-MoS 2 sandwich interfaces are designed to reduce the Schottky barriers at metal-MoS 2 interfaces. The effects of geometric and electronic structures of two-dimensional (2D) insertion materials on the contact properties of metal/insertion-MoS 2 interfaces are comparatively studied by first-principles calculations. Regardless of the geometric and electronic structures of 2D insertion materials, Fermi level pinning effects and charge scattering at the metal/insertion-MoS 2 interface are weakened due to weak interactions between the insertion and MoS 2 layers, no gap states and negligible structural deformations for MoS 2 layers. The Schottky barriers at metal/insertion-MoS 2 interfaces are induced by three interface dipoles and four potential steps that are determined by the charge transfers and structural deformations of 2D insertion materials. The lower the electron affinities of 2D insertion materials, the more are the electrons lost from the Sc surface, resulting in lower n-type Schottky barriers at Sc/insertion-MoS 2 interfaces. The larger the ionization potentials and the thinner the thicknesses of 2D insertion materials, the fewer are the electrons that accumulate at the Pt surface, leading to lower p-type Schottky barriers at Pt/insertion-MoS 2 interfaces. All Sc/insertion-MoS 2 interfaces exhibited ohmic characters. The Pt/BN-MoS 2 interface exhibits the lowest p-type Schottky barrier of 0.52 eV due to the largest ionization potential (∼6.88 eV) and the thinnest thickness (single atomic layer thickness) of BN. These results in this work are beneficial to understand and design high performance metal/insertion-MoS 2 interfaces through 2D insertion materials.

Electromigration of intergranular voids in metal films for microelectronic interconnects

NASA Astrophysics Data System (ADS)

Averbuch, Amir; Israeli, Moshe; Ravve, Igor

2003-04-01

Voids and cracks often occur in the interconnect lines of microelectronic devices. They increase the resistance of the circuits and may even lead to a fatal failure. Voids may occur inside a single grain, but often they appear on the boundary between two grains. In this work, we model and analyze numerically the migration and evolution of an intergranular void subjected to surface diffusion forces and external voltage applied to the interconnect. The grain-void interface is considered one-dimensional, and the physical formulation of the electromigration and diffusion model results in two coupled fourth-order one-dimensional time-dependent PDEs. The boundary conditions are specified at the triple points, which are common to both neighboring grains and the void. The solution of these equations uses a finite difference scheme in space and a Runge-Kutta integration scheme in time, and is also coupled to the solution of a static Laplace equation describing the voltage distribution throughout the grain. Since the voltage distribution is required only along the interface line, the two-dimensional discretization of the grain interior is not needed, and the static problem is solved by the boundary element method at each time step. The motion of the intergranular void was studied for different ratios between the diffusion and the electric field forces, and for different initial configurations of the void.