Electrical tuning of three-dimensional photonic crystals using polymer dispersed liquid crystals

NASA Astrophysics Data System (ADS)

McPhail, Dennis; Straub, Martin; Gu, Min

2005-01-01

Electrically tunable three-dimensional photonic crystals with a tunable wavelength range of over 70nm of stop gaps between 3 and 4μm have been generated in a liquid crystal-polymer composite. The photonic crystals were fabricated by femtosecond-laser direct writing of void channels in an inverse woodpile configuration with 20 layers providing an extinction of infrared light transmission of 70% in the stacking direction. Stable structures could be manufactured up to a liquid crystal concentration of 24%. Applying a direct voltage of several hundred volts in the stacking direction of the photonic crystal changes the alignment of the liquid crystal directors and hence the average refractive index of the structure. This mechanism permits the direct tuning of the photonic stop gap.

Three-dimensional metamaterials

DOEpatents

Burckel, David Bruce [Albuquerque, NM

2012-06-12

A fabrication method is capable of creating canonical metamaterial structures arrayed in a three-dimensional geometry. The method uses a membrane suspended over a cavity with predefined pattern as a directional evaporation mask. Metallic and/or dielectric material can be evaporated at high vacuum through the patterned membrane to deposit resonator structures on the interior walls of the cavity, thereby providing a unit cell of micron-scale dimension. The method can produce volumetric metamaterial structures comprising layers of such unit cells of resonator structures.

Development of a direct three-dimensional biomicrofabrication concept based on electrospraying a custom made siloxane sol.

PubMed

Sullivan, Alice C; Jayasinghe, Suwan N

2007-07-19

We demonstrate here the discovery of a unique and direct three-dimensional biomicrofabrication concept possessing the ability to revolutionize the jet-based fabrication arena. Previous work carried out on similar jet-based approaches have been successful in fabricating only vertical wallpillar-structures by the controlled deposition of stacked droplets. However, these advanced jet-techniques have not been able to directly fabricate self-supporting archeslinks (without molds or reaction methods) between adjacent structures (walls or pillars). Our work reported here gives birth to a unique type of jet determined by high intensity electric fields, which is derived from a specially formulated siloxane sol. The sol studied here has been chosen for its attractive properties (such as an excellent cross-linking nature as well as the ability to polymerize via polycondensation on deposition to its biocompatability), which promotes direct forming of biostructures with nanometer (<50 nm) sized droplets in three dimensions. We foresee that this direct three-dimensional biomicrofabrication jet technique coupled with a variety of formulated sols having focused and enhanced functionality will be explored throughout the physical and life sciences.

Structure of Exhausts in Magnetic Reconnection with an X-line of Finite Extent

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

Shepherd, L. S.; Cassak, P. A.; Drake, J. F.

2017-10-20

We present quantitative predictions of the structure of reconnection exhausts in three-dimensional magnetic reconnection with an X-line of finite extent in the out-of-plane direction. Sasunov et al. showed that they have a tilted ribbon-like shape bounded by rotational discontinuities and tangential discontinuities. We show analytically and numerically that this prediction is largely correct. When there is an out-of-plane (guide) magnetic field, the presence of the upstream field that does not reconnect acts as a boundary condition in the normal direction, which forces the normal magnetic field to be zero outside the exhaust. This condition constrains the normal magnetic field insidemore » the exhaust to be small. Thus, rather than the ribbon tilting in the inflow direction, the exhaust remains collimated in the normal direction and is forced to expand nearly completely in the out-of-plane direction. This exhaust structure is in stark contrast to the two-dimensional picture of reconnection, where reconnected flux expands in the normal direction. We present analytical predictions for the structure of the exhausts in terms of upstream conditions. The predictions are confirmed using three-dimensional resistive-magnetohydrodynamic simulations with a finite-length X-line achieved using a localized (anomalous) resistivity. Implications to reconnection in the solar wind are discussed. In particular, the results can be used to estimate a lower bound for the extent of the X-line in the out-of-plane direction solely using single-spacecraft data taken downstream in the exhausts.« less

Direct linearizing transform for three-dimensional discrete integrable systems: the lattice AKP, BKP and CKP equations.

PubMed

Fu, Wei; Nijhoff, Frank W

2017-07-01

A unified framework is presented for the solution structure of three-dimensional discrete integrable systems, including the lattice AKP, BKP and CKP equations. This is done through the so-called direct linearizing transform, which establishes a general class of integral transforms between solutions. As a particular application, novel soliton-type solutions for the lattice CKP equation are obtained.

Analyzing the Magnetopause Internal Structure: New Possibilities Offered by MMS Tested in a Case Study

NASA Astrophysics Data System (ADS)

Rezeau, L.; Belmont, G.; Manuzzo, R.; Aunai, N.; Dargent, J.

2018-01-01

We explore the structure of the magnetopause using a crossing observed by the Magnetospheric Multiscale (MMS) spacecraft on 16 October 2015. Several methods (minimum variance analysis, BV method, and constant velocity analysis) are first applied to compute the normal to the magnetopause considered as a whole. The different results obtained are not identical, and we show that the whole boundary is not stationary and not planar, so that basic assumptions of these methods are not well satisfied. We then analyze more finely the internal structure for investigating the departures from planarity. Using the basic mathematical definition of what is a one-dimensional physical problem, we introduce a new single spacecraft method, called LNA (local normal analysis) for determining the varying normal, and we compare the results so obtained with those coming from the multispacecraft minimum directional derivative (MDD) tool developed by Shi et al. (2005). This last method gives the dimensionality of the magnetic variations from multipoint measurements and also allows estimating the direction of the local normal when the variations are locally 1-D. This study shows that the magnetopause does include approximate one-dimensional substructures but also two- and three-dimensional structures. It also shows that the dimensionality of the magnetic variations can differ from the variations of other fields so that, at some places, the magnetic field can have a 1-D structure although all the plasma variations do not verify the properties of a global one-dimensional problem. A generalization of the MDD tool is proposed.

Direct correlations of structural and optical properties of three-dimensional GaN/InGaN core/shell micro-light emitting diodes

NASA Astrophysics Data System (ADS)

Sadat Mohajerani, Matin; Müller, Marcus; Hartmann, Jana; Zhou, Hao; Wehmann, Hergo-H.; Veit, Peter; Bertram, Frank; Christen, Jürgen; Waag, Andreas

2016-05-01

Three-dimensional (3D) InGaN/GaN quantum-well (QW) core-shell light emitting diodes (LEDs) are a promising candidate for the future solid state lighting. In this contribution, we study direct correlations of structural and optical properties of the core-shell LEDs using highly spatially-resolved cathodoluminescence spectroscopy (CL) in combination with scanning electron microscopy (SEM) and scanning transmission electron microscopy (STEM). Temperature-dependent resonant photoluminescence (PL) spectroscopy has been performed to understand recombination mechanisms and to estimate the internal quantum efficiency (IQE).

Temporal focusing microscopy combined with three-dimensional structured illumination

NASA Astrophysics Data System (ADS)

Isobe, Keisuke; Toda, Keisuke; Song, Qiyuan; Kannari, Fumihiko; Kawano, Hiroyuki; Miyawaki, Atsushi; Midorikawa, Katsumi

2017-05-01

Temporal focusing microscopy provides the optical sectioning capability in wide-field two-photon fluorescence imaging. Here, we demonstrate temporal focusing microscopy combined with three-dimensional structured illumination, which enables us to enhance the three-dimensional spatial resolution and reject the background fluorescence. Experimentally, the periodic pattern of the illumination was produced not only in the lateral direction but also in the axial direction by the interference between three temporal focusing pulses, which were easily generated using a digital micromirror device. The lateral resolution and optical sectioning capability were successfully enhanced by factors of 1.6 and 3.6, respectively, compared with those of temporal focusing microscopy. In the two-photon fluorescence imaging of a tissue-like phantom, the out-of-focus background fluorescence and the scattered background fluorescence could also be rejected.

Coherent structures and flow topology of transitional separated-reattached flow over two and three dimensional geometrical shapes

NASA Astrophysics Data System (ADS)

Diabil, Hayder Azeez; Li, Xin Kai; Abdalla, Ibrahim Elrayah

2017-09-01

Large-scale organized motions (commonly referred to coherent structures) and flow topology of a transitional separated-reattached flow have been visualised and investigated using flow visualisation techniques. Two geometrical shapes including two-dimensional flat plate with rectangular leading edge and three-dimensional square cylinder are chosen to shed a light on the flow topology and present coherent structures of the flow over these shapes. For both geometries and in the early stage of the transition, two-dimensional Kelvin-Helmholtz rolls are formed downstream of the leading edge. They are observed to be twisting around the square cylinder while they stay flat in the case of the two-dimensional flat plate. For both geometrical shapes, the two-dimensional Kelvin-Helmholtz rolls move downstream of the leading edge and they are subjected to distortion to form three-dimensional hairpin structures. The flow topology in the flat plate is different from that in the square cylinder. For the flat plate, there is a merging process by a pairing of the Kelvin-Helmholtz rolls to form a large structure that breaks down directly into many hairpin structures. For the squire cylinder case, the Kelvin-Helmholtz roll evolves topologically to form a hairpin structure. In the squire cylinder case, the reattachment length is much shorter and a forming of the three-dimensional structures is closer to the leading edge than that in the flat plate case.

A Structure-Based Distance Metric for High-Dimensional Space Exploration with Multi-Dimensional Scaling

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

Lee, Hyun Jung; McDonnell, Kevin T.; Zelenyuk, Alla

2014-03-01

Although the Euclidean distance does well in measuring data distances within high-dimensional clusters, it does poorly when it comes to gauging inter-cluster distances. This significantly impacts the quality of global, low-dimensional space embedding procedures such as the popular multi-dimensional scaling (MDS) where one can often observe non-intuitive layouts. We were inspired by the perceptual processes evoked in the method of parallel coordinates which enables users to visually aggregate the data by the patterns the polylines exhibit across the dimension axes. We call the path of such a polyline its structure and suggest a metric that captures this structure directly inmore » high-dimensional space. This allows us to better gauge the distances of spatially distant data constellations and so achieve data aggregations in MDS plots that are more cognizant of existing high-dimensional structure similarities. Our MDS plots also exhibit similar visual relationships as the method of parallel coordinates which is often used alongside to visualize the high-dimensional data in raw form. We then cast our metric into a bi-scale framework which distinguishes far-distances from near-distances. The coarser scale uses the structural similarity metric to separate data aggregates obtained by prior classification or clustering, while the finer scale employs the appropriate Euclidean distance.« less

Three-dimensional infrared metamaterial with asymmetric transmission

DOE PAGES

Kenanakis, George; Xomalis, Aggelos; Selimis, Alexandros; ...

2015-01-14

A novel three-dimensional (3D) metallic metamaterial structure with asymmetric transmission for linear polarization is demonstrated in the infrared spectral region. The structure was fabricated by direct laser writing and selective electroless silver coating, a straightforward, novel technique producing mechanically and chemically stable 3D photonic structures. The structure unit cell is composed of a pair of conductively coupled magnetic resonators, and the asymmetric transmission response results from interplay of electric and magnetic responses; this equips the structure with almost total opaqueness along one propagation direction versus satisfying transparency along the opposite one. It also offers easily adjustable impedance, 90° one-way puremore » optical activity and backward propagation possibility, resulting thus in unique capabilities in polarization control and isolation applications. We show also that scaling down the structure can make it capable of exhibiting its asymmetric transmission and its polarization capabilities in the optical region.« less

Estimating 3-dimensional colony surface area of field corals

EPA Science Inventory

Colony surface area is a critical descriptor for biological and physical attributes of reef-building (scleractinian, stony) corals. The three-dimensional (3D) size and structure of corals are directly related to many ecosystem values and functions. Most methods to estimate colony...

Development of a direct three-dimensional biomicrofabrication concept based on electrospraying a custom made siloxane sol

PubMed Central

Sullivan, Alice C.; Jayasinghe, Suwan N.

2007-01-01

We demonstrate here the discovery of a unique and direct three-dimensional biomicrofabrication concept possessing the ability to revolutionize the jet-based fabrication arena. Previous work carried out on similar jet-based approaches have been successful in fabricating only vertical wall∕pillar-structures by the controlled deposition of stacked droplets. However, these advanced jet-techniques have not been able to directly fabricate self-supporting arches∕links (without molds or reaction methods) between adjacent structures (walls or pillars). Our work reported here gives birth to a unique type of jet determined by high intensity electric fields, which is derived from a specially formulated siloxane sol. The sol studied here has been chosen for its attractive properties (such as an excellent cross-linking nature as well as the ability to polymerize via polycondensation on deposition to its biocompatability), which promotes direct forming of biostructures with nanometer (<50 nm) sized droplets in three dimensions. We foresee that this direct three-dimensional biomicrofabrication jet technique coupled with a variety of formulated sols having focused and enhanced functionality will be explored throughout the physical and life sciences. PMID:19693359

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

Trevisanutto, Paolo E.; Vignale, Giovanni, E-mail: vignaleg@missouri.edu

Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a periodicity in the third direction (perpendicular to the layer) is completely artificial and may lead in some cases to spurious results and to difficulties in treating the action of external fields. In this paper we develop a new approach, which is “native” to quasi-2D materials, making use of basis function that are periodic in the plane, but atomic-like in the perpendicular direction. We show how some of the basicmore » tools of ab initio electronic structure theory — density functional theory, GW approximation and Bethe-Salpeter equation — are implemented in the new basis. We argue that the new approach will be preferable to the conventional one in treating the peculiarities of layered materials, including the long range of the unscreened Coulomb interaction in insulators, and the effects of strain, corrugations, and external fields.« less

Observation of Three-Dimensional Magnetic Reconnection in the Terrestrial Magnetotail

NASA Astrophysics Data System (ADS)

Zhou, Meng; Ashour-Abdalla, Maha; Deng, Xiaohua; Pang, Ye; Fu, Huishan; Walker, Raymond; Lapenta, Giovanni; Huang, Shiyong; Xu, Xiaojun; Tang, Rongxin

2017-09-01

Study of magnetic reconnection has been focused on two-dimensional geometry in the past decades, whereas three-dimensional structures and dynamics of reconnection X line are poorly understood. In this paper, we report Cluster multispacecraft observations of a three-dimensional magnetic reconnection X line with a weak guide field ( 25% of the upstream magnetic field) in the Earth's magnetotail. We find that the X line not only retreated tailward but also expanded across the tail following the electron flow direction with a maximum average speed of (0.04-0.15) VA,up, where VA,up is the upstream Alfvén speed, or (0.14-0.57) Vde, where Vde is the electron flow speed in the out-of-plane direction. An ion diffusion region was observed by two spacecraft that were separated about 10 ion inertial lengths along the out-of-plane direction; however, these two spacecraft observed distinct magnetic structures associated with reconnection: one spacecraft observed dipolarization fronts, while the other one observed flux ropes. This indicates that reconnection proceeds in drastically different ways in different segments along the X line only a few ion inertial lengths apart.

Does Attention-Deficit/Hyperactivity Disorder Have a Dimensional Latent Structure? A Taxometric Analysis

PubMed Central

Marcus, David K.; Barry, Tammy D.

2010-01-01

An understanding of the latent structure of attention-deficit/hyperactivity disorder (ADHD) is essential for developing causal models of this disorder. Although some researchers have presumed that ADHD is dimensional and others have assumed that it is taxonic, there has been relatively little research directly examining the latent structure of ADHD. The authors conducted a set of taxometric analyses using data from the NICHD Study of Early Child Care and Youth Development (ns between 667–1078). The results revealed a dimensional latent structure across a variety of different analyses and sets of indicators, for inattention, hyperactivity/impulsivity, and ADHD. Furthermore, analyses of correlations with associated features indicated that dimensional models demonstrated stronger validity coefficients with these criterion measures than dichotomous models. These findings jibe with recent research on the genetic basis of ADHD and with contemporary models of ADHD. PMID:20973595

Modeling and numerical simulations of growth and morphologies of three dimensional aggregated silver films

NASA Astrophysics Data System (ADS)

Davis, L. J.; Boggess, M.; Kodpuak, E.; Deutsch, M.

2012-11-01

We report on a model for the deposition of three dimensional, aggregated nanocrystalline silver films, and an efficient numerical simulation method developed for visualizing such structures. We compare our results to a model system comprising chemically deposited silver films with morphologies ranging from dilute, uniform distributions of nanoparticles to highly porous aggregated networks. Disordered silver films grown in solution on silica substrates are characterized using digital image analysis of high resolution scanning electron micrographs. While the latter technique provides little volume information, plane-projected (two dimensional) island structure and surface coverage may be reliably determined. Three parameters governing film growth are evaluated using these data and used as inputs for the deposition model, greatly reducing computing requirements while still providing direct access to the complete (bulk) structure of the films throughout the growth process. We also show how valuable three dimensional characteristics of the deposited materials can be extracted using the simulated structures.

Does attention-deficit/hyperactivity disorder have a dimensional latent structure? A taxometric analysis.

PubMed

Marcus, David K; Barry, Tammy D

2011-05-01

An understanding of the latent structure of attention-deficit/hyperactivity disorder (ADHD) is essential for developing causal models of this disorder. Although some researchers have presumed that ADHD is dimensional and others have assumed that it is taxonic, there has been relatively little research directly examining the latent structure of ADHD. The authors conducted a set of taxometric analyses using data from the NICHD Study of Early Child Care and Youth Development (ns between 667 and 1,078). The results revealed a dimensional latent structure across a variety of different analyses and sets of indicators for inattention, hyperactivity/impulsivity, and ADHD. Furthermore, analyses of correlations with associated features indicated that dimensional models demonstrated stronger validity coefficients with these criterion measures than dichotomous models. These findings jibe with recent research on the genetic basis of ADHD and with contemporary models of ADHD.

Confinement and Structural Changes in Vertically Aligned Dust Structures

NASA Astrophysics Data System (ADS)

Hyde, Truell

2013-10-01

In physics, confinement is known to influence collective system behavior. Examples include coulomb crystal variants such as those formed from ions or dust particles (classical), electrons in quantum dots (quantum) and the structural changes observed in vertically aligned dust particle systems formed within a glass box placed on the lower electrode of a Gaseous Electronics Conference (GEC) rf reference cell. Recent experimental studies have expanded the above to include the biological domain by showing that the stability and dynamics of proteins confined through encapsulation and enzyme molecules placed in inorganic cavities such as those found in biosensors are also directly influenced by their confinement. In this paper, the self-assembly and subsequent collective behavior of structures formed from n, charged dust particles interacting with one another and located within a glass box placed on the lower, powered electrode of a GEC rf reference cell is discussed. Self-organized formation of vertically aligned one-dimensional chains, two-dimensional zigzag structures, and three-dimensional helical structures of triangular, quadrangular, pentagonal, hexagonal, and heptagonal symmetries are shown to occur. System evolution is shown to progress from one-dimensional chain structures, through a zigzag transition to a two-dimensional, spindle like structures, and then to various three-dimensional, helical structures exhibiting various symmetries. Stable configurations are shown to be strongly dependent upon system confinement. The critical conditions for structural transitions as well as the basic symmetry exhibited by the one-, two-, and three-dimensional structures that subsequently develop will be shown to be in good agreement with molecular dynamics simulations.

One-way mode transmission in one-dimensional phononic crystal plates

NASA Astrophysics Data System (ADS)

Zhu, Xuefeng; Zou, Xinye; Liang, Bin; Cheng, Jianchun

2010-12-01

We investigate theoretically the band structures of one-dimensional phononic crystal (PC) plates with both antisymmetric and symmetric structures, and show how unidirectional transmission behavior can be obtained for either antisymmetric waves (A modes) or symmetric waves (S modes) by exploiting mode conversion and selection in the linear plate systems. The theoretical approach is illustrated for one PC plate example where unidirectional transmission behavior is obtained in certain frequency bands. Employing harmonic frequency analysis, we numerically demonstrate the one-way mode transmission for the PC plate with finite superlattice by calculating the steady-state displacement fields under A modes source (or S modes source) in forward and backward direction, respectively. The results show that the incident waves from A modes source (or S modes source) are transformed into S modes waves (or A modes waves) after passing through the superlattice in the forward direction and the Lamb wave rejections in the backward direction are striking with a power extinction ratio of more than 1000. The present structure can be easily extended to two-dimensional PC plate and efficiently encourage practical studies of experimental realization which is believed to have much significance for one-way Lamb wave mode transmission.

Laser Direct Writing of Tree-Shaped Hierarchical Cones on a Superhydrophobic Film for High-Efficiency Water Collection.

PubMed

Wang, Meng; Liu, Qian; Zhang, Haoran; Wang, Chuang; Wang, Lei; Xiang, Bingxi; Fan, Yongtao; Guo, Chuan Fei; Ruan, Shuangchen

2017-08-30

Directional water collection has stimulated a great deal of interest because of its potential applications in the field of microfluidics, liquid transportation, fog harvesting, and so forth. There have been some bio or bioinspired structures for directional water collection, from one-dimensional spider silk to two-dimensional star-like patterns to three-dimensional Nepenthes alata. Here we present a simple way for the accurate design and highly controllable driving of tiny droplets: by laser direct writing of hierarchical patterns with modified wettability and desired geometry on a superhydrophobic film, the patterned film can precisely and directionally drive tiny water droplets and dramatically improve the efficiency of water collection with a factor of ∼36 compared with the original superhydrophobic film. Such a patterned film might be an ideal platform for water collection from humid air and for planar microfluidics without tunnels.

Observation of the magnetic flux and three-dimensional structure of skyrmion lattices by electron holography.

PubMed

Park, Hyun Soon; Yu, Xiuzhen; Aizawa, Shinji; Tanigaki, Toshiaki; Akashi, Tetsuya; Takahashi, Yoshio; Matsuda, Tsuyoshi; Kanazawa, Naoya; Onose, Yoshinori; Shindo, Daisuke; Tonomura, Akira; Tokura, Yoshinori

2014-05-01

Skyrmions are nanoscale spin textures that are viewed as promising candidates as information carriers in future spintronic devices. Skyrmions have been observed using neutron scattering and microscopy techniques. Real-space imaging using electrons is a straightforward way to interpret spin configurations by detecting the phase shifts due to electromagnetic fields. Here, we report the first observation by electron holography of the magnetic flux and the three-dimensional spin configuration of a skyrmion lattice in Fe(0.5)Co(0.5)Si thin samples. The magnetic flux inside and outside a skyrmion was directly visualized and the handedness of the magnetic flux flow was found to be dependent on the direction of the applied magnetic field. The electron phase shifts φ in the helical and skyrmion phases were determined using samples with a stepped thickness t (from 55 nm to 510 nm), revealing a linear relationship (φ = 0.00173 t). The phase measurements were used to estimate the three-dimensional structures of both the helical and skyrmion phases, demonstrating that electron holography is a useful tool for studying complex magnetic structures and for three-dimensional, real-space mapping of magnetic fields.

Method of using triaxial magnetic fields for making particle structures

DOEpatents

Martin, James E.; Anderson, Robert A.; Williamson, Rodney L.

2005-01-18

A method of producing three-dimensional particle structures with enhanced magnetic susceptibility in three dimensions by applying a triaxial energetic field to a magnetic particle suspension and subsequently stabilizing said particle structure. Combinations of direct current and alternating current fields in three dimensions produce particle gel structures, honeycomb structures, and foam-like structures.

A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

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

Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.

2015-09-28

Two dimensional electronic spectroscopy has proven to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derivemore » response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.« less

A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

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

Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.

2015-09-28

Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derivemore » response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.« less

A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy.

PubMed

Lewis, Nicholas H C; Dong, Hui; Oliver, Thomas A A; Fleming, Graham R

2015-09-28

Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

Discrete elliptic solitons in two-dimensional waveguide arrays

NASA Astrophysics Data System (ADS)

Ye, Fangwei; Dong, Liangwei; Wang, Jiandong; Cai, Tian; Li, Yong-Ping

2005-04-01

The fundamental properties of discrete elliptic solitons (DESs) in the two-dimensional waveguide arrays were studied. The DESs show nontrivial spatial structures in their parameters space due to the introduction of the new freedom of ellipticity, and their stability is closely linked to their propagation directions in the transverse plane.

Fabrication of 2D and 3D photonic structures using laser lithography

NASA Astrophysics Data System (ADS)

Gaso, P.; Jandura, D.; Pudis, D.

2016-12-01

In this paper we demonstrate possibilities of three-dimensional (3D) printing technology based on two photon polymerization. We used three-dimensional dip-in direct-laser-writing (DLW) optical lithography to fabricate 2D and 3D optical structures for optoelectronics and for optical sensing applications. DLW lithography allows us use a non conventional way how to couple light into the waveguide structure. We prepared ring resonator and we investigated its transmission spectral characteristic. We present 3D inverse opal structure from its design to printing and scanning electron microscope (SEM) imaging. Finally, SEM images of some prepared photonic crystal structures were performed.

Principal Cluster Axes: A Projection Pursuit Index for the Preservation of Cluster Structures in the Presence of Data Reduction

ERIC Educational Resources Information Center

Steinley, Douglas; Brusco, Michael J.; Henson, Robert

2012-01-01

A measure of "clusterability" serves as the basis of a new methodology designed to preserve cluster structure in a reduced dimensional space. Similar to principal component analysis, which finds the direction of maximal variance in multivariate space, principal cluster axes find the direction of maximum clusterability in multivariate space.…

Nonlinear mechanisms of two-dimensional wave-wave transformations in the initially coupled acoustic structure

NASA Astrophysics Data System (ADS)

Vorotnikov, K.; Starosvetsky, Y.

2018-01-01

The present study concerns two-dimensional nonlinear mechanisms of bidirectional and unidirectional channeling of longitudinal and shear waves emerging in the locally resonant acoustic structure. The system under consideration comprises an oscillatory chain of the axially coupled masses. Each mass of the chain is subject to the local linear potential along the lateral direction and incorporates the lightweight internal rotator. In the present work, we demonstrate the emergence of special resonant regimes of complete bi- and unidirectional transitions between the longitudinal and the shear waves of the locally resonant chain. These regimes are manifested by the two-dimensional energy channeling between the longitudinal and the shear traveling waves in the recurrent as well as the irreversible fashion. We show that the spatial control of the two dimensional energy flow between the longitudinal and the shear waves is solely governed by the motion of the internal rotators. Nonlinear analysis of the regimes of a bidirectional wave channeling unveils their global bifurcation structure and predicts the zones of their spontaneous transitions from a complete bi-directional wave channeling to the one-directional entrapment. An additional regime of a complete irreversible resonant transformation of the longitudinal wave into a shear wave is analyzed in the study. The intrinsic mechanism governing the unidirectional wave reorientation is described analytically. The results of the analysis of both mechanisms are substantiated by the numerical simulations of the full model and are found to be in a good agreement.

Three-dimensional biofilm structure quantification.

PubMed

Beyenal, Haluk; Donovan, Conrad; Lewandowski, Zbigniew; Harkin, Gary

2004-12-01

Quantitative parameters describing biofilm physical structure have been extracted from three-dimensional confocal laser scanning microscopy images and used to compare biofilm structures, monitor biofilm development, and quantify environmental factors affecting biofilm structure. Researchers have previously used biovolume, volume to surface ratio, roughness coefficient, and mean and maximum thicknesses to compare biofilm structures. The selection of these parameters is dependent on the availability of software to perform calculations. We believe it is necessary to develop more comprehensive parameters to describe heterogeneous biofilm morphology in three dimensions. This research presents parameters describing three-dimensional biofilm heterogeneity, size, and morphology of biomass calculated from confocal laser scanning microscopy images. This study extends previous work which extracted quantitative parameters regarding morphological features from two-dimensional biofilm images to three-dimensional biofilm images. We describe two types of parameters: (1) textural parameters showing microscale heterogeneity of biofilms and (2) volumetric parameters describing size and morphology of biomass. The three-dimensional features presented are average (ADD) and maximum diffusion distances (MDD), fractal dimension, average run lengths (in X, Y and Z directions), aspect ratio, textural entropy, energy and homogeneity. We discuss the meaning of each parameter and present the calculations in detail. The developed algorithms, including automatic thresholding, are implemented in software as MATLAB programs which will be available at site prior to publication of the paper.

Synthetic gauge flux and Weyl points in acoustic systems

NASA Astrophysics Data System (ADS)

Xiao, Meng; Chen, Wen-Jie; He, Wen-Yu; Chan, C. T.

We consider acoustic systems comprising a honeycomb lattice in the xy plane and periodic along the z direction. As kz is a good quantum number here, for each fixed kz, this system can be treated as a reduced two-dimensional system. By engineering the interlayer coupling in the z-direction, we show that we can realize effective inversion symmetry breaking and synthetic staggered gauge flux in the reduced two-dimensional system. The realizations of chiral edge states for fixed values of kz are direct consequences of the staggered gauge flux. And we then show that the synthetic gauge flux is closely related to the Weyl points in the three-dimensional band structure. This work was supported by the Hong Kong Research Grants Council (Grant No. AoE/P-02/12).

Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

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

Kawaguchi, Tomoya; Liu, Yihua; Reiter, Anthony

Here, a one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

Direct determination of one-dimensional interphase structures using normalized crystal truncation rod analysis

DOE PAGES

Kawaguchi, Tomoya; Liu, Yihua; Reiter, Anthony; ...

2018-04-20

Here, a one-dimensional non-iterative direct method was employed for normalized crystal truncation rod analysis. The non-iterative approach, utilizing the Kramers–Kronig relation, avoids the ambiguities due to an improper initial model or incomplete convergence in the conventional iterative methods. The validity and limitations of the present method are demonstrated through both numerical simulations and experiments with Pt(111) in a 0.1 M CsF aqueous solution. The present method is compared with conventional iterative phase-retrieval methods.

The ground state of two-dimensional silicon

NASA Astrophysics Data System (ADS)

Borlido, Pedro; Rödl, Claudia; Marques, Miguel A. L.; Botti, Silvana

2018-07-01

We perform ab initio structure-prediction calculations of the low-energy crystal structures of two-dimensional silicon. Besides the well-known silicene and a few other allotropes proposed earlier in the literature, we discover a wealth of new phases with interesting properties. In particular, we find that the ground state of two-dimensional silicon is an unreported structure formed by a honeycomb lattice with dumbbell atoms arranged in a zigzag pattern. This material, that we call zigzag dumbbell silicene, is 218 meV/atom more stable than silicene and displays a quasi-direct band gap of around 1.11 eV, with a very dispersive electron band. These properties should make it easier to synthesize than silicene and interesting for a wealth of opto-electronic applications.

Direct periodic patterning of GaN-based light-emitting diodes by three-beam interference laser ablation

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

Kim, Jeomoh; Ji, Mi-Hee; Detchprohm, Theeradetch

2014-04-07

We report on the direct patterning of two-dimensional periodic structures in GaN-based light-emitting diodes (LEDs) through laser interference ablation for the fast and reliable fabrication of periodic micro- and nano-structures aimed at enhancing light output. Holes arranged in a two-dimensional hexagonal lattice array having an opening size of 500 nm, depth of 50 nm, and a periodicity of 1 μm were directly formed by three-beam laser interference without photolithography or electron-beam lithography processes. The laser-patterned LEDs exhibit an enhancement in light output power of 20% compared to conventional LEDs having a flat top surface without degradation of electrical and optical properties of themore » top p-GaN layer and the active region, respectively.« less

Nanoscale Graphene Disk: A Natural Functionally Graded Material–How is Fourier’s Law Violated along Radius Direction of 2D Disk

PubMed Central

Yang, Nuo; Hu, Shiqian; Ma, Dengke; Lu, Tingyu; Li, Baowen

2015-01-01

In this Paper, we investigate numerically and analytically the thermal conductivity of nanoscale graphene disks (NGDs), and discussed the possibility to realize functionally graded material (FGM) with only one material, NGDs. Different from previous studies on divergence/non-diffusive of thermal conductivity in nano-structures with different size, we found a novel non-homogeneous (graded) thermal conductivity along the radius direction in a single nano-disk structure. We found that, instead of a constant value, the NGD has a graded thermal conductivity along the radius direction. That is, Fourier’s law of heat conduction is not valid in two dimensional graphene disk structures Moreover, we show the dependent of NGDs’ thermal conductivity on radius and temperature. Our study might inspire experimentalists to develop NGD based versatile FGMs, improve understanding of the heat removal of hot spots on chips, and enhance thermoelectric energy conversion efficiency by two dimensional disk with a graded thermal conductivity. PMID:26443206

Nanoscale Graphene Disk: A Natural Functionally Graded Material-How is Fourier's Law Violated along Radius Direction of 2D Disk.

PubMed

Yang, Nuo; Hu, Shiqian; Ma, Dengke; Lu, Tingyu; Li, Baowen

2015-10-07

In this Paper, we investigate numerically and analytically the thermal conductivity of nanoscale graphene disks (NGDs), and discussed the possibility to realize functionally graded material (FGM) with only one material, NGDs. Different from previous studies on divergence/non-diffusive of thermal conductivity in nano-structures with different size, we found a novel non-homogeneous (graded) thermal conductivity along the radius direction in a single nano-disk structure. We found that, instead of a constant value, the NGD has a graded thermal conductivity along the radius direction. That is, Fourier's law of heat conduction is not valid in two dimensional graphene disk structures Moreover, we show the dependent of NGDs' thermal conductivity on radius and temperature. Our study might inspire experimentalists to develop NGD based versatile FGMs, improve understanding of the heat removal of hot spots on chips, and enhance thermoelectric energy conversion efficiency by two dimensional disk with a graded thermal conductivity.

Cell directional migration and oriented division on three-dimensional laser-induced periodic surface structures on polystyrene.

PubMed

Wang, Xuefeng; Ohlin, Christian A; Lu, Qinghua; Hu, Jun

2008-05-01

The extracellular matrix in animal tissues usually provides a three-dimensional structural support to cells in addition to performing various other important functions. In the present study, wavy submicrometer laser-irradiated periodic surface structures (LIPSS) were produced on a smooth polystyrene film by polarized laser irradiation with a wavelength of 266 nm. Rat C6 glioma cells exhibited directional migration and oriented division on laser-irradiated polystyrene, which was parallel to the direction of LIPSS. However, rat C6 glioma cells on smooth polystyrene moved in a three-step invasion cycle, with faster migration speed than that on laser-irradiated polystyrene. In addition, focal adhesions examined by immunostaining focal adhesion kinase in human epithelial carcinoma HeLa cells were punctuated on smooth polystyrene, whereas dash-like on laser-irradiated polystyrene. We hypothesized that LIPSS on laser-irradiated polystyrene acted as an anisotropic and persistent mechanical stimulus to guide cell anisotropic spreading, migration and division through focal adhesions.

Preventing Data Ambiguity in Infectious Diseases with Four-Dimensional and Personalized Evaluations

PubMed Central

Iandiorio, Michelle J.; Fair, Jeanne M.; Chatzipanagiotou, Stylianos; Ioannidis, Anastasios; Trikka-Graphakos, Eleftheria; Charalampaki, Nikoletta; Sereti, Christina; Tegos, George P.; Hoogesteijn, Almira L.; Rivas, Ariel L.

2016-01-01

Background Diagnostic errors can occur, in infectious diseases, when anti-microbial immune responses involve several temporal scales. When responses span from nanosecond to week and larger temporal scales, any pre-selected temporal scale is likely to miss some (faster or slower) responses. Hoping to prevent diagnostic errors, a pilot study was conducted to evaluate a four-dimensional (4D) method that captures the complexity and dynamics of infectious diseases. Methods Leukocyte-microbial-temporal data were explored in canine and human (bacterial and/or viral) infections, with: (i) a non-structured approach, which measures leukocytes or microbes in isolation; and (ii) a structured method that assesses numerous combinations of interacting variables. Four alternatives of the structured method were tested: (i) a noise-reduction oriented version, which generates a single (one data point-wide) line of observations; (ii) a version that measures complex, three-dimensional (3D) data interactions; (iii) a non-numerical version that displays temporal data directionality (arrows that connect pairs of consecutive observations); and (iv) a full 4D (single line-, complexity-, directionality-based) version. Results In all studies, the non-structured approach revealed non-interpretable (ambiguous) data: observations numerically similar expressed different biological conditions, such as recovery and lack of recovery from infections. Ambiguity was also found when the data were structured as single lines. In contrast, two or more data subsets were distinguished and ambiguity was avoided when the data were structured as complex, 3D, single lines and, in addition, temporal data directionality was determined. The 4D method detected, even within one day, changes in immune profiles that occurred after antibiotics were prescribed. Conclusions Infectious disease data may be ambiguous. Four-dimensional methods may prevent ambiguity, providing earlier, in vivo, dynamic, complex, and personalized information that facilitates both diagnostics and selection or evaluation of anti-microbial therapies. PMID:27411058

Internal Structure of Mini-CEX Scores for Internal Medicine Residents: Factor Analysis and Generalizability

ERIC Educational Resources Information Center

Cook, David A.; Beckman, Thomas J.; Mandrekar, Jayawant N.; Pankratz, V. Shane

2010-01-01

The mini-CEX is widely used to rate directly observed resident-patient encounters. Although several studies have explored the reliability of mini-CEX scores, the dimensionality of mini-CEX scores is incompletely understood. Objective: Explore the dimensionality of mini-CEX scores through factor analysis and generalizability analysis. Design:…

Inverse and Direct Energy Cascades in Three-Dimensional Magnetohydrodynamic Turbulence at Low Magnetic Reynolds Number

NASA Astrophysics Data System (ADS)

Baker, Nathaniel T.; Pothérat, Alban; Davoust, Laurent; Debray, François

2018-06-01

This experimental study analyzes the relationship between the dimensionality of turbulence and the upscale or downscale nature of its energy transfers. We do so by forcing low-R m magnetohydrodynamic turbulence in a confined channel, while precisely controlling its dimensionality by means of an externally applied magnetic field. We first identify a specific length scale l^⊥ c that separates smaller 3D structures from larger quasi-2D ones. We then show that an inverse energy cascade of horizontal kinetic energy along horizontal scales is always observable at large scales, and that it extends well into the region of 3D structures. At the same time, a direct energy cascade confined to the smallest and strongly 3D scales is observed. These dynamics therefore appear not to be simply determined by the dimensionality of individual scales, nor by the forcing scale, unlike in other studies. In fact, our findings suggest that the relationship between kinematics and dynamics is not universal and may strongly depend on the forcing and dissipating mechanisms at play.

Fabrication of three-dimensional polymer quadratic nonlinear grating structures by layer-by-layer direct laser writing technique

NASA Astrophysics Data System (ADS)

Bich Do, Danh; Lin, Jian Hung; Diep Lai, Ngoc; Kan, Hung-Chih; Hsu, Chia Chen

2011-08-01

We demonstrate the fabrication of a three-dimensional (3D) polymer quadratic nonlinear (χ(2)) grating structure. By performing layer-by-layer direct laser writing (DLW) and spin-coating approaches, desired photobleached grating patterns were embedded in the guest--host dispersed-red-1/poly(methylmethacrylate) (DR1/PMMA) active layers of an active-passive alternative multilayer structure through photobleaching of DR1 molecules. Polyvinyl-alcohol and SU8 thin films were deposited between DR1/PMMA layers serving as a passive layer to separate DR1/PMMA active layers. After applying the corona electric field poling to the multilayer structure, nonbleached DR1 molecules in the active layers formed polar distribution, and a 3D χ(2) grating structure was obtained. The χ(2) grating structures at different DR1/PMMA nonlinear layers were mapped by laser scanning second harmonic (SH) microscopy, and no cross talk was observed between SH images obtained from neighboring nonlinear layers. The layer-by-layer DLW technique is favorable to fabricating hierarchical 3D polymer nonlinear structures for optoelectronic applications with flexible structural design.

Fabrication of three-dimensional polymer quadratic nonlinear grating structures by layer-by-layer direct laser writing technique.

PubMed

Do, Danh Bich; Lin, Jian Hung; Lai, Ngoc Diep; Kan, Hung-Chih; Hsu, Chia Chen

2011-08-10

We demonstrate the fabrication of a three-dimensional (3D) polymer quadratic nonlinear (χ(2)) grating structure. By performing layer-by-layer direct laser writing (DLW) and spin-coating approaches, desired photobleached grating patterns were embedded in the guest-host dispersed-red-1/poly(methylmethacrylate) (DR1/PMMA) active layers of an active-passive alternative multilayer structure through photobleaching of DR1 molecules. Polyvinyl-alcohol and SU8 thin films were deposited between DR1/PMMA layers serving as a passive layer to separate DR1/PMMA active layers. After applying the corona electric field poling to the multilayer structure, nonbleached DR1 molecules in the active layers formed polar distribution, and a 3D χ(2) grating structure was obtained. The χ(2) grating structures at different DR1/PMMA nonlinear layers were mapped by laser scanning second harmonic (SH) microscopy, and no cross talk was observed between SH images obtained from neighboring nonlinear layers. The layer-by-layer DLW technique is favorable to fabricating hierarchical 3D polymer nonlinear structures for optoelectronic applications with flexible structural design.

Power-scaling performance of a three-dimensional tritium betavoltaic diode

NASA Astrophysics Data System (ADS)

Liu, Baojun; Chen, Kevin P.; Kherani, Nazir P.; Zukotynski, Stefan

2009-12-01

Three-dimensional diodes fabricated by electrochemical etching are exposed to tritium gas at pressures from 0.05 to 33 atm at room temperature to examine its power scaling performance. It is shown that the three-dimensional microporous structure overcomes the self-absorption limited saturation of beta flux at high tritium pressures. These results are contrasted against the three-dimensional device powered in one instance by tritium absorbed in the near surface region of the three-dimensional microporous network, and in another by a planar scandium tritide foil. These findings suggest that direct tritium occlusion in the near surface of three-dimensional diode can improve the specific power production.

Three-dimensional density and compressible magnetic structure in solar wind turbulence

NASA Astrophysics Data System (ADS)

Roberts, Owen W.; Narita, Yasuhito; Escoubet, C.-Philippe

2018-03-01

The three-dimensional structure of both compressible and incompressible components of turbulence is investigated at proton characteristic scales in the solar wind. Measurements of the three-dimensional structure are typically difficult, since the majority of measurements are performed by a single spacecraft. However, the Cluster mission consisting of four spacecraft in a tetrahedral formation allows for a fully three-dimensional investigation of turbulence. Incompressible turbulence is investigated by using the three vector components of the magnetic field. Meanwhile compressible turbulence is investigated by considering the magnitude of the magnetic field as a proxy for the compressible fluctuations and electron density data deduced from spacecraft potential. Application of the multi-point signal resonator technique to intervals of fast and slow wind shows that both compressible and incompressible turbulence are anisotropic with respect to the mean magnetic field direction P⟂ ≫ P∥ and are sensitive to the value of the plasma beta (β; ratio of thermal to magnetic pressure) and the wind type. Moreover, the incompressible fluctuations of the fast and slow solar wind are revealed to be different with enhancements along the background magnetic field direction present in the fast wind intervals. The differences in the fast and slow wind and the implications for the presence of different wave modes in the plasma are discussed.

Electronic Structure and Surface Physics of Two-dimensional Material Molybdenum Disulfide

NASA Astrophysics Data System (ADS)

Jin, Wencan

The interest in two-dimensional materials and materials physics has grown dramatically over the past decade. The family of two-dimensional materials, which includes graphene, transition metal dichalcogenides, phosphorene, hexagonal boron nitride, etc., can be fabricated into atomically thin films since the intralayer bonding arises from their strong covalent character, while the interlayer interaction is mediated by weak van der Waals forces. Among them, molybdenum disulfide (MoS2) has attracted much interest for its potential applications in opto-electronic and valleytronics devices. Previously, much of the experimental studies have concentrated on optical and transport measurements while neglecting direct experimental determination of the electronic structure of MoS2, which is crucial to the full understanding of its distinctive properties. In particular, like other atomically thin materials, the interactions with substrate impact the surface structure and morphology of MoS2, and as a result, its structural and physical properties can be affected. In this dissertation, the electronic structure and surface structure of MoS2 are directly investigated using angle-resolved photoemission spectroscopy and cathode lens microscopy. Local-probe angle-resolved photoemission spectroscopy measurements of monolayer, bilayer, trilayer, and bulk MoS 2 directly demonstrate the indirect-to-direct bandgap transition due to quantum confinement as the MoS2 thickness is decreased from multilayer to monolayer. The evolution of the interlayer coupling in this transition is also investigated using density functional theory calculations. Also, the thickness-dependent surface roughness is characterized using selected-area low energy electron diffraction (LEED) and the surface structural relaxation is investigated using LEED I-V measurements combined with dynamical LEED calculations. Finally, bandgap engineering is demonstrated via tuning of the interlayer interactions in van der Waals interfaces by twisting the relative orientation in bilayer-MoS2 and graphene-MoS 2-heterostructure systems.

Crystal structure and partial Ising-like magnetic ordering of orthorhombic D y 2 Ti O 5

DOE PAGES

Shamblin, Jacob; Calder, Stuart; Dun, Zhiling; ...

2016-07-12

The structure and magnetic properties of orthorhombic Dy 2TiO 5 have been investigated using x-ray diffraction, neutron diffraction, and alternating current (ac)/direct current (dc) magnetic susceptibility measurements. In this paper, we report a continuous structural distortion below 100 K characterized by negative thermal expansion in the [0 1 0] direction. Neutron diffraction and magnetic susceptibility measurements revealed that two-dimensional (2D) magnetic ordering begins at 3.1 K, which is followed by a three-dimensional magnetic transition at 1.7 K. The magnetic structure has been solved through a representational analysis approach and can be indexed with the propagation vector k = [0 1/2more » 0]. The spin structure corresponds to a coplanar model of interwoven 2D “sheets” extending in the [0 1 0] direction. The local crystal field is different for each Dy 3+ ion (Dy1 and Dy2), one of which possesses strong uniaxial symmetry indicative of Ising-like magnetic ordering. In conclusion, consequently, two succeeding transitions under magnetic field are observed in the ac susceptibility, which are associated with flipping each Dy 3+ spin independently.« less

Charge order-superfluidity transition in a two-dimensional system of hard-core bosons and emerging domain structures

NASA Astrophysics Data System (ADS)

Moskvin, A. S.; Panov, Yu. D.; Rybakov, F. N.; Borisov, A. B.

2017-11-01

We have used high-performance parallel computations by NVIDIA graphics cards applying the method of nonlinear conjugate gradients and Monte Carlo method to observe directly the developing ground state configuration of a two-dimensional hard-core boson system with decrease in temperature, and its evolution with deviation from a half-filling. This has allowed us to explore unconventional features of a charge order—superfluidity phase transition, specifically, formation of an irregular domain structure, emergence of a filamentary superfluid structure that condenses within of the charge-ordered phase domain antiphase boundaries, and formation and evolution of various topological structures.

Directional emissivity from two-dimensional infrared waveguide arrays

NASA Astrophysics Data System (ADS)

Burckel, D. Bruce; Davids, Paul S.; Finnegan, Patrick S.; Figueiredo, Pedro N.; Ginn, James C.

2015-09-01

Fabrication and optical characterization of surfaces covered with open-ended metallic waveguides are presented along with numerical modeling of these structures. Both modeling and measurement of the structures indicate that the 2-D array of 3D metallic waveguides modify both the direction and spectral content of the emissivity, resulting in directionality normal to the surface due to the optical axis of the waveguides and spectrally narrow emissivity due to the lateral dimensions of the waveguides. Furthermore, the optical behavior of these structures is placed in the broader context of other structured emission/absorption surfaces such as organ pipe modes, surface plasmon modes, and coherent thermal emission from gratings.

Structure design and characteristic analysis of micro-nano probe based on six dimensional micro-force measuring principle

NASA Astrophysics Data System (ADS)

Yang, Hong-tao; Cai, Chun-mei; Fang, Chuan-zhi; Wu, Tian-feng

2013-10-01

In order to develop micro-nano probe having error self-correcting function and good rigidity structure, a new micro-nano probe system was developed based on six-dimensional micro-force measuring principle. The structure and working principle of the probe was introduced in detail. The static nonlinear decoupling method was established with BP neural network to do the static decoupling for the dimension coupling existing in each direction force measurements. The optimal parameters of BP neural network were selected and the decoupling simulation experiments were done. The maximum probe coupling rate after decoupling is 0.039% in X direction, 0.025% in Y direction and 0.027% in Z direction. The static measurement sensitivity of the probe can reach 10.76μɛ / mN in Z direction and 14.55μɛ / mN in X and Y direction. The modal analysis and harmonic response analysis under three dimensional harmonic load of the probe were done by using finite element method. The natural frequencies under different vibration modes were obtained and the working frequency of the probe was determined, which is higher than 10000 Hz . The transient response analysis of the probe was done, which indicates that the response time of the probe can reach 0.4 ms. From the above results, it is shown that the developed micro-nano probe meets triggering requirements of micro-nano probe. Three dimension measuring force can be measured precisely by the developed probe, which can be used to predict and correct the force deformation error and the touch error of the measuring ball and the measuring rod.

HIGH DIMENSIONAL COVARIANCE MATRIX ESTIMATION IN APPROXIMATE FACTOR MODELS.

PubMed

Fan, Jianqing; Liao, Yuan; Mincheva, Martina

2011-01-01

The variance covariance matrix plays a central role in the inferential theories of high dimensional factor models in finance and economics. Popular regularization methods of directly exploiting sparsity are not directly applicable to many financial problems. Classical methods of estimating the covariance matrices are based on the strict factor models, assuming independent idiosyncratic components. This assumption, however, is restrictive in practical applications. By assuming sparse error covariance matrix, we allow the presence of the cross-sectional correlation even after taking out common factors, and it enables us to combine the merits of both methods. We estimate the sparse covariance using the adaptive thresholding technique as in Cai and Liu (2011), taking into account the fact that direct observations of the idiosyncratic components are unavailable. The impact of high dimensionality on the covariance matrix estimation based on the factor structure is then studied.

Quantum Emitters in Two-Dimensional Structured Reservoirs in the Nonperturbative Regime

NASA Astrophysics Data System (ADS)

González-Tudela, A.; Cirac, J. I.

2017-10-01

We show that the coupling of quantum emitters to a two-dimensional reservoir with a simple band structure gives rise to exotic quantum dynamics with no analogue in other scenarios and which cannot be captured by standard perturbative treatments. In particular, for a single quantum emitter with its transition frequency in the middle of the band, we predict an exponential relaxation at a rate different from that predicted by Fermi's golden rule, followed by overdamped oscillations and slow relaxation decay dynamics. This is accompanied by directional emission into the reservoir. This directionality leads to a modification of the emission rate for few emitters and even perfect subradiance, i.e., suppression of spontaneous emission, for four quantum emitters.

Three-dimensionally modulated anisotropic structure for diffractive optical elements created by one-step three-beam polarization holographic photoalignment

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

Kawai, Kotaro, E-mail: s135016@stn.nagaokaut.ac.jp; Sakamoto, Moritsugu; Noda, Kohei

2016-03-28

A diffractive optical element with a three-dimensional liquid crystal (LC) alignment structure for advanced control of polarized beams was fabricated by a highly efficient one-step photoalignment method. This study is of great significance because different two-dimensional continuous and complex alignment patterns can be produced on two alignment films by simultaneously irradiating an empty glass cell composed of two unaligned photocrosslinkable polymer LC films with three-beam polarized interference beam. The polarization azimuth, ellipticity, and rotation direction of the diffracted beams from the resultant LC grating widely varied depending on the two-dimensional diffracted position and the polarization states of the incident beams.more » These polarization diffraction properties are well explained by theoretical analysis based on Jones calculus.« less

Chain end distribution of block copolymer in two-dimensional microphase-separated structure studied by scanning near-field optical microscopy.

PubMed

Sekine, Ryojun; Aoki, Hiroyuki; Ito, Shinzaburo

2009-10-01

The chain end distribution of a block copolymer in a two-dimensional microphase-separated structure was studied by scanning near-field optical microscopy (SNOM). In the monolayer of poly(octadecyl methacrylate)-block-poly(isobutyl methacrylate) (PODMA-b-PiBMA), the free end of the PiBMA subchain was directly observed by SNOM, and the spatial distributions of the whole block and the chain end are examined and compared with the convolution of the point spread function of the microscope and distribution function of the model structures. It was found that the chain end distribution of the block copolymer confined in two dimensions has a peak near the domain center, being concentrated in the narrower region, as compared with three-dimensional systems.

A hybrid nanostructure of platinum-nanoparticles/graphitic-nanofibers as a three-dimensional counter electrode in dye-sensitized solar cells.

PubMed

Hsieh, Chien-Kuo; Tsai, Ming-Chi; Su, Ching-Yuan; Wei, Sung-Yen; Yen, Ming-Yu; Ma, Chen-Chi M; Chen, Fu-Rong; Tsai, Chuen-Horng

2011-11-07

We directly synthesized a platinum-nanoparticles/graphitic-nanofibers (PtNPs/GNFs) hybrid nanostructure on FTO glass. We applied this structure as a three-dimensional counter electrode in dye-sensitized solar cells (DSSCs), and investigated the cells' photoconversion performance. This journal is © The Royal Society of Chemistry 2011

Dynamics of wave packets in two-dimensional random systems with anisotropic disorder.

PubMed

Samelsohn, Gregory; Gruzdev, Eugene

2008-09-01

A theoretical model is proposed to describe narrowband pulse dynamics in two-dimensional systems with arbitrary correlated disorder. In anisotropic systems with elongated cigarlike inhomogeneities, fast propagation is predicted in the direction across the structure where the wave is exponentially localized and tunneling of evanescent modes plays a dominant role in typical realizations. Along the structure, where the wave is channeled as in a waveguide, the motion of the wave energy is relatively slow. Numerical simulations performed for ultra-wide-band pulses show that even at the initial stage of wave evolution, the radiation diffuses predominantly in the direction along the major axis of the correlation ellipse. Spectral analysis of the results relates the long tail of the wave observed in the transverse direction to a number of frequency domain "lucky shots" associated with the long-living resonant modes localized inside the sample.

Dynamics of wave packets in two-dimensional random systems with anisotropic disorder

NASA Astrophysics Data System (ADS)

Samelsohn, Gregory; Gruzdev, Eugene

2008-09-01

A theoretical model is proposed to describe narrowband pulse dynamics in two-dimensional systems with arbitrary correlated disorder. In anisotropic systems with elongated cigarlike inhomogeneities, fast propagation is predicted in the direction across the structure where the wave is exponentially localized and tunneling of evanescent modes plays a dominant role in typical realizations. Along the structure, where the wave is channeled as in a waveguide, the motion of the wave energy is relatively slow. Numerical simulations performed for ultra-wide-band pulses show that even at the initial stage of wave evolution, the radiation diffuses predominantly in the direction along the major axis of the correlation ellipse. Spectral analysis of the results relates the long tail of the wave observed in the transverse direction to a number of frequency domain “lucky shots” associated with the long-living resonant modes localized inside the sample.

Two-dimensional transport in structured optical force landscapes

NASA Astrophysics Data System (ADS)

Xiao, Ke

The overdamped transport of a Brownian particle in a structured force landscape has been studied extensively for a century. Even such well-studied examples as Brownian transport in a one-dimensional tilted washboard potential continue to yield surprising results, with recent discoveries including the giant enhancement of diffusion at the depinning transition, and the so-called "thermal ratchet effect". The transport phenomena in higher-dimensional systems should be substantially richer, but remain largely unexplored. In this Thesis we study the biased diffusion of colloidal spheres through two-dimensional force landscapes created with holographic optical tweezers (HOT). These studies take advantage of holographic video microscopy (HVM), which enables us to follow spheres' three-dimensional motions with nanometer resolution while simultaneously measuring their radii and refractive indexes with part-per-thousand resolution. Using these techniques we investigated the kinetically and statistically locked-in transport of colloidal spheres through arrays of optical traps, and confirmed previously untested predictions for kinetically locked-in transport that can be used for sorting applications with previously unheard finesse. Extending this result to highly structured two-dimensional landscapes, we developed prismatic optical fractionation, in which objects with different physical properties are deflected into different directions, a phenomenon analogous to a prism dispersing different wavelengths of light into different directions. Our simulational and experimental studies revealed the important role that thermal fluctuations play in establishing the hierarchy of kinetically locked-in states. We also investigated Brownian motion in a two-dimensional optical force landscape that varies in time. The traps for these studies were arranged in particular pattern called a "Fibonacci spiral" that is both the densest arrangement of circular objects with a circular domain and also particularly endowed with useful and interesting symmetries. Periodically rotating this pattern gives rise to transport in the both radial and azimuthal dimensions, whose direction depends on the angle and speed of rotation as well as the inter-trap separation. This deceptively simple system displays an extremely rich pattern of flux reversals in both dimensions and creates new avenues for studying the departure from equilibrium in noise-driven machines.

Dimensional and Componential Structure of a Hierarchical Organization of Pain-Related Anxiety Constructs

ERIC Educational Resources Information Center

Vancleef, Linda M. G.; Vlaeyen, Johan W. S.; Peters, Madelon L.

2009-01-01

Research has identified several anxiety and fear constructs that contribute directly or indirectly to the chronic course of pain. One way to gain insight into the frequently observed interrelations between these constructs may be by conceptualizing them within a hierarchical structure. In this structure, general and specific constructs are…

A new approach for solving seismic tomography problems and assessing the uncertainty through the use of graph theory and direct methods

NASA Astrophysics Data System (ADS)

Bogiatzis, P.; Ishii, M.; Davis, T. A.

2016-12-01

Seismic tomography inverse problems are among the largest high-dimensional parameter estimation tasks in Earth science. We show how combinatorics and graph theory can be used to analyze the structure of such problems, and to effectively decompose them into smaller ones that can be solved efficiently by means of the least squares method. In combination with recent high performance direct sparse algorithms, this reduction in dimensionality allows for an efficient computation of the model resolution and covariance matrices using limited resources. Furthermore, we show that a new sparse singular value decomposition method can be used to obtain the complete spectrum of the singular values. This procedure provides the means for more objective regularization and further dimensionality reduction of the problem. We apply this methodology to a moderate size, non-linear seismic tomography problem to image the structure of the crust and the upper mantle beneath Japan using local deep earthquakes recorded by the High Sensitivity Seismograph Network stations.

Face recognition based on two-dimensional discriminant sparse preserving projection

NASA Astrophysics Data System (ADS)

Zhang, Dawei; Zhu, Shanan

2018-04-01

In this paper, a supervised dimensionality reduction algorithm named two-dimensional discriminant sparse preserving projection (2DDSPP) is proposed for face recognition. In order to accurately model manifold structure of data, 2DDSPP constructs within-class affinity graph and between-class affinity graph by the constrained least squares (LS) and l1 norm minimization problem, respectively. Based on directly operating on image matrix, 2DDSPP integrates graph embedding (GE) with Fisher criterion. The obtained projection subspace preserves within-class neighborhood geometry structure of samples, while keeping away samples from different classes. The experimental results on the PIE and AR face databases show that 2DDSPP can achieve better recognition performance.

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

Commensurability resonances in two-dimensional magnetoelectric lateral superlattices

NASA Astrophysics Data System (ADS)

Schluck, J.; Fasbender, S.; Heinzel, T.; Pierz, K.; Schumacher, H. W.; Kazazis, D.; Gennser, U.

2015-05-01

Hybrid lateral superlattices composed of a square array of antidots and a periodic one-dimensional magnetic modulation are prepared in Ga [Al ]As heterostructures. The two-dimensional electron gases exposed to these superlattices are characterized by magnetotransport experiments in vanishing average perpendicular magnetic fields. Despite the absence of closed orbits, the diagonal magnetoresistivity in the direction perpendicular to the magnetic modulation shows pronounced classical resonances. They are located at magnetic fields where snake trajectories exist which are quasicommensurate with the antidot lattice. The diagonal magnetoresistivity in the direction of the magnetic modulation increases sharply above a threshold magnetic field and shows no fine structure. The experimental results are interpreted with the help of numerical simulations based on the semiclassical Kubo model.

HIGH DIMENSIONAL COVARIANCE MATRIX ESTIMATION IN APPROXIMATE FACTOR MODELS

PubMed Central

Fan, Jianqing; Liao, Yuan; Mincheva, Martina

2012-01-01

The variance covariance matrix plays a central role in the inferential theories of high dimensional factor models in finance and economics. Popular regularization methods of directly exploiting sparsity are not directly applicable to many financial problems. Classical methods of estimating the covariance matrices are based on the strict factor models, assuming independent idiosyncratic components. This assumption, however, is restrictive in practical applications. By assuming sparse error covariance matrix, we allow the presence of the cross-sectional correlation even after taking out common factors, and it enables us to combine the merits of both methods. We estimate the sparse covariance using the adaptive thresholding technique as in Cai and Liu (2011), taking into account the fact that direct observations of the idiosyncratic components are unavailable. The impact of high dimensionality on the covariance matrix estimation based on the factor structure is then studied. PMID:22661790

Hydrothermal preparation of blue molybdenum bronze nanoribbons: structural changes in mother crystals, related to solid-state conversion and crystallite splitting to nanomorphology

NASA Astrophysics Data System (ADS)

Nishida, Takamasa; Eda, Kazuo

2018-02-01

Hydrothermal syntheses of alkali-metal blue molybdenum bronze nanoribbons, which are expected to exhibit unique properties induced by a combined effect of extrinsic and intrinsic low-dimensionalities, from hydrated-alkali-metal molybdenum bronzes were investigated. Nanoribbons grown along the quasi-one-dimensional (1D) conductive direction of Cs0.3MoO3, which is difficult to prepare by the conventional methods, were first synthesized. The nanomorphology formation is achieved by a solid-state conversion (or crystallite splitting) and subsequent crystallite growth, and the structural changes of the starting material related to the conversion were first observed by powder X-ray diffraction and scanning transmission electron microscopy as a result of finely tuned reaction system and preparation conditions. The structural changes were analyzed by model simulations and were attributed to the structural modulations that were concerned with the intralayer packing disorder and with two-dimensional long-range ordered structure, formed in MoO3 sheets of the hydrated molybdenum bronze. Moreover, the modulations were related to displacement defects of the Mo-O framework units generated along the [100] direction in the hydrated molybdenum bronze. Then, it was suggested that the solid-state conversion into blue molybdenum bronze and the crystallite splitting to nanomorphology were initiated by the breaking of the Mo-O-Mo bonds at the defects. [Figure not available: see fulltext.

Micro-CT Characterization on the Meso-Structure of Three-Dimensional Full Five-Directional Braided Composite

NASA Astrophysics Data System (ADS)

Ya, Jixuan; Liu, Zhenguo; Wang, Yuanhang

2017-06-01

The meso-structure is important in predicting mechanical properties of the three-dimensional (3D) braided composite. In this paper, the internal structure and porosity of three-dimensional full five-directional (3DF5D) braided composite is characterized at mesoscopic scale (the scale of the yarns) using micro-computed tomography (micro-CT) non-destructively. Glass fiber yarns as tracer are added into the sample made of carbon fiber to enhance the contrast in the sectional images. The model of tracer yarns is established with 3D reconstruction method to analyze the cross-section and path of yarns. The porosities are reconstructed and characterized in the end. The results demonstrate that the cross sections of braiding yarns and axial yarns change with the regions and the heights in one pitch of 3DF5D braided composites. The path of braiding yarns are various in the different regions while the axial yarns are always straight. Helical indentations appear on the surfaces of the axial yarns because of the squeeze from braiding yarns. Moreover, the porosities in different shapes and sizes are almost located in the matrix and between the yarns.

X-Ray Crystallography as a Tool to Determine Three-Dimensional Structures of Commercial Enzymes Subjected to Treatment in Pressurized Fluids.

PubMed

Feiten, Mirian Cristina; Di Luccio, Marco; Santos, Karine F; de Oliveira, Débora; Oliveira, J Vladimir

2017-06-01

The study of enzyme function often involves a multi-disciplinary approach. Several techniques are documented in the literature towards determining secondary and tertiary structures of enzymes, and X-ray crystallography is the most explored technique for obtaining three-dimensional structures of proteins. Knowledge of three-dimensional structures is essential to understand reaction mechanisms at the atomic level. Additionally, structures can be used to modulate or improve functional activity of enzymes by the production of small molecules that act as substrates/cofactors or by engineering selected mutants with enhanced biological activity. This paper presentes a short overview on how to streamline sample preparation for crystallographic studies of treated enzymes. We additionally revise recent developments on the effects of pressurized fluid treatment on activity and stability of commercial enzymes. Future directions and perspectives on the the role of crystallography as a tool to access the molecular mechanisms underlying enzymatic activity modulation upon treatment in pressurized fluids are also addressed.

Ejection mechanisms in the sublayer of a turbulent channel

NASA Technical Reports Server (NTRS)

Jimenez, Javier; Moin, P.; Moser, R.; Keefe, L.

1988-01-01

The structure of the vorticity field in the viscous wall layer of a turbulent channel is studied by examining the results of a fully resolved direct numerical simulation. It is shown that this region is dominated by intense three-dimensional shear layers in which the dominant vorticity component is spanwise. The advection and reproduction processes of these structures are examined and shown to be consistent with the classical generation mechanism for two-dimensional Tollmien-Schlichting waves. This process is fundamentally different from the usually accepted mechanism involving hairpin vortices.

Synthesis and Structural Studies of Calcium and Magnesium Phosphinate and Phosphonate Compounds

NASA Astrophysics Data System (ADS)

Bampoh, Victoria Naa Kwale

The work presented herein describes synthetic methodologies leading to the design of a wide array of magnesium and calcium based phosphinate and phosphonates with possible applications as bone scaffolding materials or additives to bone cements. The challenge to the chemistry of the alkaline earth phosphonate target compounds includes poor solubility of compounds, and poorly understood details on the control of the metal's coordination environment. Hence, less is known on phosphonate based alkaline earth metal organic frameworks as compared to transition metal phosphonates. Factors governing the challenges in obtaining crystalline, well-defined magnesium and calcium solids lie in the large metal diameters, the absence of energetically available d-orbitals to direct metal geometry, as well as the overall weakness of the metal-ligand bonds. A significant part of this project was concerned with the development of suitable reaction conditions to obtain X-ray quality crystals of the reaction products to allow for structural elucidation of the novel compounds. Various methodologies to aid in crystal growth including hydrothermal methods and gel crystallization were employed. We have used phosphinate and phosphonate ligands with different number of phosphorus oxygen atoms as well as diphosphonates with different linker lengths to determine their effects on the overall structural features. An interesting correlation is observed between the dimensionality of products and the increasing number of donor oxygen atoms in the ligands as we progress from phosphinic acid to the phosphorous acids. As an example, monophosphinate ligand only yielded one-dimensional compounds, whereas the phosphonates crystallize as one and two-dimensional compounds, and the di- and triphosphonate based compounds display two or three-dimensional geometries. This thesis provides a selection of calcium and magnesium compounds with one-dimensional geometry, as represented in a calcium phosphinate to novel two-dimensional sheets of magnesium and pillared calcium phosphonates. The preparation of these novel compounds has led to the establishment of synthetic protocols that allow for the direct preparation of compounds with defined structural features.

The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces

NASA Astrophysics Data System (ADS)

Kuklin, Artem V.; Kuzubov, Alexander A.; Kovaleva, Evgenia A.; Lee, Hyosun; Sorokin, Pavel B.; Sakai, Seiji; Entani, Shiro; Naramoto, Hiroshi; Avramov, Paul

2017-10-01

Induced spin polarization of π-conjugated carbon and h-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and h-BN nanoribbons on MnO2-terminated LSMO(001) thin film was studied using GGA PBE+U PAW D3-corrected approach. Induced spin polarization of π-conjugated low-dimensional fragments is caused by direct exchange with Mn ions of LSMO(001) MnO-derived surface. Due to direct exchange, the pentacene molecule changes its diamagnetic narrow-band gap semiconducting nature to the ferromagnetic semiconducting state with 0.15 eV energy shift between spin-up and spin-down valence bands and total magnetic moment of 0.11 μB. Direct exchange converts graphene nanoribbon to 100% spin-polarized half-metal with large amplitude of spin-up electronic density at the Fermi level. The direct exchange narrows the h-BN nanoribbon band gap from 4.04 to 1.72 eV in spin-up channel and converts the h-BN ribbon semiconducting diamagnetic nature to a semiconducting magnetic one. The electronic structure calculations demonstrate a possibility to control the spin properties of low-dimensional π-conjugated carbon and h-BN fragments by direct exchange with MnO-derived LSMO(001) surface for spin-related applications.

Test of Shi et al. Method to Infer the Magnetic Reconnection Geometry from Spacecraft Data: MHD Simulation with Guide Field and Antiparallel Kinetic Simulation

NASA Technical Reports Server (NTRS)

Denton, R.; Sonnerup, B. U. O.; Swisdak, M.; Birn, J.; Drake, J. F.; Heese, M.

2012-01-01

When analyzing data from an array of spacecraft (such as Cluster or MMS) crossing a site of magnetic reconnection, it is desirable to be able to accurately determine the orientation of the reconnection site. If the reconnection is quasi-two dimensional, there are three key directions, the direction of maximum inhomogeneity (the direction across the reconnection site), the direction of the reconnecting component of the magnetic field, and the direction of rough invariance (the "out of plane" direction). Using simulated spacecraft observations of magnetic reconnection in the geomagnetic tail, we extend our previous tests of the direction-finding method developed by Shi et al. (2005) and the method to determine the structure velocity relative to the spacecraft Vstr. These methods require data from four proximate spacecraft. We add artificial noise and calibration errors to the simulation fields, and then use the perturbed gradient of the magnetic field B and perturbed time derivative dB/dt, as described by Denton et al. (2010). Three new simulations are examined: a weakly three-dimensional, i.e., quasi-two-dimensional, MHD simulation without a guide field, a quasi-two-dimensional MHD simulation with a guide field, and a two-dimensional full dynamics kinetic simulation with inherent noise so that the apparent minimum gradient was not exactly zero, even without added artificial errors. We also examined variations of the spacecraft trajectory for the kinetic simulation. The accuracy of the directions found varied depending on the simulation and spacecraft trajectory, but all the directions could be found within about 10 for all cases. Various aspects of the method were examined, including how to choose averaging intervals and the best intervals for determining the directions and velocity. For the kinetic simulation, we also investigated in detail how the errors in the inferred gradient directions from the unmodified Shi et al. method (using the unperturbed gradient) depended on the amplitude of the calibration errors. For an accuracy of 3 for the maximum gradient direction, the calibration errors could be as large as 3% of reconnection magnetic field, while for the same accuracy for the minimum gradient direction, the calibration errors could only be as large as 0.03% of the reconnection magnetic field. These results suggest that the maximum gradient direction can normally be determined by the unmodified Shi et al. method, while the modified method or some other method must be used to accurately determine the minimum gradient direction. The structure velocity was found with magnitude accurate to 2% and direction accurate to within 5%.

The three-dimensional structure of swirl-switching in bent pipe flow

DOE PAGES

Hufnagel, Lorenz; Canton, Jacopo; Örlü, Ramis; ...

2017-11-27

Swirl-switching is a low-frequency oscillatory phenomenon which affects the Dean vortices in bent pipes and may cause fatigue in piping systems. Despite thirty years worth of research, the mechanism that causes these oscillations and the frequencies that characterise them remain unclear. In this paper, we show that a three-dimensional wave-like structure is responsible for the low-frequency switching of the dominant Dean vortex. The present study, performed via direct numerical simulation, focuses on the turbulent flow through amore » $$90^{\\circ }$$pipe bend preceded and followed by straight pipe segments. A pipe with curvature 0.3 (defined as ratio between pipe radius and bend radius) is studied for a bulk Reynolds number $$Re=11\\,700$$, corresponding to a friction Reynolds number $$Re_{\\unicode[STIX]{x1D70F}}\\approx 360$$. Synthetic turbulence is generated at the inflow section and used instead of the classical recycling method in order to avoid the interference between recycling and swirl-switching frequencies. The flow field is analysed by three-dimensional proper orthogonal decomposition (POD) which for the first time allows the identification of the source of swirl-switching: a wave-like structure that originates in the pipe bend. Contrary to some previous studies, the flow in the upstream pipe does not show any direct influence on the swirl-switching modes. Finally, our analysis further shows that a three-dimensional characterisation of the modes is crucial to understand the mechanism, and that reconstructions based on two-dimensional POD modes are incomplete.« less

The three-dimensional structure of swirl-switching in bent pipe flow

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

Hufnagel, Lorenz; Canton, Jacopo; Örlü, Ramis

Swirl-switching is a low-frequency oscillatory phenomenon which affects the Dean vortices in bent pipes and may cause fatigue in piping systems. Despite thirty years worth of research, the mechanism that causes these oscillations and the frequencies that characterise them remain unclear. In this paper, we show that a three-dimensional wave-like structure is responsible for the low-frequency switching of the dominant Dean vortex. The present study, performed via direct numerical simulation, focuses on the turbulent flow through amore » $$90^{\\circ }$$pipe bend preceded and followed by straight pipe segments. A pipe with curvature 0.3 (defined as ratio between pipe radius and bend radius) is studied for a bulk Reynolds number $$Re=11\\,700$$, corresponding to a friction Reynolds number $$Re_{\\unicode[STIX]{x1D70F}}\\approx 360$$. Synthetic turbulence is generated at the inflow section and used instead of the classical recycling method in order to avoid the interference between recycling and swirl-switching frequencies. The flow field is analysed by three-dimensional proper orthogonal decomposition (POD) which for the first time allows the identification of the source of swirl-switching: a wave-like structure that originates in the pipe bend. Contrary to some previous studies, the flow in the upstream pipe does not show any direct influence on the swirl-switching modes. Finally, our analysis further shows that a three-dimensional characterisation of the modes is crucial to understand the mechanism, and that reconstructions based on two-dimensional POD modes are incomplete.« less

Large Scale Laser Two-Photon Polymerization Structuring for Fabrication of Artificial Polymeric Scaffolds for Regenerative Medicine

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

Malinauskas, M.; Purlys, V.; Zukauskas, A.

2010-11-10

We present a femtosecond Laser Two-Photon Polymerization (LTPP) system of large scale three-dimensional structuring for applications in tissue engineering. The direct laser writing system enables fabrication of artificial polymeric scaffolds over a large area (up to cm in lateral size) with sub-micrometer resolution which could find practical applications in biomedicine and surgery. Yb:KGW femtosecond laser oscillator (Pharos, Light Conversion. Co. Ltd.) is used as an irradiation source (75 fs, 515 nm (frequency doubled), 80 MHz). The sample is mounted on wide range linear motor driven stages having 10 nm sample positioning resolution (XY--ALS130-100, Z--ALS130-50, Aerotech, Inc.). These stages guarantee anmore » overall travelling range of 100 mm into X and Y directions and 50 mm in Z direction and support the linear scanning speed up to 300 mm/s. By moving the sample three-dimensionally the position of laser focus in the photopolymer is changed and one is able to write complex 3D (three-dimensional) structures. An illumination system and CMOS camera enables online process monitoring. Control of all equipment is automated via custom made computer software ''3D-Poli'' specially designed for LTPP applications. Structures can be imported from computer aided design STereoLihography (stl) files or programmed directly. It can be used for rapid LTPP structuring in various photopolymers (SZ2080, AKRE19, PEG-DA-258) which are known to be suitable for bio-applications. Microstructured scaffolds can be produced on different substrates like glass, plastic and metal. In this paper, we present microfabricated polymeric scaffolds over a large area and growing of adult rabbit myogenic stem cells on them. Obtained results show the polymeric scaffolds to be applicable for cell growth practice. It exhibit potential to use it for artificial pericardium in the experimental model in the future.« less

Large Scale Laser Two-Photon Polymerization Structuring for Fabrication of Artificial Polymeric Scaffolds for Regenerative Medicine

NASA Astrophysics Data System (ADS)

Malinauskas, M.; Purlys, V.; Žukauskas, A.; Rutkauskas, M.; Danilevičius, P.; Paipulas, D.; Bičkauskaitė, G.; Bukelskis, L.; Baltriukienė, D.; Širmenis, R.; Gaidukevičiutė, A.; Bukelskienė, V.; Gadonas, R.; Sirvydis, V.; Piskarskas, A.

2010-11-01

We present a femtosecond Laser Two-Photon Polymerization (LTPP) system of large scale three-dimensional structuring for applications in tissue engineering. The direct laser writing system enables fabrication of artificial polymeric scaffolds over a large area (up to cm in lateral size) with sub-micrometer resolution which could find practical applications in biomedicine and surgery. Yb:KGW femtosecond laser oscillator (Pharos, Light Conversion. Co. Ltd.) is used as an irradiation source (75 fs, 515 nm (frequency doubled), 80 MHz). The sample is mounted on wide range linear motor driven stages having 10 nm sample positioning resolution (XY—ALS130-100, Z—ALS130-50, Aerotech, Inc.). These stages guarantee an overall travelling range of 100 mm into X and Y directions and 50 mm in Z direction and support the linear scanning speed up to 300 mm/s. By moving the sample three-dimensionally the position of laser focus in the photopolymer is changed and one is able to write complex 3D (three-dimensional) structures. An illumination system and CMOS camera enables online process monitoring. Control of all equipment is automated via custom made computer software "3D-Poli" specially designed for LTPP applications. Structures can be imported from computer aided design STereoLihography (stl) files or programmed directly. It can be used for rapid LTPP structuring in various photopolymers (SZ2080, AKRE19, PEG-DA-258) which are known to be suitable for bio-applications. Microstructured scaffolds can be produced on different substrates like glass, plastic and metal. In this paper, we present microfabricated polymeric scaffolds over a large area and growing of adult rabbit myogenic stem cells on them. Obtained results show the polymeric scaffolds to be applicable for cell growth practice. It exhibit potential to use it for artificial pericardium in the experimental model in the future.

Self Assembled Structures by Directional Solidification of Eutectics

NASA Technical Reports Server (NTRS)

Dynys, Frederick W.; Sayir, Ali

2004-01-01

Interest in ordered porous structures has grown because of there unique properties such as photonic bandgaps, high backing packing density and high surface to volume ratio. Inspired by nature, biometric strategies using self assembled organic molecules dominate the development of hierarchical inorganic structures. Directional solidification of eutectics (DSE) also exhibit self assembly characteristics to form hierarchical metallic and inorganic structures. Crystallization of diphasic materials by DSE can produce two dimensional ordered structures consisting of rods or lamella. By selective removal of phases, DSE is capable to fabricate ordered pore arrays or ordered pin arrays. Criteria and limitations to fabricate hierarchical structures will be presented. Porous structures in silicon base alloys and ceramic systems will be reported.

Isolation and structure determination of a lignan from the bark of Salix alba.

PubMed

Du, Qizhen; Jerz, Gerold; Shen, Lianqing; Xiu, Lili; Winterhalter, Peter

2007-05-01

A lignan, sisymbrifolin (1) found in the fruits of Solanum sisymbriflolium has been isolated from the bark extract of Salix alba (Salicaceae). Its structure was elucidated by its direct spectrum data of ESI-MS and one- and two-dimensional NMR spectroscopy for the first time.

Device and nondestructive method to determine subsurface micro-structure in dense materials

DOEpatents

Sun, Jiangang [Westmont, IL

2006-05-09

A method and a device to detect subsurface three-dimensional micro-structure in a sample by illuminating the sample with light of a given polarization and detecting light emanating from the sample that has a different direction of polarization by means of a confocal optical system.

Leaf Histology--Two Modern Methods.

ERIC Educational Resources Information Center

Freeman, H. E.

1984-01-01

Two methods for examining leaf structure are presented; both methods involve use of "superglue." The first method uses the glue to form a thin, permanent, direct replica of a leaf surface on a microscope slide. The second method uses the glue to examine the three-dimensional structure of spongy mesophyll. (JN)

Three-dimensional behavior of ice crystals and biological cells during freezing of cell suspensions.

PubMed

Ishiguro, H; Koike, K

1998-09-11

Behavior of ice crystals and human red blood cells during extracellular-freezing was investigated in three-dimensions using a confocal laser scanning microscope(CLSM), which noninvasively produces tomograms of biological materials. Physiological saline and physiological saline with 2.4 M glycerol were used for suspension. Various cooling rates for directional solidification were used for distinctive morphology of the ice crystals. Addition of acridine orange as a fluorescent dye into the cell suspension enabled ice crystal, cells and unfrozen solution to be distinguished by different colors. The results indicate that the microscopic structure is three-dimensional for flat, cellular, and dendritic solid-liquid interfaces and that a CLSM is very effective in studying three-dimensional structure during the freezing of cell suspensions.

Three-dimensional Bragg diffraction in growth-disordered opals

NASA Astrophysics Data System (ADS)

Baryshev, A. V.; Kaplyanskii, Alexander A.; Kosobukin, Vladimir A.; Limonov, M. F.; Samusev, K. B.; Usvyat, D. E.

2003-06-01

After artificial opals as well as opal-based infilled and inverted composites are considered to be promising representatives of photonic crystal materials. Earlier, photonic stop gaps in opals were studied mainly in transmission or specular reflection geometries corresponding to "one-dimensional" Bragg diffraction. On the contrary, this work was aimed at observing the typical patterns of optical Bragg diffraction in which phenomenon opal crystal structure acts as a three-dimensional diffraction grating. Although our experiments were performed for artificial opals possessing unavoidable imperfections a well-pronounced diffraction peaks were observed characteristic of a crystal structure. Each of the diffraction maxima reveals a photonic stop gap in the specified direction, while the spectral width of the peak is a measure of the photonic stop gap width.

Stability of Planar Rarefaction Wave to 3D Full Compressible Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Li, Lin-an; Wang, Teng; Wang, Yi

2018-05-01

We prove time-asymptotic stability toward the planar rarefaction wave for the three-dimensional full, compressible Navier-Stokes equations with the heat-conductivities in an infinite long flat nozzle domain {R × T^2} . Compared with one-dimensional case, the proof here is based on our new observations on the cancellations on the flux terms and viscous terms due to the underlying wave structures, which are crucial for overcoming the difficulties due to the wave propagation in the transverse directions x 2 and x 3 and its interactions with the planar rarefaction wave in x 1 direction.

Modeling direct interband tunneling. II. Lower-dimensional structures

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

Pan, Andrew, E-mail: pandrew@ucla.edu; Chui, Chi On; California NanoSystems Institute, University of California, Los Angeles, Los Angeles, California 90095

We investigate the applicability of the two-band Hamiltonian and the widely used Kane analytical formula to interband tunneling along unconfined directions in nanostructures. Through comparisons with k·p and tight-binding calculations and quantum transport simulations, we find that the primary correction is the change in effective band gap. For both constant fields and realistic tunnel field-effect transistors, dimensionally consistent band gap scaling of the Kane formula allows analytical and numerical device simulations to approximate non-equilibrium Green's function current characteristics without arbitrary fitting. This allows efficient first-order calibration of semiclassical models for interband tunneling in nanodevices.

Spatiotemporal dynamics of oscillatory cellular patterns in three-dimensional directional solidification.

PubMed

Bergeon, N; Tourret, D; Chen, L; Debierre, J-M; Guérin, R; Ramirez, A; Billia, B; Karma, A; Trivedi, R

2013-05-31

We report results of directional solidification experiments conducted on board the International Space Station and quantitative phase-field modeling of those experiments. The experiments image for the first time in situ the spatially extended dynamics of three-dimensional cellular array patterns formed under microgravity conditions where fluid flow is suppressed. Experiments and phase-field simulations reveal the existence of oscillatory breathing modes with time periods of several 10's of minutes. Oscillating cells are usually noncoherent due to array disorder, with the exception of small areas where the array structure is regular and stable.

Application of an inverse method for calculating three-dimensional fault geometries and clip vectors, Nun River Field, Nigeria

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

Kerr, H.G.; White, N.

A general, automatic method for determining the three-dimensional geometry of a normal fault of any shape and size is applied to a three-dimensional seismic reflection data set from the Nun River field, Nigeria. In addition to calculating fault geometry, the method also automatically retrieves the extension direction without requiring any previous information about either the fault shape or the extension direction. Solutions are found by minimizing the misfit between sets of faults that are calculated from the observed geometries of two or more hanging-wall beds. In the example discussed here, the predicted fault surface is in excellent agreement with themore » shape of the seismically imaged fault. Although the calculated extension direction is oblique to the average strike of the fault, the value of this parameter is not well resolved. Our approach differs markedly from standard section-balancing models in two important ways. First, we do not assume that the extension direction is known, and second, the use of inverse theory ensures that formal confidence bounds can be determined for calculated fault geometries. This ability has important implications for a range of geological problems encountered at both exploration and production scales. In particular, once the three-dimensional displacement field has been constrained, the difficult but important problem of three-dimensional palinspastic restoration of hanging-wall structures becomes tractable.« less

Direct Manipulation in Virtual Reality

NASA Technical Reports Server (NTRS)

Bryson, Steve

2003-01-01

Virtual Reality interfaces offer several advantages for scientific visualization such as the ability to perceive three-dimensional data structures in a natural way. The focus of this chapter is direct manipulation, the ability for a user in virtual reality to control objects in the virtual environment in a direct and natural way, much as objects are manipulated in the real world. Direct manipulation provides many advantages for the exploration of complex, multi-dimensional data sets, by allowing the investigator the ability to intuitively explore the data environment. Because direct manipulation is essentially a control interface, it is better suited for the exploration and analysis of a data set than for the publishing or communication of features found in that data set. Thus direct manipulation is most relevant to the analysis of complex data that fills a volume of three-dimensional space, such as a fluid flow data set. Direct manipulation allows the intuitive exploration of that data, which facilitates the discovery of data features that would be difficult to find using more conventional visualization methods. Using a direct manipulation interface in virtual reality, an investigator can, for example, move a data probe about in space, watching the results and getting a sense of how the data varies within its spatial volume.

Three Dimensional Flow and Pressure Patterns in a Single Pocket of a Hydrostatic Journal Bearing

NASA Technical Reports Server (NTRS)

Braun, M. Jack; Dzodzo, Milorad B.

1996-01-01

The flow in a hydrostatic pocket is described by a mathematical model that uses the three dimensional Navier-Stokes equations written in terms of the primary variables, u, v, w, and p. Using a conservative formulation, a finite volume multi-block method is applied through a collocated, body fitted grid. The flow is simulated in a shallow pocket with a depth/length ratio of 0.02. The flow structures obtained and described by the authors in their previous two dimensional models are made visible in their three dimensional aspect for the Couette flow. It has been found that the flow regimes formed central and secondary vortical cells with three dimensional corkscrew-like structures that lead the fluid on an outward bound path in the axial direction of the pocket. The position of the central vortical cell center is at the exit region of the capillary restrictor feedline. It has also been determined that a fluid turn around zone occupies all the upstream space between the floor of the pocket and the runner, thus preventing any flow exit through the upstream port. The corresponding pressure distribution under the shaft presented as well. It was clearly established that for the Couette dominated case the pressure varies significantly in the pocket in the circumferential direction, while its variation is less pronounced axially.

Three-dimensional numerical simulations of crustal-scale wrenching using a non-linear failure criterion

NASA Astrophysics Data System (ADS)

Braun, Jean

1994-08-01

We have developed a three-dimensional finite element model to study wrench deformation of the crust regarded as an elasto-plastic material obeying Murrell's extension of Griffith's failure criterion. Numerical experiments using this model predict that the imposed basal wrenching is accommodated by an array of oblique Riedel-like shears and Y-shears (parallel to the direction of wrenching). The partitioning of deformation between the two types of structure depends on the width of the zone of imposed basal wrenching and the existence of a component of deformation in the x-direction (normal to the direction of wrenching). The Riedel shears are arranged in spiral-like structures that root into the basal wrench zone. In cross-section, the Riedel shears resemble wedge-shaped flower structures similar to those often observed in seismic cross-sections. The 'polarity' of the flower structures is positive (or palm-tree-like) in transpression experiments and negative (or tulip-like) in transtension experiments. The orientation of the Riedel shears throughout the crust obeys Mohr's hypothesis for incipient faulting combined with Murrell's failure criterion. The model also predicts plastic dilatancy inversely proportional to the square root of the confining pressure; this result agrees qualitatively with field observations and the results of sand-box experiments and quantitatively with direct measurement of dilatancy during high-pressure rock-deformation experiments.

3-D photo-patterning of refractive index structures in photosensitive thin film materials

DOEpatents

Potter, Jr., Barrett George; Potter, Kelly Simmons

2002-01-01

A method of making a three-dimensional refractive index structure in a photosensitive material using photo-patterning. The wavelengths at which a photosensitive material exhibits a change in refractive index upon exposure to optical radiation is first determined and then a portion of the surface of the photosensitive material is optically irradiated at a wavelength at which the photosensitive material exhibits a change in refractive index using a designed illumination system to produce a three-dimensional refractive index structure. The illumination system can be a micro-lenslet array, a macroscopic refractive lens array, or a binary optic phase mask. The method is a single-step, direct-write procedure to produce a designed refractive index structure.

Flexible metal patterning in glass microfluidic structures using femtosecond laser direct-write ablation followed by electroless plating

NASA Astrophysics Data System (ADS)

Xu, Jian; Midorikawa, Katsumi; Sugioka, Koji

2014-03-01

A simple and flexible technique for integrating metal micropatterns into glass microfluidic structures based on threedimensional femtosecond laser microfabrication is presented. Femtosecond laser direct writing followed by thermal treatment and successive chemical etching allows us to fabricate three-dimensional microfluidic structures such as microchannels and microreservoirs inside photosensitive glass. Then, the femtosecond laser direct-write ablation followed by electroless metal plating enables space-selective deposition of patterned metal films on desired locations of internal walls of the fabricated microfluidic structures. The developed technique is applied to integrate a metal microheater into a glass microchannel to control the temperature of liquid samples in the channel, which can be used as a microreactor for enhancement of chemical reactions.

System and method for representing and manipulating three-dimensional objects on massively parallel architectures

DOEpatents

Karasick, Michael S.; Strip, David R.

1996-01-01

A parallel computing system is described that comprises a plurality of uniquely labeled, parallel processors, each processor capable of modelling a three-dimensional object that includes a plurality of vertices, faces and edges. The system comprises a front-end processor for issuing a modelling command to the parallel processors, relating to a three-dimensional object. Each parallel processor, in response to the command and through the use of its own unique label, creates a directed-edge (d-edge) data structure that uniquely relates an edge of the three-dimensional object to one face of the object. Each d-edge data structure at least includes vertex descriptions of the edge and a description of the one face. As a result, each processor, in response to the modelling command, operates upon a small component of the model and generates results, in parallel with all other processors, without the need for processor-to-processor intercommunication.

Observation of Vacancies, Faults, and Superstructures in Ln5Mo2O12 (Ln = La, Y, and Lu) Compounds with Direct Mo-Mo Bonding.

PubMed

Colabello, Diane M; Sobalvarro, Elizabeth M; Sheckelton, John P; Neuefeind, Joerg C; McQueen, Tyrel M; Khalifah, Peter G

2017-11-06

Among oxide compounds with direct metal-metal bonding, the Y 5 Mo 2 O 12 (A 5 B 2 O 12 ) structural family of compounds has a particularly intriguing low-dimensional structure due to the presence of bioctahedral B 2 O 10 dimers arranged in one-dimensional edge-sharing chains along the direction of the metal-metal bonds. Furthermore, these compounds can have a local magnetic moment due to the noninteger oxidation state (+4.5) of the transition metal, in contrast to the conspicuous lack of a local moment that is commonly observed when oxide compounds with direct metal-metal bonding have integer oxidation states resulting from the lifting of orbital degeneracy typically induced by the metal-metal bonding. Although a monoclinic C2/m structure has been previously proposed for Ln 5 Mo 2 O 12 (Ln = La-Lu and Y) members of this family based on prior single crystal diffraction data, it is found that this structural model misses many important structural features. On the basis of synchrotron powder diffraction data, it is shown that the C2/m monoclinic unit cell represents a superstructure relative to a previously unrecognized orthorhombic Immm subcell and that the superstructure derives from the ordering of interchangeable Mo 2 O 10 and LaO 6 building blocks. The superstructure for this reason is typically highly faulted, as evidenced by the increased breadth of superstructure diffraction peaks associated with a coherence length of 1-2 nm in the c* direction. Finally, it is shown that oxygen vacancies can occur when Ln = La, producing an oxygen deficient stoichiometry of La 5 Mo 2 O 11.55 and an approximately 10-fold reduction in the number of unpaired electrons due to the reduction of the average Mo valence from +4.5 to +4.05, a result confirmed by magnetic susceptibility measurements. This represents the first observation of oxygen vacancies in this family of compounds and provides an important means of continuously tuning the magnetic interactions within the one-dimensional octahedral chains of this system.

Observation of Vacancies, Faults, and Superstructures in Ln 5Mo 2O 12 (Ln = La, Y, and Lu) Compounds with Direct Mo–Mo Bonding

DOE PAGES

Colabello, Diane M.; Sobalvarro, Elizabeth M.; Sheckelton, John P.; ...

2017-10-26

Among oxide compounds with direct metal–metal bonding, the Y 5Mo 2O 12 (A 5B 2O 12) structural family of compounds has a particularly intriguing low-dimensional structure due to the presence of bioctahedral B 2O 10 dimers arranged in one-dimensional edge-sharing chains along the direction of the metal–metal bonds. Furthermore, these compounds can have a local magnetic moment due to the noninteger oxidation state (+4.5) of the transition metal, in contrast to the conspicuous lack of a local moment that is commonly observed when oxide compounds with direct metal–metal bonding have integer oxidation states resulting from the lifting of orbital degeneracymore » typically induced by the metal–metal bonding. Although a monoclinic C2/m structure has been previously proposed for Ln 5Mo 2O 12 (Ln = La–Lu and Y) members of this family based on prior single crystal diffraction data, it is found that this structural model misses many important structural features. On the basis of synchrotron powder diffraction data, it is shown in this paper that the C2/m monoclinic unit cell represents a superstructure relative to a previously unrecognized orthorhombic Immm subcell and that the superstructure derives from the ordering of interchangeable Mo 2O 10 and LaO 6 building blocks. The superstructure for this reason is typically highly faulted, as evidenced by the increased breadth of superstructure diffraction peaks associated with a coherence length of 1–2 nm in the c* direction. Finally, it is shown that oxygen vacancies can occur when Ln = La, producing an oxygen deficient stoichiometry of La 5Mo 2O 11.55 and an approximately 10-fold reduction in the number of unpaired electrons due to the reduction of the average Mo valence from +4.5 to +4.05, a result confirmed by magnetic susceptibility measurements. Finally, this represents the first observation of oxygen vacancies in this family of compounds and provides an important means of continuously tuning the magnetic interactions within the one-dimensional octahedral chains of this system.« less

Observation of Vacancies, Faults, and Superstructures in Ln 5Mo 2O 12 (Ln = La, Y, and Lu) Compounds with Direct Mo–Mo Bonding

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

Colabello, Diane M.; Sobalvarro, Elizabeth M.; Sheckelton, John P.

Among oxide compounds with direct metal–metal bonding, the Y 5Mo 2O 12 (A 5B 2O 12) structural family of compounds has a particularly intriguing low-dimensional structure due to the presence of bioctahedral B 2O 10 dimers arranged in one-dimensional edge-sharing chains along the direction of the metal–metal bonds. Furthermore, these compounds can have a local magnetic moment due to the noninteger oxidation state (+4.5) of the transition metal, in contrast to the conspicuous lack of a local moment that is commonly observed when oxide compounds with direct metal–metal bonding have integer oxidation states resulting from the lifting of orbital degeneracymore » typically induced by the metal–metal bonding. Although a monoclinic C2/m structure has been previously proposed for Ln 5Mo 2O 12 (Ln = La–Lu and Y) members of this family based on prior single crystal diffraction data, it is found that this structural model misses many important structural features. On the basis of synchrotron powder diffraction data, it is shown in this paper that the C2/m monoclinic unit cell represents a superstructure relative to a previously unrecognized orthorhombic Immm subcell and that the superstructure derives from the ordering of interchangeable Mo 2O 10 and LaO 6 building blocks. The superstructure for this reason is typically highly faulted, as evidenced by the increased breadth of superstructure diffraction peaks associated with a coherence length of 1–2 nm in the c* direction. Finally, it is shown that oxygen vacancies can occur when Ln = La, producing an oxygen deficient stoichiometry of La 5Mo 2O 11.55 and an approximately 10-fold reduction in the number of unpaired electrons due to the reduction of the average Mo valence from +4.5 to +4.05, a result confirmed by magnetic susceptibility measurements. Finally, this represents the first observation of oxygen vacancies in this family of compounds and provides an important means of continuously tuning the magnetic interactions within the one-dimensional octahedral chains of this system.« less

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.

Functional Strain-Line Pattern in the Human Left Ventricle

NASA Astrophysics Data System (ADS)

Pedrizzetti, Gianni; Kraigher-Krainer, Elisabeth; De Luca, Alessio; Caracciolo, Giuseppe; Mangual, Jan O.; Shah, Amil; Toncelli, Loira; Domenichini, Federico; Tonti, Giovanni; Galanti, Giorgio; Sengupta, Partho P.; Narula, Jagat; Solomon, Scott

2012-07-01

Analysis of deformations in terms of principal directions appears well suited for biological tissues that present an underlying anatomical structure of fiber arrangement. We applied this concept here to study deformation of the beating heart in vivo analyzing 30 subjects that underwent accurate three-dimensional echocardiographic recording of the left ventricle. Results show that strain develops predominantly along the principal direction with a much smaller transversal strain, indicating an underlying anisotropic, one-dimensional contractile activity. The strain-line pattern closely resembles the helical anatomical structure of the heart muscle. These findings demonstrate that cardiac contraction occurs along spatially variable paths and suggest a potential clinical significance of the principal strain concept for the assessment of mechanical cardiac function. The same concept can help in characterizing the relation between functional and anatomical properties of biological tissues, as well as fiber-reinforced engineered materials.

Three-dimensional structural dynamics and fluctuations of DNA-nanogold conjugates by individual-particle electron tomography

NASA Astrophysics Data System (ADS)

Zhang, Lei; Lei, Dongsheng; Smith, Jessica M.; Zhang, Meng; Tong, Huimin; Zhang, Xing; Lu, Zhuoyang; Liu, Jiankang; Alivisatos, A. Paul; Ren, Gang

2016-03-01

DNA base pairing has been used for many years to direct the arrangement of inorganic nanocrystals into small groupings and arrays with tailored optical and electrical properties. The control of DNA-mediated assembly depends crucially on a better understanding of three-dimensional structure of DNA-nanocrystal-hybridized building blocks. Existing techniques do not allow for structural determination of these flexible and heterogeneous samples. Here we report cryo-electron microscopy and negative-staining electron tomography approaches to image, and three-dimensionally reconstruct a single DNA-nanogold conjugate, an 84-bp double-stranded DNA with two 5-nm nanogold particles for potential substrates in plasmon-coupling experiments. By individual-particle electron tomography reconstruction, we obtain 14 density maps at ~2-nm resolution. Using these maps as constraints, we derive 14 conformations of dsDNA by molecular dynamics simulations. The conformational variation is consistent with that from liquid solution, suggesting that individual-particle electron tomography could be an expected approach to study DNA-assembling and flexible protein structure and dynamics.

Multitopic ligand directed assembly of low-dimensional metal-chalcogenide organic frameworks.

PubMed

Liu, Yi; Ye, Kaiqi; Wang, Yue; Zhang, Qichun; Bu, Xianhui; Feng, Pingyun

2017-01-31

Despite tremendous progress in metal-organic frameworks, only limited success has been achieved with metal-chalcogenide organic frameworks. Metal-chalcogenide organic frameworks are desirable because they offer a promising route towards tunable semiconducting porous frameworks. Here, four novel semiconducting chalcogenide-organic hybrid compounds have been synthesized through a solvothermal method. Multitopic organic molecules, i.e., 1,2-di-(4-pyridyl)ethylene (L 1 ), 1,3,5-tris(4-pyridyl-trans-ethenyl)benzene (L 2 ) and tetrakis(4-pyridyloxymethylene)methane (L 3 ), have been used as linkers to assemble Zn(SAr) 2 or Zn 2 (SAr) 4 units to generate different patterns of spatial organizations. Single-crystal structural analyses indicate that compounds NTU-2, NTU-3 and NTU-4 possess two-dimensional layer structures, while compound NTU-1 adopts a one-dimensional coordination framework (NTU-n, where n is the number related to a specific structure). The diffuse-reflectance spectra demonstrate that these four compounds possess indirect bandgaps and their tunable bandgaps are correlated with their compositions and crystal structures.

Vapor-solid growth of one-dimensional layer-structured gallium sulfide nanostructures.

PubMed

Shen, Guozhen; Chen, Di; Chen, Po-Chiang; Zhou, Chongwu

2009-05-26

Gallium sulfide (GaS) is a wide direct bandgap semiconductor with uniform layered structure used in photoelectric devices, electrical sensors, and nonlinear optical applications. We report here the controlled synthesis of various high-quality one-dimensional GaS nanostructures (thin nanowires, nanobelts, and zigzag nanobelts) as well as other kinds of GaS products (microbelts, hexagonal microplates, and GaS/Ga(2)O(3) heterostructured nanobelts) via a simple vapor-solid method. The morphology and structures of the products can be easily controlled by substrate temperature and evaporation source. Optical properties of GaS thin nanowires and nanobelts were investigated and both show an emission band centered at 580 nm.

Preliminary study of the three-dimensional deformation of the vortex in Karman vortex street

NASA Astrophysics Data System (ADS)

Ling, Guocan; Guo, Liang; Wu, Zuobin; Ma, Huiyang

1992-03-01

The mechanism for 3D evolution of the isolated Karman vortex and the thin-vortex filament in a circular cylinder wake is studied numerically using the LIA method. The results show that the vortex motion is unstable for small 3D disturbances in the separated wake of a circular cylinder. Karman vortex in the time-averaged wake flowfield wolves into a horseshoe-spoon-like 3D structure. The thin vortex filament deforms three-dimensionally in the braid and generates streamwise vortex structures which incline to the region maximum-deformation direction of the flowfield.

Protein Engineering Approaches in the Post-Genomic Era.

PubMed

Singh, Raushan K; Lee, Jung-Kul; Selvaraj, Chandrabose; Singh, Ranjitha; Li, Jinglin; Kim, Sang-Yong; Kalia, Vipin C

2018-01-01

Proteins are one of the most multifaceted macromolecules in living systems. Proteins have evolved to function under physiological conditions and, therefore, are not usually tolerant of harsh experimental and environmental conditions. The growing use of proteins in industrial processes as a greener alternative to chemical catalysts often demands constant innovation to improve their performance. Protein engineering aims to design new proteins or modify the sequence of a protein to create proteins with new or desirable functions. With the emergence of structural and functional genomics, protein engineering has been invigorated in the post-genomic era. The three-dimensional structures of proteins with known functions facilitate protein engineering approaches to design variants with desired properties. There are three major approaches of protein engineering research, namely, directed evolution, rational design, and de novo design. Rational design is an effective method of protein engineering when the threedimensional structure and mechanism of the protein is well known. In contrast, directed evolution does not require extensive information and a three-dimensional structure of the protein of interest. Instead, it involves random mutagenesis and selection to screen enzymes with desired properties. De novo design uses computational protein design algorithms to tailor synthetic proteins by using the three-dimensional structures of natural proteins and their folding rules. The present review highlights and summarizes recent protein engineering approaches, and their challenges and limitations in the post-genomic era. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

HOTCFGM-2D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Bi-Directionally Components with Bi-Directionally Graded Microstructures

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob

2000-01-01

The objective of this two-year project was to develop and deliver to the NASA-Glenn Research Center a two-dimensional higher-order theory, and related computer codes, for the analysis and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, brisk blades). To satisfy this objective, two-dimensional version of the higher-order theory, HOTCFGM-2D, and four computer codes based on this theory, for the analysis and design of structural components functionally graded in the radial and circumferential directions were developed in the cylindrical coordinate system r-Theta-z. This version of the higher-order theory is a significant generalization of the one-dimensional theory, HOTCFGM-1D, developed during the FY97 for the analysis and design of cylindrical structural components with radially graded microstructures. The generalized theory is applicable to thin multi-phased composite shells/cylinders subjected to steady-state thermomechanical, transient thermal and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial direction, and arbitrarily distributed in the radial and circumferential direction, thereby allowing functional grading of the internal reinforcement in the r-Theta plane. The four computer codes fgmc3dq.cylindrical.f, fgmp3dq.cylindrical.f, fgmgvips3dq.cylindrical.f, and fgmc3dq.cylindrical.transient.f are research-oriented codes for investigating the effect of functionally graded architectures, as well as the properties of the multi-phase reinforcement, in thin shells subjected to thermomechanical and inertial loading, on the internal temperature, stress and (inelastic) strain fields. The reinforcement distribution in the radial and circumferential directions is specified by the user. The thermal and inelastic properties of the individual phases can vary with temperature. The inelastic phases are presently modeled by the power-law creep model generalized to multi-directional loading (within fgmc3dq.cylindrical.f and fgmc3dq.cylindrical.transient.f for steady-state and transient thermal loading, respectively), and incremental plasticity and GVIPS unified viscoplasticity theories (within the steady-state loading versions fgmp3dq.cylindrical.f and fgmgvips3dq.cylindrical.f).

Shear flow of one-component polarizable fluid in a strong electric field

NASA Astrophysics Data System (ADS)

Sun, J. M.; Tao, R.

1996-04-01

A shear flow of one-component polarizable fluid in a strong electric field has a structural transition at a critical shear stress. When the shear stress is increased from zero up to the critical shear stress, the flow (in the x direction) has a flowing-chain (FC) structure, consisting of tilted or broken chains along the field (z direction). At the critical shear stress, the FC structure gives way to a flowing-hexagonal-layered (FHL) structure, consisting of several two-dimensional layers which are parallel to the x-z plane. Within one layer, particles form strings in the flow direction. Strings are constantly sliding over particles in strings right beneath. The effective viscosity drops dramatically at the structural change. As the shear stress reduces, the FHL structure persists even under a stress-free state if the thermal fluctuation is very weak. This structure change in the charging and discharging process produces a large hysteresis.

Three-dimensional multiscale analysis of degradation of nano- and micro-structure in direct methanol fuel cell electrodes after methanol starvation

NASA Astrophysics Data System (ADS)

Netzeband, Christian; Arlt, Tobias; Wippermann, Klaus; Lehnert, Werner; Manke, Ingo

2016-09-01

This study investigates the ageing effects on the microstructure of the anode catalyst layer of direct methanol fuel cells (DMFC) after complete methanol starvation. To this end the samples of two methanol-depleted membrane electrode assemblies (MEA) have been compared with a pristine reference sample. A three-dimensional characterization of the anode catalyst layer (ACL) structure on a nanometer scale has been conducted by focused ion beam (FIB)/scanning electron microscope (SEM) tomography. The FIB/SEM tomography allows for a detailed analysis of statistic parameters of micro-structured materials, such as porosity, tortuosity and pore size distributions. Furthermore, the SEM images displayed a high material contrast between the heavy catalyst metals (Pt/Ru) and the relatively light carbon support, which made it possible to map the catalyst distribution in the acquired FIB/SEM tomographies. Additional synchrotron X-ray tomographies have been conducted in order to obtain an overview of the structural changes of all the components of a section of the MEAs after methanol depletion.

Electronic band structure of ReS2 by high-resolution angle-resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Webb, James L.; Hart, Lewis S.; Wolverson, Daniel; Chen, Chaoyu; Avila, Jose; Asensio, Maria C.

2017-09-01

The rhenium-based transition metal dichalcogenides (TMDs) are atypical of the TMD family due to their highly anisotropic crystalline structure and are recognized as promising materials for two-dimensional heterostructure devices. The nature of the band gap (direct or indirect) for bulk, few-, and single-layer forms of ReS2 is of particular interest, due to its comparatively weak interplanar interaction. However, the degree of interlayer interaction and the question of whether a transition from indirect to direct gap is observed on reducing thickness (as in other TMDs) are controversial. We present a direct determination of the valence band structure of bulk ReS2 using high-resolution angle-resolved photoemission spectroscopy. We find a clear in-plane anisotropy due to the presence of chains of Re atoms, with a strongly directional effective mass which is larger in the direction orthogonal to the Re chains (2.2 me ) than along them (1.6 me ). An appreciable interplane interaction results in an experimentally measured difference of ≈100 -200 meV between the valence band maxima at the Z point (0,0,1/2 ) and the Γ point (0,0,0) of the three-dimensional Brillouin zone. This leads to a direct gap at Z and a close-lying but larger gap at Γ , implying that bulk ReS2 is marginally indirect. This may account for recent conflicting transport and photoluminescence measurements and the resulting uncertainty about the nature of the band gap in this material.

Three-dimensional reciprocal space x-ray coherent scattering tomography of two-dimensional object.

PubMed

Zhu, Zheyuan; Pang, Shuo

2018-04-01

X-ray coherent scattering tomography is a powerful tool in discriminating biological tissues and bio-compatible materials. Conventional x-ray scattering tomography framework can only resolve isotropic scattering profile under the assumption that the material is amorphous or in powder form, which is not true especially for biological samples with orientation-dependent structure. Previous tomography schemes based on x-ray coherent scattering failed to preserve the scattering pattern from samples with preferred orientations, or required elaborated data acquisition scheme, which could limit its application in practical settings. Here, we demonstrate a simple imaging modality to preserve the anisotropic scattering signal in three-dimensional reciprocal (momentum transfer) space of a two-dimensional sample layer. By incorporating detector movement along the direction of x-ray beam, combined with a tomographic data acquisition scheme, we match the five dimensions of the measurements with the five dimensions (three in momentum transfer domain, and two in spatial domain) of the object. We employed a collimated pencil beam of a table-top copper-anode x-ray tube, along with a panel detector to investigate the feasibility of our method. We have demonstrated x-ray coherent scattering tomographic imaging at a spatial resolution ~2 mm and momentum transfer resolution 0.01 Å -1 for the rotation-invariant scattering direction. For any arbitrary, non-rotation-invariant direction, the same spatial and momentum transfer resolution can be achieved based on the spatial information from the rotation-invariant direction. The reconstructed scattering profile of each pixel from the experiment is consistent with the x-ray diffraction profile of each material. The three-dimensional scattering pattern recovered from the measurement reveals the partially ordered molecular structure of Teflon wrap in our sample. We extend the applicability of conventional x-ray coherent scattering tomography to the reconstruction of two-dimensional samples with anisotropic scattering profile by introducing additional degree of freedom on the detector. The presented method has the potential to achieve low-cost, high-specificity material discrimination based on x-ray coherent scattering. © 2018 American Association of Physicists in Medicine.

Analysing the magnetopause internal structure: new possibilities offered by MMS

NASA Astrophysics Data System (ADS)

Belmont, G.; Rezeau, L.; Manuzzo, R.; Aunai, N.; Dargent, J.

2017-12-01

We explore the structure of the magnetopause using a crossing observed by the MMS spacecraft on October 16th, 2015. Several methods (MVA, BV, CVA) are first applied to compute the normal to the magnetopause considered as a whole. The different results obtained are not identical and we show that the whole boundary is not stationary and not planar, so that basic assumptions of these methods are not well satisfied. We then analyse more finely the internal structure for investigating the departures from planarity. Using the basic mathematical definition of what is a one-dimensional physical problem, we introduce a new method, called LNA (Local Normal Analysis) for determining the varying normal, and we compare the results so obtained with those coming from the MDD tool developed by [Shi et al., 2005]. This method gives the dimensionality of the magnetic variations from multi-point measurements and allows estimating the direction of the local normal using the magnetic field. On the other hand, LNA is a single-spacecraft method which gives the local normal from the magnetic field and particle data. This study shows that the magnetopause does include approximate one-dimensional sub-structures but also two and three dimensional intervals. It also shows that the dimensionality of the magnetic variations can differ from the variations of the other fields so that, at some places, the magnetic field can have a 1D structure although all the plasma variations do not verify the properties of a global one-dimensional problem. Finally a generalisation and a systematic application of the MDD method to the physical quantities of interest is shown.

Inter-ribbon tunneling in graphene: An atomistic Bardeen approach

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

Van de Put, Maarten L., E-mail: maarten.vandeput@uantwerpen.be; Magnus, Wim; imec, B-3001 Heverlee

A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases inmore » current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states.« less

The applications of a higher-dimensional Lie algebra and its decomposed subalgebras

PubMed Central

Yu, Zhang; Zhang, Yufeng

2009-01-01

With the help of invertible linear transformations and the known Lie algebras, a higher-dimensional 6 × 6 matrix Lie algebra sμ(6) is constructed. It follows a type of new loop algebra is presented. By using a (2 + 1)-dimensional partial-differential equation hierarchy we obtain the integrable coupling of the (2 + 1)-dimensional KN integrable hierarchy, then its corresponding Hamiltonian structure is worked out by employing the quadratic-form identity. Furthermore, a higher-dimensional Lie algebra denoted by E, is given by decomposing the Lie algebra sμ(6), then a discrete lattice integrable coupling system is produced. A remarkable feature of the Lie algebras sμ(6) and E is used to directly construct integrable couplings. PMID:20084092

The applications of a higher-dimensional Lie algebra and its decomposed subalgebras.

PubMed

Yu, Zhang; Zhang, Yufeng

2009-01-15

With the help of invertible linear transformations and the known Lie algebras, a higher-dimensional 6 x 6 matrix Lie algebra smu(6) is constructed. It follows a type of new loop algebra is presented. By using a (2 + 1)-dimensional partial-differential equation hierarchy we obtain the integrable coupling of the (2 + 1)-dimensional KN integrable hierarchy, then its corresponding Hamiltonian structure is worked out by employing the quadratic-form identity. Furthermore, a higher-dimensional Lie algebra denoted by E, is given by decomposing the Lie algebra smu(6), then a discrete lattice integrable coupling system is produced. A remarkable feature of the Lie algebras smu(6) and E is used to directly construct integrable couplings.

Suitability of a three-dimensional model to measure empathy and its relationship with social and normative adjustment in Spanish adolescents: a cross-sectional study

PubMed Central

Gómez-Ortiz, Olga; Ortega-Ruiz, Rosario; Jolliffe, Darrick; Romera, Eva M.

2017-01-01

Objectives (1) To examine the psychometric properties of the Basic Empathy Scale (BES) with Spanish adolescents, comparing a two and a three-dimensional structure;(2) To analyse the relationship between the three-dimensional empathy and social and normative adjustment in school. Design Transversal and ex post facto retrospective study. Confirmatory factorial analysis, multifactorial invariance analysis and structural equations models were used. Participants 747 students (51.3% girls) from Cordoba, Spain, aged 12–17 years (M=13.8; SD=1.21). Results The original two-dimensional structure was confirmed (cognitive empathy, affective empathy), but a three-dimensional structure showed better psychometric properties, highlighting the good fit found in confirmatory factorial analysis and adequate internal consistent valued, measured with Cronbach’s alpha and McDonald’s omega. Composite reliability and average variance extracted showed better indices for a three-factor model. The research also showed evidence of measurement invariance across gender. All the factors of the final three-dimensional BES model were direct and significantly associated with social and normative adjustment, being most strongly related to cognitive empathy. Conclusions This research supports the advances in neuroscience, developmental psychology and psychopathology through a three-dimensional version of the BES, which represents an improvement in the original two-factorial model. The organisation of empathy in three factors benefits the understanding of social and normative adjustment in adolescents, in which emotional disengagement favours adjusted peer relationships. Psychoeducational interventions aimed at improving the quality of social life in schools should target these components of empathy. PMID:28951400

Capsize of polarization in dilute photonic crystals.

PubMed

Gevorkian, Zhyrair; Hakhoumian, Arsen; Gasparian, Vladimir; Cuevas, Emilio

2017-11-29

We investigate, experimentally and theoretically, polarization rotation effects in dilute photonic crystals with transverse permittivity inhomogeneity perpendicular to the traveling direction of waves. A capsize, namely a drastic change of polarization to the perpendicular direction is observed in a one-dimensional photonic crystal in the frequency range 10 ÷ 140 GHz. To gain more insights into the rotational mechanism, we have developed a theoretical model of dilute photonic crystal, based on Maxwell's equations with a spatially dependent two dimensional inhomogeneous dielectric permittivity. We show that the polarization's rotation can be explained by an optical splitting parameter appearing naturally in Maxwell's equations for magnetic or electric fields components. This parameter is an optical analogous of Rashba like spin-orbit interaction parameter present in quantum waves, introduces a correction to the band structure of the two-dimensional Bloch states, creates the dynamical phase shift between the waves propagating in the orthogonal directions and finally leads to capsizing of the initial polarization. Excellent agreement between theory and experiment is found.

Direct reconstruction of the two-dimensional pair distribution function in partially ordered systems with angular correlations.

PubMed

Zaluzhnyy, I A; Kurta, R P; Menushenkov, A P; Ostrovskii, B I; Vartanyants, I A

2016-09-01

An x-ray scattering approach to determine the two-dimensional (2D) pair distribution function (PDF) in partially ordered 2D systems is proposed. We derive relations between the structure factor and PDF that enable quantitative studies of positional and bond-orientational (BO) order in real space. We apply this approach in the x-ray study of a liquid crystal (LC) film undergoing the smectic-A-hexatic-B phase transition, to analyze the interplay between the positional and BO order during the temperature evolution of the LC film. We analyze the positional correlation length in different directions in real space.

Representing and comparing protein structures as paths in three-dimensional space

PubMed Central

Zhi, Degui; Krishna, S Sri; Cao, Haibo; Pevzner, Pavel; Godzik, Adam

2006-01-01

Background Most existing formulations of protein structure comparison are based on detailed atomic level descriptions of protein structures and bypass potential insights that arise from a higher-level abstraction. Results We propose a structure comparison approach based on a simplified representation of proteins that describes its three-dimensional path by local curvature along the generalized backbone of the polypeptide. We have implemented a dynamic programming procedure that aligns curvatures of proteins by optimizing a defined sum turning angle deviation measure. Conclusion Although our procedure does not directly optimize global structural similarity as measured by RMSD, our benchmarking results indicate that it can surprisingly well recover the structural similarity defined by structure classification databases and traditional structure alignment programs. In addition, our program can recognize similarities between structures with extensive conformation changes that are beyond the ability of traditional structure alignment programs. We demonstrate the applications of procedure to several contexts of structure comparison. An implementation of our procedure, CURVE, is available as a public webserver. PMID:17052359

Large 3D direct laser written scaffolds for tissue engineering applications

NASA Astrophysics Data System (ADS)

Trautmann, Anika; Rüth, Marieke; Lemke, Horst-Dieter; Walther, Thomas; Hellmann, Ralf

2018-01-01

We report on the fabrication of three-dimensional direct laser written scaffolds for tissue engineering and the seeding of primary fibroblasts on these structures. Scaffolds are realized by two-photon absorption induced polymerization in the inorganic-organic hybrid polymer OrmoComp using a 515 nm femtosecond laser. A nonstop single-line single-pass writing process is implemented in order to produce periodic reproducible large scaled structures with a dimension in the range of several millimeters and reduce process time to less than one hour. This method allows us to determine optimized process parameters for writing stable structures while achieving pore sizes ranging from 5 μm to 90 μm and a scanning speed of up to 5 mm/s. After a multi-stage post-treatment, normal human dermal fibroblasts are applied to the scaffolds to test if these macroscopic structures with large surface and numerous small gaps between the pores provide nontoxic conditions. Furthermore, we study the cell behavior in this environment and observe both cell growth on as well as ingrowth on the three-dimensional structures. In particular, fibroblasts adhere and grow also on the vertical walls of the scaffolds.

Three-dimensional artificial spin ice in nanostructured Co on an inverse opal-like lattice

NASA Astrophysics Data System (ADS)

Mistonov, A. A.; Grigoryeva, N. A.; Chumakova, A. V.; Eckerlebe, H.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Menzel, D.; Grigoriev, S. V.

2013-06-01

The evolution of the magnetic structure for an inverse opal-like structure under an applied magnetic field is studied by small-angle neutron scattering. The samples were produced by filling the voids of an artificial opal film with Co. It is shown that the local configuration of magnetization is inhomogeneous over the basic element of the inverse opal-like lattice structure (IOLS) but follows its periodicity. Applying the “ice-rule” concept to the structure, we describe the local magnetization of this ferromagnetic three-dimensional lattice. We have developed a model of the remagnetization process predicting the occurrence of an unusual perpendicular component of the magnetization in the IOLS which is defined only by the direction and strength of the applied magnetic field.

Direct Prototyping of Patterned Nanoporous Carbon: A Route from Materials to On-chip Devices

PubMed Central

Shen, Caiwei; Wang, Xiaohong; Zhang, Wenfeng; Kang, Feiyu

2013-01-01

Prototyping of nanoporous carbon membranes with three-dimensional microscale patterns is significant for integration of such multifunctional materials into various miniaturized systems. Incorporating nano material synthesis into microelectronics technology, we present a novel approach to direct prototyping of carbon membranes with highly nanoporous structures inside. Membranes with significant thicknesses (1 ~ 40 μm) are rapidly prototyped at wafer level by combining nano templating method with readily available microfabrication techniques, which include photolithography, high-temperature annealing and etching. In particular, the high-surface-area membranes are specified as three-dimensional electrodes for micro supercapacitors and show high performance compared to reported ones. Improvements in scalability, compatibility and cost make the general strategy promising for batch fabrication of operational on-chip devices or full integration of three-dimensional nanoporous membranes with existing micro systems. PMID:23887486

Microfabrication technology by femtosecond laser direct scanning using two-photon photo-polymerization

NASA Astrophysics Data System (ADS)

Zhou, Ming; Liu, Li-Peng; Dai, Qi-Xun; Pan, Chuan-Peng

2005-01-01

Two-photon absorption (TPA) is confined at the focus under tight-focusing conditions, which provides a novel concept for micro-fabrication using two-photon photo-polymerization in resin. The development of three-dimensional micro-fabrication by femtosecond laser was introduced at first, then the merits of femtosecond two-photon photo-polymerization was expatiated. Femtosecond laser direct scanning three-dimensional (3D) micro-fabrication system was set up and corresponding controlling software was developed. We demonstrated a fabrication of three-dimensional microstructures using photo-polymerization of resin by two-photon absorption. The precision of micro-machining and the spatial resolution reached 1um because of TPA. The dependence of fabricated line width to the micro-fabrication speed was investigated. Benzene ring, CHINA and layer-by-layer of log structures were fabricated in this 3D- micro-fabrication system as examples.

Multi-Dimensional, Inviscid Flux Reconstruction for Simulation of Hypersonic Heating on Tetrahedral Grids

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2009-01-01

The quality of simulated hypersonic stagnation region heating on tetrahedral meshes is investigated by using a three-dimensional, upwind reconstruction algorithm for the inviscid flux vector. Two test problems are investigated: hypersonic flow over a three-dimensional cylinder with special attention to the uniformity of the solution in the spanwise direction and hypersonic flow over a three-dimensional sphere. The tetrahedral cells used in the simulation are derived from a structured grid where cell faces are bisected across the diagonal resulting in a consistent pattern of diagonals running in a biased direction across the otherwise symmetric domain. This grid is known to accentuate problems in both shock capturing and stagnation region heating encountered with conventional, quasi-one-dimensional inviscid flux reconstruction algorithms. Therefore the test problem provides a sensitive test for algorithmic effects on heating. This investigation is believed to be unique in its focus on three-dimensional, rotated upwind schemes for the simulation of hypersonic heating on tetrahedral grids. This study attempts to fill the void left by the inability of conventional (quasi-one-dimensional) approaches to accurately simulate heating in a tetrahedral grid system. Results show significant improvement in spanwise uniformity of heating with some penalty of ringing at the captured shock. Issues with accuracy near the peak shear location are identified and require further study.

Fabrication of two-dimensional periodic structures on silicon after scanning irradiation with femtosecond laser multi-beams

NASA Astrophysics Data System (ADS)

Pan, An; Si, Jinhai; Chen, Tao; Li, Cunxia; Hou, Xun

2016-04-01

Two-dimensional (2D) periodic structures were fabricated on silicon surfaces by femtosecond laser irradiation in air and water, with the assistance of a microlens array (MLA) placed in the beam's path. By scanning the laser beam along the silicon surface, multiple grooves were simultaneously fabricated in parallel along with smaller laser-induced ripples. The 2D periodic structures contained long-periodic grooves and perpendicular short-periodic laser-induced ripples, which had periods of several microns and several hundred nanometers, respectively. We investigated the influence of laser power and scanning velocity on the morphological evolution of the 2D periodic structures in air and water. Large-area grid-like structures with ripples were fabricated by successively scanning once along each direction of the silicon's surface, which showed enhanced optical absorption. Hydrofluoric acid was then used to remove any oxygen and laser-induced defects for all-silicon structures.

A review of direct numerical simulations of astrophysical detonations and their implications

DOE PAGES

Parete-Koon, Suzanne T.; Smith, Christopher R.; Papatheodore, Thomas L.; ...

2013-04-11

Multi-dimensional direct numerical simulations (DNS) of astrophysical detonations in degenerate matter have revealed that the nuclear burning is typically characterized by cellular structure caused by transverse instabilities in the detonation front. Type Ia supernova modelers often use one- dimensional DNS of detonations as inputs or constraints for their whole star simulations. While these one-dimensional studies are useful tools, the true nature of the detonation is multi-dimensional. The multi-dimensional structure of the burning influences the speed, stability, and the composition of the detonation and its burning products, and therefore, could have an impact on the spectra of Type Ia supernovae. Considerablemore » effort has been expended modeling Type Ia supernovae at densities above 1x10 7 g∙cm -3 where the complexities of turbulent burning dominate the flame propagation. However, most full star models turn the nuclear burning schemes off when the density falls below 1x10 7 g∙cm -3 and distributed burning begins. The deflagration to detonation transition (DDT) is believed to occur at just these densities and consequently they are the densities important for studying the properties of the subsequent detonation. In conclusion, this work reviews the status of DNS studies of detonations and their possible implications for Type Ia supernova models. It will cover the development of Detonation theory from the first simple Chapman-Jouguet (CJ) detonation models to the current models based on the time-dependent, compressible, reactive flow Euler equations of fluid dynamics.« less

A new FIB fabrication method for micropillar specimens for three-dimensional observation using scanning transmission electron microscopy.

PubMed

Fukuda, Muneyuki; Tomimatsu, Satoshi; Nakamura, Kuniyasu; Koguchi, Masanari; Shichi, Hiroyasu; Umemura, Kaoru

2004-01-01

A new method to prepare micropillar specimens with a high aspect ratio that is suitable for three-dimensional scanning transmission electron microscopy (3D-STEM) was developed. The key features of the micropillar fabrication are: first, microsampling to extract a small piece including the structure of interest in an IC chip, and second, an ion-beam with an incident direction of 60 degrees to the pillar's axis that enables the parallel sidewalls of the pillar to be produced with a high aspect ratio. A memory-cell structure (length: 6 microm; width: 300 x 500 nm) was fabricated in the micropillar and observed from various directions with a 3D-STEM. A planiform capacitor covered with granular surfaces and a solid crossing gate and metal lines was successfully observed threedimensionally at a resolution of approximately 5 nm.

Surface representations of two- and three-dimensional fluid flow topology

NASA Technical Reports Server (NTRS)

Helman, James L.; Hesselink, Lambertus

1990-01-01

We discuss our work using critical point analysis to generate representations of the vector field topology of numerical flow data sets. Critical points are located and characterized in a two-dimensional domain, which may be either a two-dimensional flow field or the tangential velocity field near a three-dimensional body. Tangent curves are then integrated out along the principal directions of certain classes of critical points. The points and curves are linked to form a skeleton representing the two-dimensional vector field topology. When generated from the tangential velocity field near a body in a three-dimensional flow, the skeleton includes the critical points and curves which provide a basis for analyzing the three-dimensional structure of the flow separation. The points along the separation curves in the skeleton are used to start tangent curve integrations to generate surfaces representing the topology of the associated flow separations.

Vision in our three-dimensional world

PubMed Central

2016-01-01

Many aspects of our perceptual experience are dominated by the fact that our two eyes point forward. Whilst the location of our eyes leaves the environment behind our head inaccessible to vision, co-ordinated use of our two eyes gives us direct access to the three-dimensional structure of the scene in front of us, through the mechanism of stereoscopic vision. Scientific understanding of the different brain regions involved in stereoscopic vision and three-dimensional spatial cognition is changing rapidly, with consequent influences on fields as diverse as clinical practice in ophthalmology and the technology of virtual reality devices. This article is part of the themed issue ‘Vision in our three-dimensional world’. PMID:27269595

Research on the printability of hydrogels in 3D bioprinting

PubMed Central

He, Yong; Yang, FeiFei; Zhao, HaiMing; Gao, Qing; Xia, Bing; Fu, JianZhong

2016-01-01

As the biocompatible materials, hydrogels have been widely used in three- dimensional (3D) bioprinting/organ printing to load cell for tissue engineering. It is important to precisely control hydrogels deposition during printing the mimic organ structures. However, the printability of hydrogels about printing parameters is seldom addressed. In this paper, we systemically investigated the printability of hydrogels from printing lines (one dimensional, 1D structures) to printing lattices/films (two dimensional, 2D structures) and printing 3D structures with a special attention to the accurate printing. After a series of experiments, we discovered the relationships between the important factors such as air pressure, feedrate, or even printing distance and the printing quality of the expected structures. Dumbbell shape was observed in the lattice structures printing due to the hydrogel diffuses at the intersection. Collapses and fusion of adjacent layer would result in the error accumulation at Z direction which was an important fact that could cause printing failure. Finally, we successfully demonstrated a 3D printing hydrogel scaffold through harmonize with all the parameters. The cell viability after printing was compared with the casting and the results showed that our bioprinting method almost had no extra damage to the cells. PMID:27436509

Research on the printability of hydrogels in 3D bioprinting

NASA Astrophysics Data System (ADS)

He, Yong; Yang, Feifei; Zhao, Haiming; Gao, Qing; Xia, Bing; Fu, Jianzhong

2016-07-01

As the biocompatible materials, hydrogels have been widely used in three- dimensional (3D) bioprinting/organ printing to load cell for tissue engineering. It is important to precisely control hydrogels deposition during printing the mimic organ structures. However, the printability of hydrogels about printing parameters is seldom addressed. In this paper, we systemically investigated the printability of hydrogels from printing lines (one dimensional, 1D structures) to printing lattices/films (two dimensional, 2D structures) and printing 3D structures with a special attention to the accurate printing. After a series of experiments, we discovered the relationships between the important factors such as air pressure, feedrate, or even printing distance and the printing quality of the expected structures. Dumbbell shape was observed in the lattice structures printing due to the hydrogel diffuses at the intersection. Collapses and fusion of adjacent layer would result in the error accumulation at Z direction which was an important fact that could cause printing failure. Finally, we successfully demonstrated a 3D printing hydrogel scaffold through harmonize with all the parameters. The cell viability after printing was compared with the casting and the results showed that our bioprinting method almost had no extra damage to the cells.

Structure Size Enhanced Histogram

NASA Astrophysics Data System (ADS)

Wesarg, Stefan; Kirschner, Matthias

Direct volume visualization requires the definition of transfer functions (TFs) for the assignment of opacity and color. Multi-dimensional TFs are based on at least two image properties, and are specified by means of 2D histograms. In this work we propose a new type of a 2D histogram which combines gray value with information about the size of the structures. This structure size enhanced (SSE) histogram is an intuitive approach for representing anatomical features. Clinicians — the users we are focusing on — are much more familiar with selecting features by their size than by their gradient magnitude value. As a proof of concept, we employ the SSE histogram for the definition of two-dimensional TFs for the visualization of 3D MRI and CT image data.

Properties and applications of quantum dot heterostructures grown by molecular beam epitaxy

PubMed Central

2006-01-01

One of the main directions of contemporary semiconductor physics is the production and study of structures with a dimension less than two: quantum wires and quantum dots, in order to realize novel devices that make use of low-dimensional confinement effects. One of the promising fabrication methods is to use self-organized three-dimensional (3D) structures, such as 3D coherent islands, which are often formed during the initial stage of heteroepitaxial growth in lattice-mismatched systems. This article is intended to convey the flavour of the subject by focussing on the structural, optical and electronic properties and device applications of self-assembled quantum dots and to give an elementary introduction to some of the essential characteristics.

Direct and inverse problems of studying the properties of multilayer nanostructures based on a two-dimensional model of X-ray reflection and scattering

NASA Astrophysics Data System (ADS)

Khachaturov, R. V.

2014-06-01

A mathematical model of X-ray reflection and scattering by multilayered nanostructures in the quasi-optical approximation is proposed. X-ray propagation and the electric field distribution inside the multilayered structure are considered with allowance for refraction, which is taken into account via the second derivative with respect to the depth of the structure. This model is used to demonstrate the possibility of solving inverse problems in order to determine the characteristics of irregularities not only over the depth (as in the one-dimensional problem) but also over the length of the structure. An approximate combinatorial method for system decomposition and composition is proposed for solving the inverse problems.

Ballistic magnetotransport in a suspended two-dimensional electron gas with periodic antidot lattices

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

Zhdanov, E. Yu., E-mail: zhdanov@isp.nsc.ru; Pogosov, A. G.; Budantsev, M. V.

2017-01-15

The magnetoresistance of suspended semiconductor nanostructures with a two-dimensional electron gas structured by periodic square antidot lattices is studied. It is shown that the ballistic regime of electron transport is retained after detaching the sample from the substrate. Direct comparative analysis of commensurability oscillations of magnetoresistance and their temperature dependences in samples before and after suspension is performed. It is found that the temperature dependences are almost identical for non-suspended and suspended samples, whereas significant differences are observed in the nonlinear regime, caused by direct current passage. Commensurability oscillations in the suspended samples are more stable with respect to exposuremore » to direct current, which can be presumably explained by electron–electron interaction enhancement after detaching nanostructures from the high-permittivity substrate.« less

Reducing democratic type II supergravity on SU(3) × SU(3) structures

NASA Astrophysics Data System (ADS)

Cassani, Davide

2008-06-01

Type II supergravity on backgrounds admitting SU(3) × SU(3) structure and general fluxes is considered. Using the generalized geometry formalism, we study dimensional reductions leading to N = 2 gauged supergravity in four dimensions, possibly with tensor multiplets. In particular, a geometric formula for the full N = 2 scalar potential is given. Then we implement a truncation ansatz, and derive the complete N = 2 bosonic action. While the NSNS contribution is obtained via a direct dimensional reduction, the contribution of the RR sector is computed starting from the democratic formulation and demanding consistency with the reduced equations of motion.

Multigrid for Staggered Lattice Fermions

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

Brower, Richard C.; Clark, M. A.; Strelchenko, Alexei

Critical slowing down in Krylov methods for the Dirac operator presents a major obstacle to further advances in lattice field theory as it approaches the continuum solution. Here we formulate a multi-grid algorithm for the Kogut-Susskind (or staggered) fermion discretization which has proven difficult relative to Wilson multigrid due to its first-order anti-Hermitian structure. The solution is to introduce a novel spectral transformation by the K\\"ahler-Dirac spin structure prior to the Galerkin projection. We present numerical results for the two-dimensional, two-flavor Schwinger model, however, the general formalism is agnostic to dimension and is directly applicable to four-dimensional lattice QCD.

AFM Structural Characterization of Drinking Water Biofilm ...

EPA Pesticide Factsheets

Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N/m) and slow scan rate (0.5 Hz), biofilm and individual bacterial cell’s structural topography were resolved and continuously imaged in liquid without loss of spatial resolution or sample damage. The developed methodology will allow future in situ investigations to temporally monitor mixed culture drinking water biofilm structural changes during disinfection treatments. Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N/m) and slow scan rate (0.5 Hz), biofilm and individual bacterial cell’s structural topography were resolved and continuously imaged in liquid without loss of spatial resolution or sample damage. The developed methodo

Multiple film plane diagnostic for shocked lattice measurements (invited)

NASA Astrophysics Data System (ADS)

Kalantar, Daniel H.; Bringa, E.; Caturla, M.; Colvin, J.; Lorenz, K. T.; Kumar, M.; Stölken, J.; Allen, A. M.; Rosolankova, K.; Wark, J. S.; Meyers, M. A.; Schneider, M.; Boehly, T. R.

2003-03-01

Laser-based shock experiments have been conducted in thin Si and Cu crystals at pressures above the Hugoniot elastic limit. In these experiments, static film and x-ray streak cameras recorded x rays diffracted from lattice planes both parallel and perpendicular to the shock direction. These data showed uniaxial compression of Si(100) along the shock direction and three-dimensional compression of Cu(100). In the case of the Si diffraction, there was a multiple wave structure observed, which may be due to a one-dimensional phase transition or a time variation in the shock pressure. A new film-based detector has been developed for these in situ dynamic diffraction experiments. This large-angle detector consists of three film cassettes that are positioned to record x rays diffracted from a shocked crystal anywhere within a full π steradian. It records x rays that are diffracted from multiple lattice planes both parallel and at oblique angles with respect to the shock direction. It is a time-integrating measurement, but time-resolved data may be recorded using a short duration laser pulse to create the diffraction source x rays. This new instrument has been fielded at the OMEGA and Janus lasers to study single-crystal materials shock compressed by direct laser irradiation. In these experiments, a multiple wave structure was observed on many different lattice planes in Si. These data provide information on the structure under compression.

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

Quasicrystalline structures and uses thereof

DOEpatents

Steinhardt, Paul Joseph; Chaikin, Paul Michael; Man, Weining

2013-08-13

This invention relates generally to devices constructed from quasicrystalline heterostructures. In preferred embodiments, two or more dielectric materials are arranged in a two- or three-dimensional space in a lattice pattern having at least a five-fold symmetry axis and not a six-fold symmetry axis, such that the quasicrystalline heterostructure exhibits an energy band structure in the space, the band structure having corresponding symmetry, which symmetry is forbidden in crystals, and which band structure comprises a complete band gap. The constructed devices are adapted for manipulating, controlling, modulating, trapping, reflecting and otherwise directing waves including electromagnetic, sound, spin, and surface waves, for a pre-selected range of wavelengths propagating within or through the heterostructure in multiple directions.

One-Dimensional Photonic Crystal Superprisms

NASA Technical Reports Server (NTRS)

Ting, David

2005-01-01

Theoretical calculations indicate that it should be possible for one-dimensional (1D) photonic crystals (see figure) to exhibit giant dispersions known as the superprism effect. Previously, three-dimensional (3D) photonic crystal superprisms have demonstrated strong wavelength dispersion - about 500 times that of conventional prisms and diffraction gratings. Unlike diffraction gratings, superprisms do not exhibit zero-order transmission or higher-order diffraction, thereby eliminating cross-talk problems. However, the fabrication of these 3D photonic crystals requires complex electron-beam substrate patterning and multilayer thin-film sputtering processes. The proposed 1D superprism is much simpler in structural complexity and, therefore, easier to design and fabricate. Like their 3D counterparts, the 1D superprisms can exhibit giant dispersions over small spectral bands that can be tailored by judicious structure design and tuned by varying incident beam direction. Potential applications include miniature gas-sensing devices.

Viewing Angle Classification of Cryo-Electron Microscopy Images Using Eigenvectors

PubMed Central

Singer, A.; Zhao, Z.; Shkolnisky, Y.; Hadani, R.

2012-01-01

The cryo-electron microscopy (cryo-EM) reconstruction problem is to find the three-dimensional structure of a macromolecule given noisy versions of its two-dimensional projection images at unknown random directions. We introduce a new algorithm for identifying noisy cryo-EM images of nearby viewing angles. This identification is an important first step in three-dimensional structure determination of macromolecules from cryo-EM, because once identified, these images can be rotationally aligned and averaged to produce “class averages” of better quality. The main advantage of our algorithm is its extreme robustness to noise. The algorithm is also very efficient in terms of running time and memory requirements, because it is based on the computation of the top few eigenvectors of a specially designed sparse Hermitian matrix. These advantages are demonstrated in numerous numerical experiments. PMID:22506089

Poly[4,4'-(propane-1,3-diyl)dipyridinium bis{tetraaquabis(μ2-5-carboxybenzene-1,2,4-tricarboxylato)bis[μ2-1,3-bis(4-pyridyl)propane]dicobalt(II)} pentahydrate].

PubMed

Atria, Ana María; Corsini, Gino; Garland, Maria Teresa; Baggio, Ricardo

2011-11-01

The title polymeric compound, {(C(13)H(16)N(2))[Co(C(10)H(3)O(8))(C(13)H(14)N(2))(H(2)O)(2)](2)·5H(2)O}(n), is an ionic structure comprising an anionic two-dimensional mesh characterized by a {[Co(Hbtc)(bpp)(H(2)O)(2)](-)}(2) motif [Hbtc is 5-carboxybenzene-1,2,4-tricarboxylate and bpp is 1,3-bis(4-pyridyl)propane], with interspersed 4,4'-(propane-1,3-diyl)dipyridinium cations, denoted (H(2)bpp)(2+), and water molecules providing the charge balance and structure stabilization. The reticular mesh consists of two independent types of [Co(H(2)O)(2)](2+) cationic nodes (lying on inversion centres), interconnected in the [101] direction by two independent sets of neutral bridging bpp ligands, both types of ligands being split by non-equivalent twofold axes. One set is formed by genuinely symmetric moieties, while those in the second set are only symmetric by disorder in the central propane bridge. These chains contain only one type of Co(II) centre and one type of bpp ligand; the metal cations therein are laterally bridged by Hbtc anions, thus forming transverse chains of alternating types of Co(II) cations. The elemental motif of the resulting grid is a highly distorted parallelogram, with metal-metal distances of 13.5242 (14) Å in the bpp direction and 9.105 (2) Å in the Hbtc direction, and a large internal angle of 138.42 (18)°. These two-dimensional structures have a profusion of hydrogen-bonding interactions with each other, either directly (with the aqua molecules as donors and the Hbtc anions as acceptors) or mediated by the unbound (H(2)bpp)(2+) cations and water molecules of hydration. These interactions generate a very complex hydrogen-bonding scheme involving all of the available N-H and O-H groups and which links these two-dimensional grids into a three-dimensional network.

Suitability of a three-dimensional model to measure empathy and its relationship with social and normative adjustment in Spanish adolescents: a cross-sectional study.

PubMed

Herrera-López, Mauricio; Gómez-Ortiz, Olga; Ortega-Ruiz, Rosario; Jolliffe, Darrick; Romera, Eva M

2017-09-25

(1) To examine the psychometric properties of the Basic Empathy Scale (BES) with Spanish adolescents, comparing a two and a three-dimensional structure;(2) To analyse the relationship between the three-dimensional empathy and social and normative adjustment in school. Transversal and ex post facto retrospective study. Confirmatory factorial analysis, multifactorial invariance analysis and structural equations models were used. 747 students (51.3% girls) from Cordoba, Spain, aged 12-17 years (M=13.8; SD=1.21). The original two-dimensional structure was confirmed (cognitive empathy, affective empathy), but a three-dimensional structure showed better psychometric properties, highlighting the good fit found in confirmatory factorial analysis and adequate internal consistent valued, measured with Cronbach's alpha and McDonald's omega. Composite reliability and average variance extracted showed better indices for a three-factor model. The research also showed evidence of measurement invariance across gender. All the factors of the final three-dimensional BES model were direct and significantly associated with social and normative adjustment, being most strongly related to cognitive empathy. This research supports the advances in neuroscience, developmental psychology and psychopathology through a three-dimensional version of the BES, which represents an improvement in the original two-factorial model. The organisation of empathy in three factors benefits the understanding of social and normative adjustment in adolescents, in which emotional disengagement favours adjusted peer relationships. Psychoeducational interventions aimed at improving the quality of social life in schools should target these components of empathy. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

System and method for representing and manipulating three-dimensional objects on massively parallel architectures

DOEpatents

Karasick, M.S.; Strip, D.R.

1996-01-30

A parallel computing system is described that comprises a plurality of uniquely labeled, parallel processors, each processor capable of modeling a three-dimensional object that includes a plurality of vertices, faces and edges. The system comprises a front-end processor for issuing a modeling command to the parallel processors, relating to a three-dimensional object. Each parallel processor, in response to the command and through the use of its own unique label, creates a directed-edge (d-edge) data structure that uniquely relates an edge of the three-dimensional object to one face of the object. Each d-edge data structure at least includes vertex descriptions of the edge and a description of the one face. As a result, each processor, in response to the modeling command, operates upon a small component of the model and generates results, in parallel with all other processors, without the need for processor-to-processor intercommunication. 8 figs.

Quasi-crystalline and disordered photonic structures fabricated using direct laser writing

NASA Astrophysics Data System (ADS)

Sinelnik, Artem D.; Pinegin, Konstantin V.; Bulashevich, Grigorii A.; Rybin, Mikhail V.; Limonov, Mikhail F.; Samusev, Kirill B.

2017-09-01

Direct laser writing is a rapid prototyping technology that has been utilized for the fabrication of micro- and nano-scale materials that have a perfect structure in most of the cases. In this study we exploit the direct laser writing to create several classes of non-periodic materials, such as quasi-crystalline lattices and three-dimensional (3D) objects with an orientation disorder in structural elements. Among quasi-crystalline lattices we consider Penrose tiling and Lévy-type photonic glasses. Images of the fabricated structures are obtained with a scanning electron microscope. In experiment we study the optical diffraction from 3D woodpile photonic structures with orientation disorder and analyze diffraction patters observed on a flat screen positioned behind the sample. With increasing of the disorder degree, we find an impressive transformation of the diffraction patterns from perfect Laue picture to a speckle pattern.

New Three-Dimensional Porous Electrode Concept: Vertically-Aligned Carbon Nanotubes Directly Grown on Embroidered Copper Structures.

PubMed

Aguiló-Aguayo, Noemí; Amade, Roger; Hussain, Shahzad; Bertran, Enric; Bechtold, Thomas

2017-12-11

New three-dimensional (3D) porous electrode concepts are required to overcome limitations in Li-ion batteries in terms of morphology (e.g., shapes, dimensions), mechanical stability (e.g., flexibility, high electroactive mass loadings), and electrochemical performance (e.g., low volumetric energy densities and rate capabilities). Here a new electrode concept is introduced based on the direct growth of vertically-aligned carbon nanotubes (VA-CNTs) on embroidered Cu current collectors. The direct growth of VA-CNTs was achieved by plasma-enhanced chemical vapor deposition (PECVD), and there was no application of any post-treatment or cleaning procedure. The electrochemical behavior of the as-grown VA-CNTs was analyzed by charge/discharge cycles at different specific currents and with electrochemical impedance spectroscopy (EIS) measurements. The results were compared with values found in the literature. The as-grown VA-CNTs exhibit higher specific capacities than graphite and pristine VA-CNTs found in the literature. This together with the possibilities that the Cu embroidered structures offer in terms of specific surface area, total surface area, and designs provide a breakthrough in new 3D electrode concepts.

DNA-nanoparticle superlattices formed from anisotropic building blocks

NASA Astrophysics Data System (ADS)

Jones, Matthew R.; Macfarlane, Robert J.; Lee, Byeongdu; Zhang, Jian; Young, Kaylie L.; Senesi, Andrew J.; Mirkin, Chad A.

2010-11-01

Directional bonding interactions in solid-state atomic lattices dictate the unique symmetries of atomic crystals, resulting in a diverse and complex assortment of three-dimensional structures that exhibit a wide variety of material properties. Methods to create analogous nanoparticle superlattices are beginning to be realized, but the concept of anisotropy is still largely underdeveloped in most particle assembly schemes. Some examples provide interesting methods to take advantage of anisotropic effects, but most are able to make only small clusters or lattices that are limited in crystallinity and especially in lattice parameter programmability. Anisotropic nanoparticles can be used to impart directional bonding interactions on the nanoscale, both through face-selective functionalization of the particle with recognition elements to introduce the concept of valency, and through anisotropic interactions resulting from particle shape. In this work, we examine the concept of inherent shape-directed crystallization in the context of DNA-mediated nanoparticle assembly. Importantly, we show how the anisotropy of these particles can be used to synthesize one-, two- and three-dimensional structures that cannot be made through the assembly of spherical particles.

Suspended liquid subtractive lithography: printing three dimensional channels directly into uncured PDMS

NASA Astrophysics Data System (ADS)

Helmer, D.; Voigt, A.; Wagner, S.; Keller, N.; Sachsenheimer, K.; Kotz, F.; Nargang, T. M.; Rapp, B. E.

2018-02-01

Polydimethylsiloxane (PDMS) is one of the most widely used polymers for the generation of microfluidic chips. The standard procedures of soft lithography require the formation of a new master structure for every design which is timeconsuming and expensive. All channel generated by soft lithography need to be consecutively sealed by bonding which is a process that can proof to be hard to control. Channel cross-sections are largely restricted to squares or flat-topped designs and the generation of truly three-dimensional designs is not straightforward. Here we present Suspended Liquid Subtractive Lithography (SLSL) a method for generating microfluidic channels of nearly arbitrary three-dimensional structures in PDMS that do not require master formation or bonding and give circular channel cross sections which are especially interesting for mimicking in vivo environments. In SLSL, an immiscible liquid is introduced into the uncured PDMS by a capillary mounted on a 3D printer head. The liquid forms continuous "threads" inside the matrix thus creating void suspended channel structures.

Self-organization of a self-assembled supramolecular rectangle, square, and three-dimensional cage on Au111 surfaces.

PubMed

Yuan, Qun-Hui; Wan, Li-Jun; Jude, Hershel; Stang, Peter J

2005-11-23

The structure and conformation of three self-assembled supramolecular species, a rectangle, a square, and a three-dimensional cage, on Au111 surfaces were investigated by scanning tunneling microscopy. These supramolecular assemblies adsorb on Au111 surfaces and self-organize to form highly ordered adlayers with distinct conformations that are consistent with their chemical structures. The faces of the supramolecular rectangle and square lie flat on the surface, preserving their rectangle and square conformations, respectively. The three-dimensional cage also forms well-ordered adlayers on the gold surface, forming regular molecular rows of assemblies. When the rectangle and cage were mixed together, the assemblies separated into individual domains, and no mixed adlayers were observed. These results provide direct evidence of the noncrystalline solid-state structures of these assemblies and information about how they self-organize on Au111 surfaces, which is of importance in the potential manufacturing of functional nanostructures and devices.

Statistical study of conductance properties in one-dimensional quantum wires focusing on the 0.7 anomaly

NASA Astrophysics Data System (ADS)

Smith, L. W.; Al-Taie, H.; Sfigakis, F.; See, P.; Lesage, A. A. J.; Xu, B.; Griffiths, J. P.; Beere, H. E.; Jones, G. A. C.; Ritchie, D. A.; Kelly, M. J.; Smith, C. G.

2014-07-01

The properties of conductance in one-dimensional (1D) quantum wires are statistically investigated using an array of 256 lithographically identical split gates, fabricated on a GaAs/AlGaAs heterostructure. All the split gates are measured during a single cooldown under the same conditions. Electron many-body effects give rise to an anomalous feature in the conductance of a one-dimensional quantum wire, known as the "0.7 structure" (or "0.7 anomaly"). To handle the large data set, a method of automatically estimating the conductance value of the 0.7 structure is developed. Large differences are observed in the strength and value of the 0.7 structure [from 0.63 to 0.84×(2e2/h)], despite the constant temperature and identical device design. Variations in the 1D potential profile are quantified by estimating the curvature of the barrier in the direction of electron transport, following a saddle-point model. The 0.7 structure appears to be highly sensitive to the specific confining potential within individual devices.

Three-dimensional structural dynamics and fluctuations of DNA-nanogold conjugates by individual-particle electron tomography

DOE PAGES

Zhang, Lei; Lei, Dongsheng; Smith, Jessica M.; ...

2016-03-30

DNA base pairing has been used for many years to direct the arrangement of inorganic nanocrystals into small groupings and arrays with tailored optical and electrical properties. The control of DNA-mediated assembly depends crucially on a better understanding of three-dimensional structure of DNA-nanocrystal-hybridized building blocks. Existing techniques do not allow for structural determination of these flexible and heterogeneous samples. Here we report cryo-electron microscopy and negative-staining electron tomography approaches to image, and three-dimensionally reconstruct a single DNA-nanogold conjugate, an 84-bp double-stranded DNA with two 5-nm nanogold particles for potential substrates in plasmon-coupling experiments. By individual-particle electron tomography reconstruction, we obtainmore » 14 density maps at ~ 2-nm resolution . Using these maps as constraints, we derive 14 conformations of dsDNA by molecular dynamics simulations. The conformational variation is consistent with that from liquid solution, suggesting that individual-particle electron tomography could be an expected approach to study DNA-assembling and flexible protein structure and dynamics.« less

Quantum walks of correlated photon pairs in two-dimensional waveguide arrays.

PubMed

Poulios, Konstantinos; Keil, Robert; Fry, Daniel; Meinecke, Jasmin D A; Matthews, Jonathan C F; Politi, Alberto; Lobino, Mirko; Gräfe, Markus; Heinrich, Matthias; Nolte, Stefan; Szameit, Alexander; O'Brien, Jeremy L

2014-04-11

We demonstrate quantum walks of correlated photons in a two-dimensional network of directly laser written waveguides coupled in a "swiss cross" arrangement. The correlated detection events show high-visibility quantum interference and unique composite behavior: strong correlation and independence of the quantum walkers, between and within the planes of the cross. Violations of a classically defined inequality, for photons injected in the same plane and in orthogonal planes, reveal nonclassical behavior in a nonplanar structure.

Volume rendering based on magnetic resonance imaging: advances in understanding the three-dimensional anatomy of the human knee

PubMed Central

Anastasi, Giuseppe; Bramanti, Placido; Di Bella, Paolo; Favaloro, Angelo; Trimarchi, Fabio; Magaudda, Ludovico; Gaeta, Michele; Scribano, Emanuele; Bruschetta, Daniele; Milardi, Demetrio

2007-01-01

The choice of medical imaging techniques, for the purpose of the present work aimed at studying the anatomy of the knee, derives from the increasing use of images in diagnostics, research and teaching, and the subsequent importance that these methods are gaining within the scientific community. Medical systems using virtual reality techniques also offer a good alternative to traditional methods, and are considered among the most important tools in the areas of research and teaching. In our work we have shown some possible uses of three-dimensional imaging for the study of the morphology of the normal human knee, and its clinical applications. We used the direct volume rendering technique, and created a data set of images and animations to allow us to visualize the single structures of the human knee in three dimensions. Direct volume rendering makes use of specific algorithms to transform conventional two-dimensional magnetic resonance imaging sets of slices into see-through volume data set images. It is a technique which does not require the construction of intermediate geometric representations, and has the advantage of allowing the visualization of a single image of the full data set, using semi-transparent mapping. Digital images of human structures, and in particular of the knee, offer important information about anatomical structures and their relationships, and are of great value in the planning of surgical procedures. On this basis we studied seven volunteers with an average age of 25 years, who underwent magnetic resonance imaging. After elaboration of the data through post-processing, we analysed the structure of the knee in detail. The aim of our investigation was the three-dimensional image, in order to comprehend better the interactions between anatomical structures. We believe that these results, applied to living subjects, widen the frontiers in the areas of teaching, diagnostics, therapy and scientific research. PMID:17645453

Surface shape affects the three-dimensional exploratory movements of nocturnal arboreal snakes.

PubMed

Jayne, Bruce C; Olberding, Jeffrey P; Athreya, Dilip; Riley, Michael A

2012-12-01

Movement and searching behaviors at diverse spatial scales are important for understanding how animals interact with their environment. Although the shapes of branches and the voids in arboreal habitats seem likely to affect searching behaviors, their influence is poorly understood. To gain insights into how both environmental structure and the attributes of an animal may affect movement and searching, we compared the three-dimensional exploratory movements of snakes in the dark on two simulated arboreal surfaces (disc and horizontal cylinder). Most of the exploratory movements of snakes in the dark were a small fraction of the distances they could reach while bridging gaps in the light. The snakes extended farther away from the edge of the supporting surface at the ends of the cylinder than from the sides of the cylinder or from any direction from the surface of the disc. The exploratory movements were not random, and the surface shape and three-dimensional directions had significant interactive effects on how the movements were structured in time. Thus, the physical capacity for reaching did not limit the area that was explored, but the shape of the supporting surface and the orientation relative to gravity did create biased searching patterns.

Dimensions of personality structure among patients with substance use disorders and co-occurring personality disorders: a comparison with psychiatric outpatients and healthy controls.

PubMed

Di Pierro, Rossella; Preti, Emanuele; Vurro, Nicoletta; Madeddu, Fabio

2014-08-01

Although dual diagnosis has been a topic of great scientific interest for a long time, few studies have investigated the personality traits that characterize patients suffering from substance use disorders and co-occurring personality disorders through a dimensional approach. The present study aimed to evaluate structural personality profiles among dual-diagnosis inpatients to identify specific personality impairments associated with dual diagnosis. The present study involved 97 participants divided into three groups: 37 dual-diagnosis inpatients, 30 psychiatric outpatients and 30 nonclinical controls. Dimensions of personality functioning were assessed and differences between groups were tested using Kernberg's dimensional model of personality. Results showed that dual diagnosis was associated with the presence of difficulties in three main dimensions of personality functioning. Dual-diagnosis inpatients reported a poorly integrated identity with difficulties in the capacity to invest, poorly integrated moral values, and high levels of self-direct and other-direct aggression. The present study highlighted that a dimensional approach to the study of dual diagnosis may clarify the personality functioning of patients suffering from this pathological condition. The use of the dimensional approach could help to advance research on dual diagnosis, and it could have important implications on clinical treatment programs for dual-diagnosis inpatients. Copyright © 2014 Elsevier Inc. All rights reserved.

A new (2+1) dimensional integrable evolution equation for an ion acoustic wave in a magnetized plasma

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

Mukherjee, Abhik, E-mail: abhik.mukherjee@saha.ac.in; Janaki, M. S., E-mail: ms.janaki@saha.ac.in; Kundu, Anjan, E-mail: anjan.kundu@saha.ac.in

2015-07-15

A new, completely integrable, two dimensional evolution equation is derived for an ion acoustic wave propagating in a magnetized, collisionless plasma. The equation is a multidimensional generalization of a modulated wavepacket with weak transverse propagation, which has resemblance to nonlinear Schrödinger (NLS) equation and has a connection to Kadomtsev-Petviashvili equation through a constraint relation. Higher soliton solutions of the equation are derived through Hirota bilinearization procedure, and an exact lump solution is calculated exhibiting 2D structure. Some mathematical properties demonstrating the completely integrable nature of this equation are described. Modulational instability using nonlinear frequency correction is derived, and the correspondingmore » growth rate is calculated, which shows the directional asymmetry of the system. The discovery of this novel (2+1) dimensional integrable NLS type equation for a magnetized plasma should pave a new direction of research in the field.« less

All-optical routing and switching for three-dimensional photonic circuitry

PubMed Central

Keil, Robert; Heinrich, Matthias; Dreisow, Felix; Pertsch, Thomas; Tünnermann, Andreas; Nolte, Stefan; Christodoulides, Demetrios N.; Szameit, Alexander

2011-01-01

The ability to efficiently transmit and rapidly process huge amounts of data has become almost indispensable to our daily lives. It turned out that all-optical networks provide a very promising platform to deal with this task. Within such networks opto-optical switches, where light is directed by light, are a crucial building block for an effective operation. In this article, we present an experimental analysis of the routing and switching behaviour of light in two-dimensional evanescently coupled waveguide arrays of Y- and T-junction geometries directly inscribed into fused silica using ultrashort laser pulses. These systems have the fundamental advantage of supporting three-dimensional network topologies, thereby breaking the limitations on complexity associated with planar structures while maintaining a high dirigibility of the light. Our results show how such arrays can be used to control the flow of optical signals within integrated photonic circuits. PMID:22355612

Two-dimensional wetting: the role of atomic steps on the nucleation of thin water films on BaF2(111) at ambient conditions.

PubMed

Cardellach, M; Verdaguer, A; Santiso, J; Fraxedas, J

2010-06-21

The interaction of water with freshly cleaved BaF(2)(111) surfaces at ambient conditions (room temperature and under controlled humidity) has been studied using scanning force microscopy in different operation modes. The images strongly suggest a high surface diffusion of water molecules on the surface indicated by the accumulation of water at step edges forming two-dimensional bilayered structures. Steps running along the 110 crystallographic directions show a high degree of hydrophilicity, as evidenced by small step-film contact angles, while steps running along other directions exhibiting a higher degree of kinks surprisingly behave in a quite opposite way. Our results prove that morphological defects such as steps can be crucial in improving two-dimensional monolayer wetting and stabilization of multilayer grown on surfaces that show good lattice mismatch with hexagonal ice.

3D annotation and manipulation of medical anatomical structures

NASA Astrophysics Data System (ADS)

Vitanovski, Dime; Schaller, Christian; Hahn, Dieter; Daum, Volker; Hornegger, Joachim

2009-02-01

Although the medical scanners are rapidly moving towards a three-dimensional paradigm, the manipulation and annotation/labeling of the acquired data is still performed in a standard 2D environment. Editing and annotation of three-dimensional medical structures is currently a complex task and rather time-consuming, as it is carried out in 2D projections of the original object. A major problem in 2D annotation is the depth ambiguity, which requires 3D landmarks to be identified and localized in at least two of the cutting planes. Operating directly in a three-dimensional space enables the implicit consideration of the full 3D local context, which significantly increases accuracy and speed. A three-dimensional environment is as well more natural optimizing the user's comfort and acceptance. The 3D annotation environment requires the three-dimensional manipulation device and display. By means of two novel and advanced technologies, Wii Nintendo Controller and Philips 3D WoWvx display, we define an appropriate 3D annotation tool and a suitable 3D visualization monitor. We define non-coplanar setting of four Infrared LEDs with a known and exact position, which are tracked by the Wii and from which we compute the pose of the device by applying a standard pose estimation algorithm. The novel 3D renderer developed by Philips uses either the Z-value of a 3D volume, or it computes the depth information out of a 2D image, to provide a real 3D experience without having some special glasses. Within this paper we present a new framework for manipulation and annotation of medical landmarks directly in three-dimensional volume.

Updates to Multi-Dimensional Flux Reconstruction for Hypersonic Simulations on Tetrahedral Grids

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2010-01-01

The quality of simulated hypersonic stagnation region heating with tetrahedral meshes is investigated by using an updated three-dimensional, upwind reconstruction algorithm for the inviscid flux vector. An earlier implementation of this algorithm provided improved symmetry characteristics on tetrahedral grids compared to conventional reconstruction methods. The original formulation however displayed quantitative differences in heating and shear that were as large as 25% compared to a benchmark, structured-grid solution. The primary cause of this discrepancy is found to be an inherent inconsistency in the formulation of the flux limiter. The inconsistency is removed by employing a Green-Gauss formulation of primitive gradients at nodes to replace the previous Gram-Schmidt algorithm. Current results are now in good agreement with benchmark solutions for two challenge problems: (1) hypersonic flow over a three-dimensional cylindrical section with special attention to the uniformity of the solution in the spanwise direction and (2) hypersonic flow over a three-dimensional sphere. The tetrahedral cells used in the simulation are derived from a structured grid where cell faces are bisected across the diagonal resulting in a consistent pattern of diagonals running in a biased direction across the otherwise symmetric domain. This grid is known to accentuate problems in both shock capturing and stagnation region heating encountered with conventional, quasi-one-dimensional inviscid flux reconstruction algorithms. Therefore the test problems provide a sensitive indicator for algorithmic effects on heating. Additional simulations on a sharp, double cone and the shuttle orbiter are then presented to demonstrate the capabilities of the new algorithm on more geometrically complex flows with tetrahedral grids. These results provide the first indication that pure tetrahedral elements utilizing the updated, three-dimensional, upwind reconstruction algorithm may be used for the simulation of heating and shear in hypersonic flows in upwind, finite volume formulations.

Robust hypothesis tests for detecting statistical evidence of two-dimensional and three-dimensional interactions in single-molecule measurements

NASA Astrophysics Data System (ADS)

Calderon, Christopher P.; Weiss, Lucien E.; Moerner, W. E.

2014-05-01

Experimental advances have improved the two- (2D) and three-dimensional (3D) spatial resolution that can be extracted from in vivo single-molecule measurements. This enables researchers to quantitatively infer the magnitude and directionality of forces experienced by biomolecules in their native environment. Situations where such force information is relevant range from mitosis to directed transport of protein cargo along cytoskeletal structures. Models commonly applied to quantify single-molecule dynamics assume that effective forces and velocity in the x ,y (or x ,y,z) directions are statistically independent, but this assumption is physically unrealistic in many situations. We present a hypothesis testing approach capable of determining if there is evidence of statistical dependence between positional coordinates in experimentally measured trajectories; if the hypothesis of independence between spatial coordinates is rejected, then a new model accounting for 2D (3D) interactions can and should be considered. Our hypothesis testing technique is robust, meaning it can detect interactions, even if the noise statistics are not well captured by the model. The approach is demonstrated on control simulations and on experimental data (directed transport of intraflagellar transport protein 88 homolog in the primary cilium).

Alignment hierarchies: engineering architecture from the nanometre to the micrometre scale.

PubMed

Kureshi, Alvena; Cheema, Umber; Alekseeva, Tijna; Cambrey, Alison; Brown, Robert

2010-12-06

Natural tissues are built of metabolites, soluble proteins and solid extracellular matrix components (largely fibrils) together with cells. These are configured in highly organized hierarchies of structure across length scales from nanometre to millimetre, with alignments that are dominated by anisotropies in their fibrillar matrix. If we are to successfully engineer tissues, these hierarchies need to be mimicked with an understanding of the interaction between them. In particular, the movement of different elements of the tissue (e.g. molecules, cells and bulk fluids) is controlled by matrix structures at distinct scales. We present three novel systems to introduce alignment of collagen fibrils, cells and growth factor gradients within a three-dimensional collagen scaffold using fluid flow, embossing and layering of construct. Importantly, these can be seen as different parts of the same hierarchy of three-dimensional structure, as they are all formed into dense collagen gels. Fluid flow aligns collagen fibrils at the nanoscale, embossed topographical features provide alignment cues at the microscale and introducing layered configuration to three-dimensional collagen scaffolds provides microscale- and mesoscale-aligned pathways for protein factor delivery as well as barriers to confine protein diffusion to specific spatial directions. These seemingly separate methods can be employed to increase complexity of simple extracellular matrix scaffolds, providing insight into new approaches to directly fabricate complex physical and chemical cues at different hierarchical scales, similar to those in natural tissues.

Joint two-dimensional inversion of magnetotelluric and gravity data using correspondence maps

NASA Astrophysics Data System (ADS)

Carrillo, Jonathan; Gallardo, Luis A.

2018-05-01

An accurate characterization of subsurface targets relies on the interpretation of multiple geophysical properties and their relationships. There are mainly two links to jointly invert different geophysical parameters: structural and petrophysical relationships. Structural approaches aim at minimizing topological differences and are widely popular since they need only a few assumptions about models. Conversely, methods based on petrophysical links rely mostly on the property values themselves and can provide a strong coupling between models, but they need to be treated carefully because specific direct relationship must be known or assumed. While some petrophysical relationships are widely accepted, it remains the question whether we may be able to detect them directly from the geophysical data. Currently, there is no reported development that takes full advantage of the flexibility of jointly estimating in-situ empirical relationships and geophysical models for a given geological scenario. We thus developed an algorithm for the two dimensional joint inversion of gravity and magnetotelluric data that seeks simultaneously for a density-resistivity relationship optimal for each studied site described trough a polynomial function. The iterative two-dimensional scheme is tested using synthetic and field data from Cerro Prieto, Mexico. The resulting models show an enhanced resolution with an increased structural and petrophysical correlation. We show that by fitting a functional relationship we increased significantly the coupled geological sense of the models at a little cost in terms of data misfit.

[An interactive three-dimensional model of the human body].

PubMed

Liem, S L

2009-01-01

Driven by advanced computer technology, it is now possible to show the human anatomy on a computer. On the internet, the Visible Body programme makes it possible to navigate in all directions through the anatomical structures of the human body, using mouse and keyboard. Visible Body is a wonderful tool to give insight in the human structures, body functions and organs.

Angle-Ply Weaving

NASA Technical Reports Server (NTRS)

Farley, Gary L.

1990-01-01

Bias-direction or angle-ply weaving is proposed new process for weaving fibers along bias in conventional planar fabric or in complicated three-dimensional multilayer fabric preform of fiber-reinforced composite structure. Based upon movement of racks of needles and corresponding angle yarns across fabric as fabric being formed. Fibers woven along bias increases shear stiffness and shear strength of preform, increasing value of preform as structural member.

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry.

PubMed

Reiser, Karen; Stoller, Patrick; Knoesen, André

2017-06-01

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated from the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry

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

Reiser, Karen; Stoller, Patrick; Knoesen, André

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated frommore » the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.« less

Three-Dimensional Geometry of Collagenous Tissues by Second Harmonic Polarimetry

DOE PAGES

Reiser, Karen; Stoller, Patrick; Knoesen, André

2017-06-01

Collagen is a biological macromolecule capable of second harmonic generation, allowing label-free detection in tissues; in addition, molecular orientation can be determined from the polarization dependence of the second harmonic signal. Previously we reported that in-plane orientation of collagen fibrils could be determined by modulating the polarization angle of the laser during scanning. We have now extended this method so that out-of-plane orientation angles can be determined at the same time, allowing visualization of the 3-dimensional structure of collagenous tissues. This approach offers advantages compared with other methods for determining out-of-plane orientation. First, the orientation angles are directly calculated frommore » the polarimetry data obtained in a single scan, while other reported methods require data from multiple scans, use of iterative optimization methods, application of fitting algorithms, or extensive post-optical processing. Second, our method does not require highly specialized instrumentation, and thus can be adapted for use in almost any nonlinear optical microscopy setup. It is suitable for both basic and clinical applications. We present three-dimensional images of structurally complex collagenous tissues that illustrate the power of such 3-dimensional analyses to reveal the architecture of biological structures.« less

FT3D: three-dimensional Fourier analysis on small Unix workstations for electron microscopy and tomographic studies.

PubMed

Lanzavecchia, S; Bellon, P L; Tosoni, L

1993-12-01

FT3D is a self-contained package of tools for three-dimensional Fourier analysis, written in the C language for Unix workstations. It can evaluate direct transforms of three-dimensional real functions, inverse transforms, auto- and cross-correlations and spectra. The library has been developed to support three-dimensional reconstructions of biological structures from projections obtained in the electron microscope. This paper discusses some features of the library, which has been implemented in such a way as to profit from the resources of modern workstations. A table of elapsed times for jobs of different dimensions with different RAM buffers is reported for the particular hardware used in the authors' laboratory.

Three-dimensional six-connecting organic building blocks based on polychlorotriphenylmethyl units--synthesis, self-assembly, and magnetic properties.

PubMed

Roques, Nans; Maspoch, Daniel; Wurst, Klaus; Ruiz-Molina, Daniel; Rovira, Concepció; Veciana, Jaume

2006-12-13

The synthesis of a three-dimensional, six-connecting, organic building block based on a robust, rigid, and open-shell polychlorotriphenylmethyl (PTM) unit (radical 1) is reported, and its self-assembly properties are described in detail. The tendencies of this highly polar molecule and its hydrogenated precursor, compound 4, to form hydrogen bonds with oxygenated solvents ([1THF(6)] and [4THF(6)]) were reduced by replacing THF with diethyl ether in the crystallization process to yield two-dimensional (2D) hydrogen-bonded structures ([1(Et(2)O)(3)] and [4(Et(2)O)(3)]). The presence of direct hydrogen bonds between the radicals in the latter phase of 1 gives rise to very weak ferromagnetic intermolecular interactions at low temperatures, whereas when the radicals are isolated by THF molecules these interactions are antiferromagnetic and very weak. The role played by the carboxylic groups not only in the self-assembly properties but also in the transmission of the magnetic interactions has been illustrated by determination of the crystal structure and measurement of the magnetic properties of the corresponding hexaester radical 6, in which the close packing of molecular units gives rise to weak antiferromagnetic intermolecular interactions. Attempts to avoid solvation of the molecules in the solid state and to increase the structural and magnetic dimensionality were pursued by recrystallization of both compounds 1 and 4 from concentrated nitric acid, affording two three-dimensional (3D) robust hydrogen-bonded structures. While the structure obtained with compound 4 is characterized by the presence of polar channels and boxes containing water guest molecules along the c axis, radical 1 was oxidized to the corresponding fuchsone 10, which presented a completely different close-packed, guest-free structure.

Directed self-assembly of proteins into discrete radial patterns

PubMed Central

Thakur, Garima; Prashanthi, Kovur; Thundat, Thomas

2013-01-01

Unlike physical patterning of materials at nanometer scale, manipulating soft matter such as biomolecules into patterns is still in its infancy. Self-assembled monolayer (SAM) with surface density gradient has the capability to drive biomolecules in specific directions to create hierarchical and discrete structures. Here, we report on a two-step process of self-assembly of the human serum albumin (HSA) protein into discrete ring structures based on density gradient of SAM. The methodology involves first creating a 2-dimensional (2D) polyethylene glycol (PEG) islands with responsive carboxyl functionalities. Incubation of proteins on such pre-patterned surfaces results in direct self-assembly of protein molecules around PEG islands. Immobilization and adsorption of protein on such structures over time evolve into the self-assembled patterns. PMID:23719678

Hyperbolic Prismatic Grid Generation and Solution of Euler Equations on Prismatic Grids

NASA Technical Reports Server (NTRS)

Pandya, S. A.; Chattot, JJ; Hafez, M. M.; Kutler, Paul (Technical Monitor)

1994-01-01

A hyperbolic grid generation method is used to generate prismatic grids and an approach using prismatic grids to solve the Euler equations is presented. The theory of the stability and feasibility of the hyperbolic grid generation method is presented. The hyperbolic grid generation method of Steger et al for structured grids is applied to a three dimensional triangularized surface definition to generate a grid that is unstructured on each successive layer. The grid, however, retains structure in the body-normal direction and has a computational cell shaped like a triangular prism. In order to take advantage of the structure in the normal direction, a finite-volume scheme that treats the unknowns along the normal direction implicitly is introduced and the flow over a sphere is simulated.

Bionic Nanosystems

NASA Astrophysics Data System (ADS)

Sebastian Mannoor, Manu

Direct multidimensional integration of functional electronics and mechanical elements with viable biological systems could allow for the creation of bionic systems and devices possessing unique and advanced capabilities. For example, the ability to three dimensionally integrate functional electronic and mechanical components with biological cells and tissue could enable the creation of bionic systems that can have tremendous impact in regenerative medicine, prosthetics, and human-machine interfaces. However, as a consequence of the inherent dichotomy in material properties and limitations of conventional fabrication methods, the attainment of truly seamless integration of electronic and/or mechanical components with biological systems has been challenging. Nanomaterials engineering offers a general route for overcoming these dichotomies, primarily due to the existence of a dimensional compatibility between fundamental biological functional units and abiotic nanomaterial building blocks. One area of compelling interest for bionic systems is in the field of biomedical sensing, where the direct interfacing of nanosensors onto biological tissue or the human body could stimulate exciting opportunities such as on-body health quality monitoring and adaptive threat detection. Further, interfacing of antimicrobial peptide based bioselective probes onto the bionic nanosensors could offer abilities to detect pathogenic bacteria with bio-inspired selectivity. Most compellingly, when paired with additive manufacturing techniques such as 3D printing, these characteristics enable three dimensional integration and merging of a variety of functional materials including electronic, structural and biomaterials with viable biological cells, in the precise anatomic geometries of human organs, to form three dimensionally integrated, multi-functional bionic hybrids and cyborg devices with unique capabilities. In this thesis, we illustrate these approaches using three representative bionic systems: 1) Bionic Nanosensors: featuring bio-integrated graphene nanosensors for ubiquitous sensing, 2) Bionic Organs: featuring 3D printed bionic ears with three dimensionally integrated electronics and 3) Bionic Leaves: describing ongoing work in the direction of the creation of a bionic leaf enabled by the integration of plant derived photosynthetic functional units with electronic materials and components into a leaf-shaped hierarchical structure for harvesting photosynthetic bioelectricity.

Experimental Observation of One-Dimensional Superradiance Lattices in Ultracold Atoms

NASA Astrophysics Data System (ADS)

Chen, Liangchao; Wang, Pengjun; Meng, Zengming; Huang, Lianghui; Cai, Han; Wang, Da-Wei; Zhu, Shi-Yao; Zhang, Jing

2018-05-01

We measure the superradiant emission in a one-dimensional (1D) superradiance lattice (SL) in ultracold atoms. Resonantly excited to a superradiant state, the atoms are further coupled to other collectively excited states, which form a 1D SL. The directional emission of one of the superradiant excited states in the 1D SL is measured. The emission spectra depend on the band structure, which can be controlled by the frequency and intensity of the coupling laser fields. This work provides a platform for investigating the collective Lamb shift of resonantly excited superradiant states in Bose-Einstein condensates and paves the way for realizing higher dimensional superradiance lattices.

Comparison of Mars Science Laboratory Reaction Control System Jet Computations With Flow Visualization and Velocimetry

NASA Technical Reports Server (NTRS)

Bathel, Brett F.; Danehy, Paul M.; Johansen, Craig T.; Ashcraft, Scott W.; Novak, Luke A.

2013-01-01

Numerical predictions of the Mars Science Laboratory reaction control system jets interacting with a Mach 10 hypersonic flow are compared to experimental nitric oxide planar laser-induced fluorescence data. The steady Reynolds Averaged Navier Stokes equations using the Baldwin-Barth one-equation turbulence model were solved using the OVERFLOW code. The experimental fluorescence data used for comparison consists of qualitative two-dimensional visualization images, qualitative reconstructed three-dimensional flow structures, and quantitative two-dimensional distributions of streamwise velocity. Through modeling of the fluorescence signal equation, computational flow images were produced and directly compared to the qualitative fluorescence data.

Filament Winding Multifunctional Carbon Nanotube Composites of Various Dimensionality

NASA Astrophysics Data System (ADS)

Wells, Brian David

Carbon nanotubes (CNT) have been long considered an optimal material for composites due to their high strength, high modulus, and electrical/thermal conductivity. These composite materials have the potential to be used in the aerospace, computer, automotive, medical industry as well as many others. The nano dimensions of these structures make controlled alignment and distribution difficult using many production techniques. An area that shows promise for controlled alignment is the formation of CNT yarns. Different approaches have been used to create yarns with various winding angles and diameters. CNTs resemble traditional textile fiber structures due to their one-dimensional dimensions, axial strength and radial flexibility. One difference is, depending on the length, CNTs can have aspect ratios that far exceed those of traditional textile fibers. This can complicate processing techniques and cause agglomeration which prevents optimal structures from being created. However, with specific aspect ratios and spatial distributions a specific type of CNT, vertically aligned spinnable carbon nanotubes (VASCNTs), have interesting properties that allow carbon nanotubes to be drawn from an array in a continuous aligned web. This dissertation examines the feasibility of combining VASCNTs with another textile manufacturing process, filament winding, to create structures with various levels of dimensionality. While yarn formation with CNTs has been largely studied, there has not been significant work studying the use of VASCNTs to create composite materials. The studies that have been produces revolve around mixing CNTs into epoxy or creating uni-directional wound structures. In this dissertation VASCNTs are used to create filament wound materials with various degrees of alignment. These structures include 1 dimensional coatings applied to non-conductive polymer monofilaments, two dimensional multifunctional adhesive films, and three dimensional hybrid-nano composites. The angle of alignment between the individual CNTs relative to the overall structure was used to affect the electrical properties in all of these structures and the mechanical properties of the adhesive films and hybrid-nano composites. Varying the concentration of CNT was also found to have a significant effect on the electrical and mechanical properties. The variable properties that can be created with these production techniques allow users to engineer the structure to match the desired property.

Directly Reconstructing Principal Components of Heterogeneous Particles from Cryo-EM Images

PubMed Central

Tagare, Hemant D.; Kucukelbir, Alp; Sigworth, Fred J.; Wang, Hongwei; Rao, Murali

2015-01-01

Structural heterogeneity of particles can be investigated by their three-dimensional principal components. This paper addresses the question of whether, and with what algorithm, the three-dimensional principal components can be directly recovered from cryo-EM images. The first part of the paper extends the Fourier slice theorem to covariance functions showing that the three-dimensional covariance, and hence the principal components, of a heterogeneous particle can indeed be recovered from two-dimensional cryo-EM images. The second part of the paper proposes a practical algorithm for reconstructing the principal components directly from cryo-EM images without the intermediate step of calculating covariances. This algorithm is based on maximizing the (posterior) likelihood using the Expectation-Maximization algorithm. The last part of the paper applies this algorithm to simulated data and to two real cryo-EM data sets: a data set of the 70S ribosome with and without Elongation Factor-G (EF-G), and a data set of the inluenza virus RNA dependent RNA Polymerase (RdRP). The first principal component of the 70S ribosome data set reveals the expected conformational changes of the ribosome as the EF-G binds and unbinds. The first principal component of the RdRP data set reveals a conformational change in the two dimers of the RdRP. PMID:26049077

A Two-Dimensional Micro Scanner Integrated with a Piezoelectric Actuator and Piezoresistors

PubMed Central

Zhang, Chi; Zhang, Gaofei; You, Zheng

2009-01-01

A compact two-dimensional micro scanner with small volume, large deflection angles and high frequency is presented and the two-dimensional laser scanning is achieved by specular reflection. To achieve large deflection angles, the micro scanner excited by a piezoelectric actuator operates in the resonance mode. The scanning frequencies and the maximum scanning angles of the two degrees of freedom are analyzed by modeling and simulation of the structure. For the deflection angle measurement, piezoresistors are integrated in the micro scanner. The appropriate directions and crystal orientations of the piezoresistors are designed to obtain the large piezoresistive coefficients for the high sensitivities. Wheatstone bridges are used to measure the deflection angles of each direction independently and precisely. The scanner is fabricated and packaged with the piezoelectric actuator and the piezoresistors detection circuits in a size of 28 mm×20 mm×18 mm. The experiment shows that the two scanning frequencies are 216.8 Hz and 464.8 Hz, respectively. By an actuation displacement of 10 μm, the scanning range of the two-dimensional micro scanner is above 26° × 23°. The deflection angle measurement sensitivities for two directions are 59 mV/deg and 30 mV/deg, respectively. PMID:22389621

A two-dimensional micro scanner integrated with a piezoelectric actuator and piezoresistors.

PubMed

Zhang, Chi; Zhang, Gaofei; You, Zheng

2009-01-01

A compact two-dimensional micro scanner with small volume, large deflection angles and high frequency is presented and the two-dimensional laser scanning is achieved by specular reflection. To achieve large deflection angles, the micro scanner excited by a piezoelectric actuator operates in the resonance mode. The scanning frequencies and the maximum scanning angles of the two degrees of freedom are analyzed by modeling and simulation of the structure. For the deflection angle measurement, piezoresistors are integrated in the micro scanner. The appropriate directions and crystal orientations of the piezoresistors are designed to obtain the large piezoresistive coefficients for the high sensitivities. Wheatstone bridges are used to measure the deflection angles of each direction independently and precisely. The scanner is fabricated and packaged with the piezoelectric actuator and the piezoresistors detection circuits in a size of 28 mm×20 mm×18 mm. The experiment shows that the two scanning frequencies are 216.8 Hz and 464.8 Hz, respectively. By an actuation displacement of 10 μm, the scanning range of the two-dimensional micro scanner is above 26° × 23°. The deflection angle measurement sensitivities for two directions are 59 mV/deg and 30 mV/deg, respectively.

Directed assembly of three-dimensional structures with micron-scale features

DOEpatents

Gratson, Gregory; Lewis, Jennifer A.

2006-11-28

The invention provides polyelectrolyte inks comprising a solvent, a cationic polyelectrolyte, dissolved in the solvent, and an anionic polyelectrolyte, dissolved in the solvent. The concentration of at least one of the polyelectrolytes in the solvent is in a semidilute regime.

AFM Structural Characterization of Drinking Water Biofilm under Physiological Conditions

EPA Science Inventory

Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air...

Dimensional Precision Research of Wax Molding Rapid Prototyping based on Droplet Injection

NASA Astrophysics Data System (ADS)

Mingji, Huang; Geng, Wu; yan, Shan

2017-11-01

The traditional casting process is complex, the mold is essential products, mold quality directly affect the quality of the product. With the method of rapid prototyping 3D printing to produce mold prototype. The utility wax model has the advantages of high speed, low cost and complex structure. Using the orthogonal experiment as the main method, analysis each factors of size precision. The purpose is to obtain the optimal process parameters, to improve the dimensional accuracy of production based on droplet injection molding.

Fabrication and Characterization of Three Dimensional Photonic Crystals Generated by Multibeam Interference Lithography

DTIC Science & Technology

2009-01-01

and J. A. Lewis, "Microperiodic structures - Direct writing of three-dimensional webs ," Nature, vol. 428, pp. 386-386, 2004. [9] M. Campbell, D. N...of Applied Physics Part 1-Regular Papers Brief Communications & Review Papers , vol. 44, pp. 6355-6367, 2005. [75] P. Cloetens, W. Ludwig, J... paper screen on the sample holder and marking the beam position. If the central beam is properly aligned, the spot on the screen remains at the

Assembly of RNA nanostructures on supported lipid bilayers

NASA Astrophysics Data System (ADS)

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

2014-12-01

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 nano-structures 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.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 nano-structures 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. Electronic supplementary information (ESI) available: Table with sequences of tRNA units used in this study; schematic structures of the RNA polyhedron and its building blocks; gel electrophoresis characterization of the RNA polyhedron and squares; AFM characterization of RNA tectosquare; schematic structures of RNA-9 and RNA-10 and their association with lipid bilayers; QCM-D frequency and dissipation data (as function of time) for adsorption of RNA polyhedrons, RNA squares and RNA9-10 TIRF images of RNA with Gelstar after photobleaching with analysis; Correlation plot in change of shear viscosity for TS3 and TO3-4 models for the stoichiometry of TS; QCM-D dissipation data for the sequential experiment in Fig. 5a; QCM-D and for the assembly of building blocks at the bilayer scaffold at varying bulk concentrations; QCM-D of adsorption of TS3. See DOI: 10.1039/c4nr05968a

A new procedure for dynamic adaption of three-dimensional unstructured grids

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Strawn, Roger

1993-01-01

A new procedure is presented for the simultaneous coarsening and refinement of three-dimensional unstructured tetrahedral meshes. This algorithm allows for localized grid adaption that is used to capture aerodynamic flow features such as vortices and shock waves in helicopter flowfield simulations. The mesh-adaption algorithm is implemented in the C programming language and uses a data structure consisting of a series of dynamically-allocated linked lists. These lists allow the mesh connectivity to be rapidly reconstructed when individual mesh points are added and/or deleted. The algorithm allows the mesh to change in an anisotropic manner in order to efficiently resolve directional flow features. The procedure has been successfully implemented on a single processor of a Cray Y-MP computer. Two sample cases are presented involving three-dimensional transonic flow. Computed results show good agreement with conventional structured-grid solutions for the Euler equations.

Two-dimensional interferometric characterization of laser-induced refractive index profiles in bulk Topas polymer

NASA Astrophysics Data System (ADS)

Hessler, Steffen; Rosenberger, Manuel; Schmauss, Bernhard; Hellmann, Ralf

2018-01-01

In this paper we precisely determine laser-induced refractive index profiles created in cyclic olefin copolymer Topas 6017 employing a sophisticated phase shifting Mach-Zehnder interferometry approach. Beyond the usual one-dimensional modification depth measurement we highlight that for straight waveguide structures also a two-dimensional refractive index distribution can be directly obtained providing full information of a waveguide's exact cross section and its gradient refractive index contrast. Deployed as direct data input in optical waveguide simulation, the evaluated 2D refractive index profiles permit a detailed calculation of the waveguides' actual mode profiles. Furthermore, conventional one-dimensional interferometric measurements for refractive index depth profiles with varying total imposed laser fluence of a 248 nm KrF excimer laser are included to investigate the effect on refractive index modification depth. Maximum surface refractive index increase turns out to attain up to 1.86 ·10-3 enabling laser-written optical waveguide channels. Additionally, a comprehensive optical material characterization in terms of dispersion, thermo-optic coefficient and absorption measurement of unmodified and UV-modified Topas 6017 is carried out.

A Hierarchical MFI Zeolite with a Two-Dimensional Square Mesostructure.

PubMed

Shen, Xuefeng; Mao, Wenting; Ma, Yanhang; Xu, Dongdong; Wu, Peng; Terasaki, Osamu; Han, Lu; Che, Shunai

2018-01-15

A conceptual design and synthesis of ordered mesoporous zeolites is a challenging research subject in material science. Several seminal articles report that one-dimensional (1D) mesostructured lamellar zeolites are possibly directed by sheet-assembly of surfactants, which collapse after removal of intercalated surfactants. However, except for one example of two-dimensional (2D) hexagonal mesoporous zeolite, no other zeolites with ordered 2D or three-dimensional (3D) mesostructures have been reported. An ordered 2D mesoporous zeolite can be templated by a cylindrical assembly unit with specific interactions in the hydrophobic part. A template molecule with azobenzene in the hydrophobic tail and diquaternary ammonium in the hydrophilic head group directs hierarchical MFI zeolite with a 2D square mesostructure. The material has an elongated octahedral morphology, and quaternary, ordered, straight, square channels framed by MFI thin sheets expanded along the a-c planes and joined with 90° rotations. The structural matching between the cylindrical assembly unit and zeolite framework is crucial for mesostructure construction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bulk-like-phonon polaritons in one-dimensional photonic superlattices

NASA Astrophysics Data System (ADS)

Gómez-Urrea, H. A.; Duque, C. A.; Mora-Ramos, M. E.

2017-05-01

We investigate the properties of a one-dimensional photonic superlattice made of alternating layers of air and wurtzite aluminum nitride. The Maxwell equations are solved for any admissible values of the angle of incidence by means of the transfer matrix formalism. The band structure of the frequency spectrum is obtained, as well as the density of states and transmittance associated to both the TM and TE modes. The dispersion relations indicate that for oblique incidence and TM modes there is a component of the electric field oriented along the growth direction of the structure that couples with the longitudinal optical phonon oscillations of the aluminum nitride thus leading to the appearance of longitudinal phonon polaritons in the system.

Proposed square spiral microfabrication architecture for large three-dimensional photonic band gap crystals.

PubMed

Toader, O; John, S

2001-05-11

We present a blueprint for a three-dimensional photonic band gap (PBG) material that is amenable to large-scale microfabrication on the optical scale using glancing angle deposition methods. The proposed chiral crystal consists of square spiral posts on a tetragonal lattice. In the case of silicon posts in air (direct structure), the full PBG can be as large as 15% of the gap center frequency, whereas for air posts in a silicon background (inverted structure) the maximum PBG is 24% of the center frequency. This PBG occurs between the fourth and fifth bands of the photon dispersion relation and is very robust to variations (disorder) in the geometrical parameters of the crystal.

Transition to spatiotemporal chaos in a two-dimensional hydrodynamic system.

PubMed

Pirat, Christophe; Naso, Aurore; Meunier, Jean-Louis; Maïssa, Philippe; Mathis, Christian

2005-04-08

We study the transition to spatiotemporal chaos in a two-dimensional hydrodynamic experiment where liquid columns take place in the gravity induced instability of a liquid film. The film is formed below a plane grid which is used as a porous media and is continuously supplied with a controlled flow rate. This system can be either ordered (on a hexagonal structure) or disordered depending on the flow rate. We observe, for the first time in an initially structured state, a subcritical transition to spatiotemporal disorder which arises through spatiotemporal intermittency. Statistics of numbers, creations, and fusions of columns are investigated. We exhibit a critical behavior close to the directed percolation one.

Hybrid metal–organic chalcogenide nanowires with electrically conductive inorganic core through diamondoid-directed assembly

DOE PAGES

Yan, Hao; Hohman, J. Nathan; Li, Fei Hua; ...

2016-12-26

Controlling inorganic structure and dimensionality through structure-directing agents is a versatile approach for new materials synthesis that has been used extensively for metal–organic frameworks and coordination polymers. However, the lack of ‘solid’ inorganic cores requires charge transport through single-atom chains and/or organic groups, limiting their electronic properties. Here, we report that strongly interacting diamondoid structure-directing agents guide the growth of hybrid metal–organic chalcogenide nanowires with solid inorganic cores having three-atom cross-sections, representing the smallest possible nanowires. The strong van der Waals attraction between diamondoids overcomes steric repulsion leading to a cis configuration at the active growth front, enabling face-on additionmore » of precursors for nanowire elongation. These nanowires have band-like electronic properties, low effective carrier masses and three orders-of-magnitude conductivity modulation by hole doping. Furthermore, this discovery highlights a previously unexplored regime of structure-directing agents compared with traditional surfactant, block copolymer or metal–organic framework linkers.« less

Cancellation exponent and multifractal structure in two-dimensional magnetohydrodynamics: direct numerical simulations and Lagrangian averaged modeling.

PubMed

Graham, Jonathan Pietarila; Mininni, Pablo D; Pouquet, Annick

2005-10-01

We present direct numerical simulations and Lagrangian averaged (also known as alpha model) simulations of forced and free decaying magnetohydrodynamic turbulence in two dimensions. The statistics of sign cancellations of the current at small scales is studied using both the cancellation exponent and the fractal dimension of the structures. The alpha model is found to have the same scaling behavior between positive and negative contributions as the direct numerical simulations. The alpha model is also able to reproduce the time evolution of these quantities in free decaying turbulence. At large Reynolds numbers, an independence of the cancellation exponent with the Reynolds numbers is observed.

Mode structure symmetry breaking of energetic particle driven beta-induced Alfvén eigenmode

NASA Astrophysics Data System (ADS)

Lu, Z. X.; Wang, X.; Lauber, Ph.; Zonca, F.

2018-01-01

The mode structure symmetry breaking of energetic particle driven Beta-induced Alfvén Eigenmode (BAE) is studied based on global theory and simulation. The weak coupling formula gives a reasonable estimate of the local eigenvalue compared with global hybrid simulation using XHMGC. The non-perturbative effect of energetic particles on global mode structure symmetry breaking in radial and parallel (along B) directions is demonstrated. With the contribution from energetic particles, two dimensional (radial and poloidal) BAE mode structures with symmetric/asymmetric tails are produced using an analytical model. It is demonstrated that the symmetry breaking in radial and parallel directions is intimately connected. The effects of mode structure symmetry breaking on nonlinear physics, energetic particle transport, and the possible insight for experimental studies are discussed.

Four-port coupled channel-guide device based on 2D photonic crystal structure

NASA Astrophysics Data System (ADS)

Camargo, Edilson A.; Chong, Harold M. H.; De La Rue, Richard M.

2004-12-01

We have fabricated and measured a four-port coupled channel-waveguide device using W1 channel waveguides oriented along ΓK directions in a two-dimensional (2D) hole-based planar photonic crystal (PhC) based on silicon-on-insulator (SOI) waveguide material, at operation wavelengths around 1550 nm. 2D FDTD simulations and experimental results are shown and compared. The structure has been designed using a mode conversion approach, combined with coupled-mode concepts. The overall length of the photonic crystal structure is typically about 39 μm and the structure has been fabricated using a combination of direct-write electron-beam lithography (EBL) and dry-etch processing. Devices were measured using a tunable laser with end-fire coupling into the planar structure.

Photoelectron diffraction and holography: Some new directions

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

Fadley, C.S.

1993-08-01

Photoelectron diffraction has by now become a versatile and powerful technique for studying surface structures, with special capabilities for resolving chemical and magnetic states of atoms and deriving direct structural information from both forward scattering along bond directions and back-scattering path length differences. Further fitting experiment to theory can lead to structural accuracies in the {plus_minus}0.03 ){Angstrom} range. Holographic inversions of such diffraction data also show considerable promise for deriving local three-dimensional structures around a given emitter with accuracies of {plus_minus}0.2--0.3 {Angstrom}. Resolving the photoelectron spin in some way and using circularly polarized radiation for excitation provide added dimensions formore » the study of magnetic systems and chiral experimental geometries. Synchrotron radiation with the highest brightness and energy resolution, as well as variable polarization, is crucial to the full exploitation of these techniques.« less

The role of stoichiometric vacancy periodicity in pressure-induced amorphization of the Ga{sub 2}SeTe{sub 2} semiconductor alloy

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

Abdul-Jabbar, N. M.; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Kalkan, B.

2014-08-04

We observe that pressure-induced amorphization of Ga{sub 2}SeTe{sub 2} (a III-VI semiconductor) is directly influenced by the periodicity of its intrinsic defect structures. Specimens with periodic and semi-periodic two-dimensional vacancy structures become amorphous around 10–11 GPa in contrast to those with aperiodic structures, which amorphize around 7–8 GPa. The result is an instance of altering material phase-change properties via rearrangement of stoichiometric vacancies as opposed to adjusting their concentrations. Based on our experimental findings, we posit that periodic two-dimensional vacancy structures in Ga{sub 2}SeTe{sub 2} provide an energetically preferred crystal lattice that is less prone to collapse under applied pressure. This ismore » corroborated through first-principles electronic structure calculations, which demonstrate that the energy stability of III-VI structures under hydrostatic pressure is highly dependent on the configuration of intrinsic vacancies.« less

Hubble space telescope observations and geometric models of compact multipolar planetary nebulae

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

Hsia, Chih-Hao; Chau, Wayne; Zhang, Yong

2014-05-20

We report high angular resolution Hubble Space Telescope observations of 10 compact planetary nebulae (PNs). Many interesting internal structures, including multipolar lobes, arcs, two-dimensional rings, tori, and halos, are revealed for the first time. These results suggest that multipolar structures are common among PNs, and these structures develop early in their evolution. From three-dimensional geometric models, we have determined the intrinsic dimensions of the lobes. Assuming the lobes are the result of interactions between later-developed fast winds and previously ejected asymptotic giant branch winds, the geometric structures of these PNs suggest that there are multiple phases of fast winds separatedmore » by temporal variations and/or directional changes. A scenario of evolution from lobe-dominated to cavity-dominated stages is presented. The results reported here will provide serious constraints on any dynamical models of PNs.« less

Multivariate Analysis of Two-Dimensional 1H, 13C Methyl NMR Spectra of Monoclonal Antibody Therapeutics To Facilitate Assessment of Higher Order Structure.

PubMed

Arbogast, Luke W; Delaglio, Frank; Schiel, John E; Marino, John P

2017-11-07

Two-dimensional (2D) 1 H- 13 C methyl NMR provides a powerful tool to probe the higher order structure (HOS) of monoclonal antibodies (mAbs), since spectra can readily be acquired on intact mAbs at natural isotopic abundance, and small changes in chemical environment and structure give rise to observable changes in corresponding spectra, which can be interpreted at atomic resolution. This makes it possible to apply 2D NMR spectral fingerprinting approaches directly to drug products in order to systematically characterize structure and excipient effects. Systematic collections of NMR spectra are often analyzed in terms of the changes in specifically identified peak positions, as well as changes in peak height and line widths. A complementary approach is to apply principal component analysis (PCA) directly to the matrix of spectral data, correlating spectra according to similarities and differences in their overall shapes, rather than according to parameters of individually identified peaks. This is particularly well-suited for spectra of mAbs, where some of the individual peaks might not be well resolved. Here we demonstrate the performance of the PCA method for discriminating structural variation among systematic sets of 2D NMR fingerprint spectra using the NISTmAb and illustrate how spectral variability identified by PCA may be correlated to structure.

Small-sized PdCu nanocapsules on 3D graphene for high-performance ethanol oxidation

NASA Astrophysics Data System (ADS)

HuThese Authors Contributed Equally To This Work., Chuangang; Zhai, Xiangquan; Zhao, Yang; Bian, Ke; Zhang, Jing; Qu, Liangti; Zhang, Huimin; Luo, Hongxia

2014-02-01

A one-pot solvothermal process has been developed for direct preparation of PdCu nanocapsules (with a size of ca. 10 nm) on three-dimensional (3D) graphene. Due to the 3D pore-rich network of graphene and the unique hollow structure of PdCu nanocapsules with a wall thickness of ca. 3 nm, the newly-prepared PdCu/3D graphene hybrids activated electrochemically have great electrocatalytic activity towards ethanol oxidation in alkaline media, much better than single-phase Pd and commercial E-TEK 20% Pt/C catalysts promising for application in direct ethanol fuel cells.A one-pot solvothermal process has been developed for direct preparation of PdCu nanocapsules (with a size of ca. 10 nm) on three-dimensional (3D) graphene. Due to the 3D pore-rich network of graphene and the unique hollow structure of PdCu nanocapsules with a wall thickness of ca. 3 nm, the newly-prepared PdCu/3D graphene hybrids activated electrochemically have great electrocatalytic activity towards ethanol oxidation in alkaline media, much better than single-phase Pd and commercial E-TEK 20% Pt/C catalysts promising for application in direct ethanol fuel cells. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr05722d

Lump waves and breather waves for a (3+1)-dimensional generalized Kadomtsev-Petviashvili Benjamin-Bona-Mahony equation for an offshore structure

NASA Astrophysics Data System (ADS)

Yin, Ying; Tian, Bo; Wu, Xiao-Yu; Yin, Hui-Min; Zhang, Chen-Rong

2018-04-01

In this paper, we investigate a (3+1)-dimensional generalized Kadomtsev-Petviashvili Benjamin-Bona-Mahony equation, which describes the fluid flow in the case of an offshore structure. By virtue of the Hirota method and symbolic computation, bilinear forms, the lump-wave and breather-wave solutions are derived. Propagation characteristics and interaction of lump waves and breather waves are graphically discussed. Amplitudes and locations of the lump waves, amplitudes and periods of the breather waves all vary with the wavelengths in the three spatial directions, ratio of the wave amplitude to the depth of water, or product of the depth of water and the relative wavelength along the main direction of propagation. Of the interactions between the lump waves and solitons, there exist two different cases: (i) the energy is transferred from the lump wave to the soliton; (ii) the energy is transferred from the soliton to the lump wave.

Surface tension driven aggregation of organic nanowires via lab in a droplet.

PubMed

Gu, Jianmin; Yin, Baipeng; Fu, Shaoyan; Feng, Man; Zhang, Ziming; Dong, Haiyun; Gao, Faming; Zhao, Yong Sheng

2018-06-05

Directing the architecture of complex organic nanostructures is desirable and still remains a challenge in areas of materials science due to their structure-dependent collective optoelectronic properties. Herein, we demonstrate a simple and versatile solution strategy that allows surface tension to drive low-dimensional nanostructures to aggregate into complex structures via a lab in a droplet technique. By selecting a suitable combination of a solvent and an anti-solvent with controllable surface tension difference, the droplets can be automatically cracked into micro-droplets, which provides an aggregation force directed toward the centre of the droplet to drive the low-dimensional building blocks to form the special aggregations during the self-assembly process. This synthetic strategy has been shown to be universal for organic materials, which is beneficial for further optimizing the optoelectronic properties. These results contribute to gaining an insightful understanding on the detailed growth mechanism of complex organic nanostructures and greatly promoting the development of organic nanophotonics.

Core-Shell Magnetic Morphology of Structurally Uniform Magnetite Nanoparticles

NASA Astrophysics Data System (ADS)

Krycka, K. L.; Booth, R. A.; Hogg, C. R.; Ijiri, Y.; Borchers, J. A.; Chen, W. C.; Watson, S. M.; Laver, M.; Gentile, T. R.; Dedon, L. R.; Harris, S.; Rhyne, J. J.; Majetich, S. A.

2010-05-01

A new development in small-angle neutron scattering with polarization analysis allows us to directly extract the average spatial distributions of magnetic moments and their correlations with three-dimensional directional sensitivity in any magnetic field. Applied to a collection of spherical magnetite nanoparticles 9.0 nm in diameter, this enhanced method reveals uniformly canted, magnetically active shells in a nominally saturating field of 1.2 T. The shell thickness depends on temperature, and it disappears altogether when the external field is removed, confirming that these canted nanoparticle shells are magnetic, rather than structural, in origin.

Linear Instability of a Uni-Directional Transversely Sheared Mean Flow

NASA Technical Reports Server (NTRS)

Wundrow, David W.

1996-01-01

The effect of spanwise-periodic mean-flow distortions (i.e. streamwise-vortex structures) on the evolution of small-amplitude, single-frequency instability waves in an otherwise two-dimensional shear flow is investigated. The streamwise-vortex structures are taken to be just weak enough so that the spatially growing instability waves behave (locally) like linear perturbations about a uni-directional transversely sheared mean flow. Numerical solutions are computed and discussed for both the mean flow and the instability waves. The influence of the streamwise-vortex wavelength on the properties of the most rapidly growing instability wave is also discussed.

Grazing-incidence small angle x-ray scattering studies of nanoscale polymer gratings

NASA Astrophysics Data System (ADS)

Doxastakis, Manolis; Suh, Hyo Seon; Chen, Xuanxuan; Rincon Delgadillo, Paulina A.; Wan, Lingshu; Williamson, Lance; Jiang, Zhang; Strzalka, Joseph; Wang, Jin; Chen, Wei; Ferrier, Nicola; Ramirez-Hernandez, Abelardo; de Pablo, Juan J.; Gronheid, Roel; Nealey, Paul

2015-03-01

Grazing-Incidence Small Angle X-ray Scattering (GISAXS) offers the ability to probe large sample areas, providing three-dimensional structural information at high detail in a thin film geometry. In this study we exploit the application of GISAXS to structures formed at one step of the LiNe (Liu-Nealey) flow using chemical patterns for directed self-assembly of block copolymer films. Experiments conducted at the Argonne National Laboratory provided scattering patterns probing film characteristics at both parallel and normal directions to the surface. We demonstrate the application of new computational methods to construct models based on scattering measured. Such analysis allows for extraction of structural characteristics at unprecedented detail.

Synthesis and excellent field emission properties of three-dimensional branched GaN nanowire homostructures

NASA Astrophysics Data System (ADS)

Li, Enling; Sun, Lihe; Cui, Zhen; Ma, Deming; Shi, Wei; Wang, Xiaolin

2016-10-01

Three-dimensional branched GaN nanowire homostructures have been synthesized on the Si substrate via a two-step approach by chemical vapor deposition. Structural characterization reveals that the single crystal GaN nanowire trunks have hexagonal wurtzite characteristics and grow along the [0001] direction, while the homoepitaxial single crystal branches grow in a radial direction from the six-sided surfaces of the trunks. The field emission measurements demonstrate that the branched GaN nanowire homostructures have excellent field emission properties, with low turn-on field at 2.35 V/μm, a high field enhancement factor of 2938, and long emission current stability. This indicates that the present branched GaN nanowire homostructures will become valuable for practical field emission applications.

Mesenchymal Stem Cells Sense Three Dimensional Type I Collagen through Discoidin Domain Receptor 1.

PubMed

Lund, A W; Stegemann, J P; Plopper, G E

2009-01-01

The extracellular matrix provides structural and organizational cues for tissue development and defines and maintains cellular phenotype during cell fate determination. Multipotent mesenchymal stem cells use this matrix to tightly regulate the balance between their differentiation potential and self-renewal in the native niche. When understood, the mechanisms that govern cell-matrix crosstalk during differentiation will allow for efficient engineering of natural and synthetic matrices to specifically direct and maintain stem cell phenotype. This work identifies the discoidin domain receptor 1 (DDR1), a collagen activated receptor tyrosine kinase, as a potential link through which stem cells sense and respond to the 3D organization of their extracellular matrix microenvironment. DDR1 is dependent upon both the structure and proteolytic state of its collagen ligand and is specifically expressed and localized in three dimensional type I collagen culture. Inhibition of DDR1 expression results in decreased osteogenic potential, increased cell spreading, stress fiber formation and ERK1/2 phosphorylation. Additionally, loss of DDR1 activity alters the cell-mediated organization of the naïve type I collagen matrix. Taken together, these results demonstrate a role for DDR1 in the stem cell response to and interaction with three dimensional type I collagen. Dynamic changes in cell shape in 3D culture and the tuning of the local ECM microstructure, directs crosstalk between DDR1 and two dimensional mechanisms of osteogenesis that can alter their traditional roles.

Two-dimensional tricycle arsenene with a direct band gap.

PubMed

Ma, ShuangYing; Zhou, Pan; Sun, L Z; Zhang, K W

2016-03-28

Based on a comprehensive investigation including ab initio phonon and finite-temperature molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T-As) is robust and even stable under high temperature. T-As is energetically comparable to previously reported chair-shaped arsenene (C-As) and more stable than stirrup-shaped arsenene (S-As). In contrast to C-As and S-As, the monolayer T-As is a direct band gap semiconductor with an energy gap of 1.377 eV. Our results indicate that the electronic structure of T-As can be effectively modulated by stacking, strain, and patterning, which shows great potential of T-As in future nano-electronics. Moreover, by absorbing H or F atoms on the surface of T-As along a specific direction, nanoribbons with desired edge type and even width can be obtained, which is suitable for the fabrication of nano-devices.

Behavior of streamwise rib vortices in a three-dimensional mixing layer

NASA Technical Reports Server (NTRS)

Lopez, J. M.; Bulbeck, C. J.

1992-01-01

The structure and behavior of a streamwise rib vortex in a direct numerical simulation of a time-developing three-dimensional incompressible plane mixing layer is examined. Where the rib vortex is being stretched, the vorticity vector is primarily directed in the vortex axial direction and the radial and azimuthal velocity distribution is similar to that of a Burger's vortex. In the region where the vortex stretching is negative, there is a change in the local topology of the vortex. The axial flow is decelerated and a negative azimuthal component of vorticity is induced. These features are characteristic of vortex breakdown. The temporal evolution of the rib vortex is similar to the evolution of an axisymmetric vortex in the early stages of vortex breakdown. The effect of vortex breakdown on other parts of the flow is, however, not as significant as the interaction between the rib vortex and other vortices.

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.

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.

Towards realistic flow modelling. Creation and evaluation of two-dimensional simulated porous media: An image analysis approach

NASA Astrophysics Data System (ADS)

Anguy, Yannick; Bernard, Dominique; Ehrlich, Robert

1996-05-01

This work is part of an attempt to quantify the relationship between the permeability tensor ( K) and the micro-structure of natural porous media. A brief account is first provided of popular theories used to relate the micro-structure to K. Reasons for the lack of predictive power and restricted generality of current models are discussed. An alternative is an empirically based implicit model wherein K is expressed as a consequence of a few “pore-types” arising from the dynamics of depositional processes. The analytical form of that implicit model arises from evidence of universal association between pore-type and throat size in sandstones and carbonates. An explicit model, relying on the local change of scale technique is then addressed. That explicit model allows, from knowledge of the three-dimensional micro-geometry to calculate K explicitly without having recourse to any constitutive assumptions. The predictive and general character of the explicit model is underlined. The relevance of the change of scale technique is recalled to be contingent on the availability of rock-like three-dimensional synthetic media. A random stationary ergodic process is developed, that allows us to generate three-dimensional synthetic media from a two-dimensional autocorrelation function r(λ x ,λ y ) and associated probability density function ∈ β measured on a single binary image. The focus of this work is to ensure the rock-like character of those synthetic media. This is done first through a direct approach: n two-dimensional synthetic media, derived from single set ( ∈ β , r(λ x ,λ y )) yield n permeability tensors K {/i-1,n i} (calculated by the local change of scale) of the same order. This is a necessary condition to ensure that r(λ x ,λ y ) and ∈ β carry all structural information relevant to K. The limits of this direct approach, in terms of required Central Process Unit time and Memory is underlined, raising the need for an alternative. This is done by comparing the pore-type content of a sandstone sample and n synthetic media derived from r(λ x ,λ y ) and ∈ β measured on that sandstone-sample. Achievement of a good match ensures that the synthetic media comprise the fundamental structural level of all natural sandstones, that is a domainal structure of well-packed clusters of grains bounded by loose-packed pores.

Direction-finding measurements of type 3 radio bursts out of the ecliptic plane

NASA Technical Reports Server (NTRS)

Baumback, M. M.; Kurth, W. S.; Gurnett, D. A.

1975-01-01

Direction-finding measurements with the plasma wave experiments on the HAWKEYE 1 and IMP 8 satellites are used to find the source locations of type 3 solar radio bursts in heliocentric latitude and longitude in a frequency range from 31.1 kHz to 500 kHz. Using an empirical model for the emission frequency as a function of radial distance from the sun the three-dimensional trajectory of the type 3 radio source can be determined from direction-finding measurements at different frequencies. Since the electrons which produce these radio emissions follow the magnetic field lines from the sun these measurements provide information on the three-dimensional structure of the magnetic field in the solar wind. The source locations projected into the ecliptic plane follow an Archimedian spiral. Perpendicular to the ecliptic plane the source locations usually follow a constant heliocentric latitude. With direction-finding measurements of this type it is also possible to determine the source size from the modulation factor of the received signals.

Resonant scattering from a two-dimensional honeycomb PT dipole structure

NASA Astrophysics Data System (ADS)

Markoš, P.; Kuzmiak, V.

2018-05-01

We studied numerically the electromagnetic response of the finite periodic structure consisting of the PT dipoles represented by two infinitely long, parallel cylinders with the opposite sign of the imaginary part of a refractive index, which are centered at the positions of a two-dimensional honeycomb lattice. We observed that the total scattered energy reveals a series of sharp resonances at which the energy increases by two orders of magnitude and an incident wave is scattered only in a few directions given by spatial symmetry of the periodic structure. We explain this behavior by analysis of the complex frequency spectra associated with an infinite honeycomb array of the PT dipoles and identify the lowest resonance with the broken PT -symmetry mode formed by a doubly degenerate pair with complex conjugate eigenfrequencies corresponding to the K point of the reciprocal lattice.

New Three-Dimensional Porous Electrode Concept: Vertically-Aligned Carbon Nanotubes Directly Grown on Embroidered Copper Structures

PubMed Central

Amade, Roger; Hussain, Shahzad; Bertran, Enric; Bechtold, Thomas

2017-01-01

New three-dimensional (3D) porous electrode concepts are required to overcome limitations in Li-ion batteries in terms of morphology (e.g., shapes, dimensions), mechanical stability (e.g., flexibility, high electroactive mass loadings), and electrochemical performance (e.g., low volumetric energy densities and rate capabilities). Here a new electrode concept is introduced based on the direct growth of vertically-aligned carbon nanotubes (VA-CNTs) on embroidered Cu current collectors. The direct growth of VA-CNTs was achieved by plasma-enhanced chemical vapor deposition (PECVD), and there was no application of any post-treatment or cleaning procedure. The electrochemical behavior of the as-grown VA-CNTs was analyzed by charge/discharge cycles at different specific currents and with electrochemical impedance spectroscopy (EIS) measurements. The results were compared with values found in the literature. The as-grown VA-CNTs exhibit higher specific capacities than graphite and pristine VA-CNTs found in the literature. This together with the possibilities that the Cu embroidered structures offer in terms of specific surface area, total surface area, and designs provide a breakthrough in new 3D electrode concepts. PMID:29232892

Cross-section imaging and p-type doping assessment of ZnO/ZnO:Sb core-shell nanowires by scanning capacitance microscopy and scanning spreading resistance microscopy

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

Wang, Lin, E-mail: lin.wang@insa-lyon.fr; Brémond, Georges; Sallet, Vincent

2016-08-29

ZnO/ZnO:Sb core-shell structured nanowires (NWs) were grown by the metal organic chemical vapor deposition method where the shell was doped with antimony (Sb) in an attempt to achieve ZnO p-type conduction. To directly investigate the Sb doping effect in ZnO, scanning capacitance microscopy (SCM) and scanning spreading resistance microscopy (SSRM) were performed on the NWs' cross-sections mapping their two dimensional (2D) local electrical properties. Although no direct p-type inversion in ZnO was revealed, a lower net electron concentration was pointed out for the Sb-doped ZnO shell layer with respect to the non-intentionally doped ZnO core, indicating an evident compensating effectmore » as a result of the Sb incorporation, which can be ascribed to the formation of Sb-related acceptors. The results demonstrate SCM/SSRM investigation being a direct and effective approach for characterizing radial semiconductor one-dimensional (1D) structures and, particularly, for the doping study on the ZnO nanomaterial towards its p-type realization.« less

Simulation of light propagation in the thin-film waveguide lens

NASA Astrophysics Data System (ADS)

Malykh, M. D.; Divakov, D. V.; Sevastianov, L. A.; Sevastianov, A. L.

2018-04-01

In this paper we investigate the solution of the problem of modeling the propagation of electromagnetic radiation in three-dimensional integrated optical structures, such as waveguide lenses. When propagating through three-dimensional waveguide structures the waveguide modes can be hybridized, so the mathematical model of their propagation must take into account the connection of TE- and TM-mode components. Therefore, an adequate consideration of hybridization of the waveguide modes is possible only in vector formulation of the problem. An example of three-dimensional structure that hybridizes waveguide modes is the Luneburg waveguide lens, which also has focusing properties. If the waveguide lens has a radius of the order of several tens of wavelengths, its variable thickness at distances of the order of several wavelengths is almost constant. Assuming in this case that the electromagnetic field also varies slowly in the direction perpendicular to the direction of propagation, one can introduce a small parameter characterizing this slow varying and decompose the solution in powers of the small parameter. In this approach, in the zeroth approximation, scalar diffraction problems are obtained, the solution of which is less resource-consuming than the solution of vector problems. The calculated first-order corrections of smallness describe the connection of TE- and TM-modes, so the solutions obtained are weakly-hybridized modes. The formulation of problems and methods for their numerical solution in this paper are based on the authors' research on waveguide diffraction on a lens in a scalar formulation.

Mapping geoelectric fields during magnetic storms: Synthetic analysis of empirical United States impedances

NASA Astrophysics Data System (ADS)

Bedrosian, Paul A.; Love, Jeffrey J.

2015-12-01

Empirical impedance tensors obtained from EarthScope magnetotelluric data at sites distributed across the midwestern United States are used to examine the feasibility of mapping magnetic storm induction of geoelectric fields. With these tensors, in order to isolate the effects of Earth conductivity structure, we perform a synthetic analysis—calculating geoelectric field variations induced by a geomagnetic field that is geographically uniform but varying sinusoidally with a chosen set of oscillation frequencies that are characteristic of magnetic storm variations. For north-south oriented geomagnetic oscillations at a period of T0=100 s, induced geoelectric field vectors show substantial geographically distributed differences in amplitude (approximately a factor of 100), direction (up to 130∘), and phase (over a quarter wavelength). These differences are the result of three-dimensional Earth conductivity structure, and they highlight a shortcoming of one-dimensional conductivity models (and other synthetic models not derived from direct geophysical measurement) that are used in the evaluation of storm time geoelectric hazards for the electric power grid industry. A hypothetical extremely intense magnetic storm having 500 nT amplitude at T0=100 s would induce geoelectric fields with an average amplitude across the midwestern United States of about 2.71 V/km, but with a representative site-to-site range of 0.15 V/km to 16.77 V/km. Significant improvement in the evaluation of such hazards will require detailed knowledge of the Earth's interior three-dimensional conductivity structure.

A new method of three-dimensional computer assisted reconstruction of the developing biliary tract.

PubMed

Prudhomme, M; Gaubert-Cristol, R; Jaeger, M; De Reffye, P; Godlewski, G

1999-01-01

A three-dimensional (3-D) computer assisted reconstruction of the biliary tract was performed in human and rat embryos at Carnegie stage 23 to describe and compare the biliary structures and to point out the anatomic relations between the structures of the hepatic pedicle. Light micrograph images from consecutive serial sagittal sections (diameter 7 mm) of one human and 16 rat embryos were directly digitalized with a CCD camera. The serial views were aligned automatically by software. The data were analysed following segmentation and thresholding, allowing automatic reconstruction. The main bile ducts ascended in the mesoderm of the hepatoduodenal ligament. The extrahepatic bile ducts: common bile duct (CD), cystic duct and gallbladder in the human, formed a compound system which could not be shown so clearly in histologic sections. The hepato-pancreatic ampulla was studied as visualised through the duodenum. The course of the CD was like a chicane. The gallbladder diameter and length were similar to those of the CD. Computer-assisted reconstruction permitted easy acquisition of the data by direct examination of the sections through the microscope. This method showed the relationships between the different structures of the hepatic pedicle and allowed estimation of the volume of the bile duct. These findings were not obvious in two-dimensional (2-D) views from histologic sections. Each embryonic stage could be rebuilt in 3-D, which could introduce the time as a fourth dimension, fundamental for the study of organogenesis.

Bandgaps and directional propagation of elastic waves in 2D square zigzag lattice structures

NASA Astrophysics Data System (ADS)

Wang, Yan-Feng; Wang, Yue-Sheng; Zhang, Chuanzeng

2014-12-01

In this paper we propose various types of two-dimensional (2D) square zigzag lattice structures, and we study their bandgaps and directional propagation of elastic waves. The band structures and the transmission spectra of the systems are calculated by using the finite element method. The effects of the geometry parameters of the 2D-zigzag lattices on the bandgaps are investigated and discussed. The mechanism of the bandgap generation is analyzed by studying the vibration modes at the bandgap edges. Multiple wide complete bandgaps are found in a wide porosity range owing to the separation of the degeneracy by introducing bending arms. The bandgaps are sensitive to the geometry parameters of the systems. The deformed displacement fields of the transient response of finite structures subjected to time-harmonic loads are presented to show the directional wave propagation. The research in this paper is relevant to the practical design of cellular structures with enhanced vibro-acoustics performance.

Defect propagation in one-, two-, and three-dimensional compounds doped by magnetic atoms

DOE PAGES

Furrer, A.; Podlesnyak, A.; Krämer, K. W.; ...

2014-10-29

Inelastic neutron scattering experiments were performed to study manganese(II) dimer excitations in the diluted one-, two-, and three-dimensional compounds CsMn xMg 1-xBr 3, K 2Mn xZn 1-xF 4, and KMn xZn 1-xF 3 (x≤0.10), respectively. The transitions from the ground-state singlet to the excited triplet, split into a doublet and a singlet due to the single-ion anisotropy, exhibit remarkable fine structures. These unusual features are attributed to local structural inhomogeneities induced by the dopant Mn atoms which act like lattice defects. Statistical models support the theoretically predicted decay of atomic displacements according to 1/r 2, 1/r, and constant (for three-,more » two-, and one-dimensional compounds, respectively) where r denotes the distance of the displaced atoms from the defect. In conclusion, the observed fine structures allow a direct determination of the local exchange interactions J, and the local intradimer distances R can be derived through the linear law dJ/dR.« less

The construction of tridimensional representation of body and external reality in man. The greatest achievement of evolution to date implications for virtual reality.

PubMed

Woodbury, M A; Woodbury, M F

1998-01-01

Our 3-D Body Representation constructed during development by our Central Nervous System under the direction of our DNA, consists of a holographic representation arising from sensory input in the cerebellum and projected extraneurally in the brain ventricular fluid which has the chemical structure of liquid crystal. The structure of 3-D holographic Body Representation is then extrapolated by such cognitive instruments as boundarization, geometrization and gestalt organization upon the external environment which is perceived consequently as three dimensional. When the Body Representation collapses as in psychotic panic states. patients become terrified as they suddenly lose the perception of themselves and the world around them as three dimensional, solid in a reliably solid environment but feel suddenly that they are no longer a person but a disorganized blob. In our clinical practice we found serendipitously that the structure of three dimensionality can be restored even without medication by techniques involving stimulation of the body sensory system in the presence of a benevolent psychotherapist. Implications for Virtual Reality will be discussed.

Probing quasi-one-dimensional band structures by plasmon spectroscopy

NASA Astrophysics Data System (ADS)

Lichtenstein, T.; Mamiyev, Z.; Braun, C.; Sanna, S.; Schmidt, W. G.; Tegenkamp, C.; Pfnür, H.

2018-04-01

The plasmon dispersion is inherently related to the continuum of electron-hole pair excitations. Therefore, the comparison of this continuum, as derived from band structure calculations, with experimental data of plasmon dispersion, can yield direct information about the form of the occupied as well as the unoccupied band structure in the vicinity of the Fermi level. The relevance of this statement is illustrated by a detailed analysis of plasmon dispersions in quasi-one-dimensional systems combining experimental electron energy loss spectroscopy with quantitative density-functional theory (DFT) calculations. Si(557)-Au and Si(335)-Au with single atomic chains per terrace are compared with the Si(775)-Au system, which has a double Au chain on each terrace. We demonstrate that both hybridization between Si surface states and the Au chains as well as electronic correlations lead to increasing deviations from the nearly free electron picture that is suggested by a too simple interpretation of data of angular resolved photoemission (ARPES) of these systems, particularly for the double chain system. These deviations are consistently predicted by the DFT calculations. Thus also dimensional crossover can be explained.

Effects of lung disease on the three-dimensional structure and air flow pattern in the human airway tree

NASA Astrophysics Data System (ADS)

van de Moortele, Tristan; Nemes, Andras; Wendt, Christine; Coletti, Filippo

2016-11-01

The morphological features of the airway tree directly affect the air flow features during breathing, which determines the gas exchange and inhaled particle transport. Lung disease, Chronic Obstructive Pulmonary Disease (COPD) in this study, affects the structural features of the lungs, which in turn negatively affects the air flow through the airways. Here bronchial tree air volume geometries are segmented from Computed Tomography (CT) scans of healthy and diseased subjects. Geometrical analysis of the airway centerlines and corresponding cross-sectional areas provide insight into the specific effects of COPD on the airway structure. These geometries are also used to 3D print anatomically accurate, patient specific flow models. Three-component, three-dimensional velocity fields within these models are acquired using Magnetic Resonance Imaging (MRI). The three-dimensional flow fields provide insight into the change in flow patterns and features. Additionally, particle trajectories are determined using the velocity fields, to identify the fate of therapeutic and harmful inhaled aerosols. Correlation between disease-specific and patient-specific anatomical features with dysfunctional airflow patterns can be achieved by combining geometrical and flow analysis.

Local structure and lattice dynamics study of low dimensional materials using atomic pair distribution function and high energy resolution inelastic x-ray scattering

NASA Astrophysics Data System (ADS)

Shi, Chenyang

Structure and dynamics lie at the heart of the materials science. A detailed knowledge of both subjects would be foundational in understanding the materials' properties and predicting their potential applications. However, the task becomes increasingly dicult as the particle size is reduced to the nanometer scale. For nanostructured materials their laboratory x-ray scattering patterns are overlapped and broadened, making structure determination impossible. Atomic pair distribution function technique based on either synchrotron x-ray or neutron scattering data is known as the tool of choice for probing local structures. However, to solve the "structure problem" in low-dimensional materials with PDF is still challenging. For example for 2D materials of interest in this thesis the crystallographic modeling approach often yields unphysical thermal factors along stacking direction where new chemical intuitions about their actual structures and new modeling methodology/program are needed. Beyond this, lattice dynamical investigations on nanosized particles are extremely dicult. Laboratory tools such as Raman and infra-red only probe phonons at Brillouin zone center. Although in literature there are a great number of theoretical studies of their vibrational properties based on either empirical force elds or density functional theory, various approximations made in theories make the theoretical predictions less reliable. Also, there lacks the direct experiment result to validate the theory against. In this thesis, we studied the structure and dynamics of a wide variety of technologically relevant low-dimensional materials through synchrotron based x-ray PDF and high energy resolution inelastic x-ray scattering (HERIX) techniques. By collecting PDF data and employing advanced modeling program such as DiPy-CMI, we successfully determined the atomic structures of (i) emerging Ti3C2, Nb4C3 MXenes (transition metal carbides and/or nitrides) that are promising for energy storage applications, and of (ii) zirconium phenylphosphonate ion exchange materials that are proposed to separate lanthanide ions from actinide ions in nuclear waste. Both material systems have two-dimensional layered nanocrystalline structure where we observed that the stacking of layers are not in good registry, also known as turbostratic" disorder. Consequently the signals from a single layer of atoms dominate the experimental PDF{thus building up a single slab model and simulating PDF using Debye function analysis was sucient to capture the main structural features in the measured PDF data. The information on correlation length of layers along the stacking direction, however, is contained in low-Q diraction peaks in either laboratory x-ray or synchrotron x-ray scattering patterns. On the lattice dynamics side, we rst investigated the trend of atomic bonding strength in size dependent platinum nanoparticles based on temperature dependent PDF data and measured Debye temperatures. An anomalous bond softening was observed at a particle size less than 2 nm. Since Debye model gives a simple quadratic phonon density of states (PDOS) curve, which is a simplified version of real lattice dynamics, we are motivated to measure full PDOS curves on three CdSe nanoclusters by using non-resonant inelastic x-ray scattering technique. We observed an overall blue-shift of PDOS curves with decreased sizes. Our current exemplary studies will open the door to a large number of future structural and lattice dynamical studies on a much broader range of low-dimensional material systems.

Application of a laser scanner to three dimensional visual sensing tasks

NASA Technical Reports Server (NTRS)

Ryan, Arthur M.

1992-01-01

The issues are described which are associated with using a laser scanner for visual sensing and the methods developed by the author to address them. A laser scanner is a device that controls the direction of a laser beam by deflecting it through a pair of orthogonal mirrors, the orientations of which are specified by a computer. If a calibrated laser scanner is combined with a calibrated camera, it is possible to perform three dimensional sensing by directing the laser at objects within the field of view of the camera. There are several issues associated with using a laser scanner for three dimensional visual sensing that must be addressed in order to use the laser scanner effectively. First, methods are needed to calibrate the laser scanner and estimate three dimensional points. Second, methods to estimate three dimensional points using a calibrated camera and laser scanner are required. Third, methods are required for locating the laser spot in a cluttered image. Fourth, mathematical models that predict the laser scanner's performance and provide structure for three dimensional data points are necessary. Several methods were developed to address each of these and has evaluated them to determine how and when they should be applied. The theoretical development, implementation, and results when used in a dual arm eighteen degree of freedom robotic system for space assembly is described.

Phosphoinositide 3-kinase (PI3K(p110alpha)) directly regulates key components of the Z-disc and cardiac structure.

PubMed

Waardenberg, Ashley J; Bernardo, Bianca C; Ng, Dominic C H; Shepherd, Peter R; Cemerlang, Nelly; Sbroggiò, Mauro; Wells, Christine A; Dalrymple, Brian P; Brancaccio, Mara; Lin, Ruby C Y; McMullen, Julie R

2011-09-02

Maintenance of cardiac structure and Z-disc signaling are key factors responsible for protecting the heart in a setting of stress, but how these processes are regulated is not well defined. We recently demonstrated that PI3K(p110α) protects the heart against myocardial infarction. The aim of this study was to determine whether PI3K(p110α) directly regulates components of the Z-disc and cardiac structure. To address this question, a unique three-dimensional virtual muscle model was applied to gene expression data from transgenic mice with increased or decreased PI3K(p110α) activity under basal conditions (sham) and in a setting of myocardial infarction to display the location of structural proteins. Key findings from this analysis were then validated experimentally. The three-dimensional virtual muscle model visually highlighted reciprocally regulated transcripts associated with PI3K activation that encoded key components of the Z-disc and costamere, including melusin. Studies were performed to assess whether PI3K and melusin interact in the heart. Here, we identify a novel melusin-PI3K interaction that generates lipid kinase activity. The direct impact of PI3K(p110α) on myocyte structure was assessed by treating neonatal rat ventricular myocytes with PI3K(p110α) inhibitors and examining the myofiber morphology of hearts from PI3K transgenic mice. Results demonstrate that PI3K is critical for myofiber maturation and Z-disc alignment. In summary, PI3K regulates the expression of genes essential for cardiac structure and Z-disc signaling, interacts with melusin, and is critical for Z-disc alignment.

Phosphoinositide 3-Kinase (PI3K(p110α)) Directly Regulates Key Components of the Z-disc and Cardiac Structure*

PubMed Central

Waardenberg, Ashley J.; Bernardo, Bianca C.; Ng, Dominic C. H.; Shepherd, Peter R.; Cemerlang, Nelly; Sbroggiò, Mauro; Wells, Christine A.; Dalrymple, Brian P.; Brancaccio, Mara; Lin, Ruby C. Y.; McMullen, Julie R.

2011-01-01

Maintenance of cardiac structure and Z-disc signaling are key factors responsible for protecting the heart in a setting of stress, but how these processes are regulated is not well defined. We recently demonstrated that PI3K(p110α) protects the heart against myocardial infarction. The aim of this study was to determine whether PI3K(p110α) directly regulates components of the Z-disc and cardiac structure. To address this question, a unique three-dimensional virtual muscle model was applied to gene expression data from transgenic mice with increased or decreased PI3K(p110α) activity under basal conditions (sham) and in a setting of myocardial infarction to display the location of structural proteins. Key findings from this analysis were then validated experimentally. The three-dimensional virtual muscle model visually highlighted reciprocally regulated transcripts associated with PI3K activation that encoded key components of the Z-disc and costamere, including melusin. Studies were performed to assess whether PI3K and melusin interact in the heart. Here, we identify a novel melusin-PI3K interaction that generates lipid kinase activity. The direct impact of PI3K(p110α) on myocyte structure was assessed by treating neonatal rat ventricular myocytes with PI3K(p110α) inhibitors and examining the myofiber morphology of hearts from PI3K transgenic mice. Results demonstrate that PI3K is critical for myofiber maturation and Z-disc alignment. In summary, PI3K regulates the expression of genes essential for cardiac structure and Z-disc signaling, interacts with melusin, and is critical for Z-disc alignment. PMID:21757757

Three-Dimensional Structure Analysis and Percolation Properties of a Barrier Marine Coating

PubMed Central

Chen, Bo; Guizar-Sicairos, Manuel; Xiong, Gang; Shemilt, Laura; Diaz, Ana; Nutter, John; Burdet, Nicolas; Huo, Suguo; Mancuso, Joel; Monteith, Alexander; Vergeer, Frank; Burgess, Andrew; Robinson, Ian

2013-01-01

Artificially structured coatings are widely employed to minimize materials deterioration and corrosion, the annual direct cost of which is over 3% of the gross domestic product (GDP) for industrial countries. Manufacturing higher performance anticorrosive coatings is one of the most efficient approaches to reduce this loss. However, three-dimensional (3D) structure of coatings, which determines their performance, has not been investigated in detail. Here we present a quantitative nano-scale analysis of the 3D spatial structure of an anticorrosive aluminium epoxy barrier marine coating obtained by serial block-face scanning electron microscopy (SBFSEM) and ptychographic X-ray computed tomography (PXCT). We then use finite element simulations to demonstrate how percolation through this actual 3D structure impedes ion diffusion in the composite materials. We found the aluminium flakes align within 15° of the coating surface in the material, causing the perpendicular diffusion resistance of the coating to be substantially higher than the pure epoxy. PMID:23378910

Three-dimensional silicon inverse photonic quasicrystals for infrared wavelengths.

PubMed

Ledermann, Alexandra; Cademartiri, Ludovico; Hermatschweiler, Martin; Toninelli, Costanza; Ozin, Geoffrey A; Wiersma, Diederik S; Wegener, Martin; von Freymann, Georg

2006-12-01

Quasicrystals are a class of lattices characterized by a lack of translational symmetry. Nevertheless, the points of the lattice are deterministically arranged, obeying rotational symmetry. Thus, we expect properties that are different from both crystals and glasses. Indeed, naturally occurring electronic quasicrystals (for example, AlPdMn metal alloys) show peculiar electronic, vibrational and physico-chemical properties. Regarding artificial quasicrystals for electromagnetic waves, three-dimensional (3D) structures have recently been realized at GHz frequencies and 2D structures have been reported for the near-infrared region. Here, we report on the first fabrication and characterization of 3D quasicrystals for infrared frequencies. Using direct laser writing combined with a silicon inversion procedure, we achieve high-quality silicon inverse icosahedral structures. Both polymeric and silicon quasicrystals are characterized by means of electron microscopy and visible-light Laue diffraction. The diffraction patterns of structures with a local five-fold real-space symmetry axis reveal a ten-fold symmetry as required by theory for 3D structures.

Crystal structures of N-(3-fluoro-benzo-yl)benzene-sulfonamide and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide.

PubMed

Suchetan, P A; Naveen, S; Lokanath, N K; Lakshmikantha, H N; Srivishnu, K S; Supriya, G M

2016-04-01

The crystal structures of two N-(aryl-sulfon-yl)aryl-amides, namely N-(3-fluoro-benzo-yl)benzene-sulfonamide, C13H10FNO3S, (I), and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide, C14H12FNO3S, (II), are described and compared with related structures. The dihedral angle between the benzene rings is 82.73 (10)° in (I) compared to 72.60 (12)° in (II). In the crystal of (I), the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions, resulting in a three-dimensional grid-like architecture, while C-H⋯O inter-actions lead to one-dimensional ribbons in (II). The crystals of both (I) and (II) feature strong but non-structure-directing N-H⋯O hydrogen bonds with R 2 (2)(8) ring motifs. The structure of (I) also features π-π stacking inter-actions.

Unified control/structure design and modeling research

NASA Technical Reports Server (NTRS)

Mingori, D. L.; Gibson, J. S.; Blelloch, P. A.; Adamian, A.

1986-01-01

To demonstrate the applicability of the control theory for distributed systems to large flexible space structures, research was focused on a model of a space antenna which consists of a rigid hub, flexible ribs, and a mesh reflecting surface. The space antenna model used is discussed along with the finite element approximation of the distributed model. The basic control problem is to design an optimal or near-optimal compensator to suppress the linear vibrations and rigid-body displacements of the structure. The application of an infinite dimensional Linear Quadratic Gaussian (LQG) control theory to flexible structure is discussed. Two basic approaches for robustness enhancement were investigated: loop transfer recovery and sensitivity optimization. A third approach synthesized from elements of these two basic approaches is currently under development. The control driven finite element approximation of flexible structures is discussed. Three sets of finite element basic vectors for computing functional control gains are compared. The possibility of constructing a finite element scheme to approximate the infinite dimensional Hamiltonian system directly, instead of indirectly is discussed.

Structure of a Clostridium botulinum C143S thiaminase I/thiamin complex reveals active site architecture .

PubMed

Sikowitz, Megan D; Shome, Brateen; Zhang, Yang; Begley, Tadhg P; Ealick, Steven E

2013-11-05

Thiaminases are responsible for the degradation of thiamin and its metabolites. Two classes of thiaminases have been identified based on their three-dimensional structures and their requirements for a nucleophilic second substrate. Although the reactions of several thiaminases have been characterized, the physiological role of thiamin degradation is not fully understood. We have determined the three-dimensional X-ray structure of an inactive C143S mutant of Clostridium botulinum (Cb) thiaminase I with bound thiamin at 2.2 Å resolution. The C143S/thiamin complex provides atomic level details of the orientation of thiamin upon binding to Cb-thiaminase I and the identity of active site residues involved in substrate binding and catalysis. The specific roles of active site residues were probed by using site directed mutagenesis and kinetic analyses, leading to a detailed mechanism for Cb-thiaminase I. The structure of Cb-thiaminase I is also compared to the functionally similar but structurally distinct thiaminase II.

Aspects of three-dimensional strain at the margin of the extensional orogen, Virgin River depression area, Nevada, Utah, and Arizona

USGS Publications Warehouse

Anderson, R.E.; Barnhard, T.P.

1993-01-01

The Virgin River depression and surrounding mountains are Neogene features that are partly contiguous with the little-strained rocks of the structural transition to the Colorado Plateau province. This contiguity makes the area ideally suited for evaluating the sense, magnitude, and kinematics of Neogene deformation. Analysis along the strain boundary shows that, compared to the adjacent little-strained area, large-magnitude vertical deformation greatly exceeds extensional deformation and that significant amounts of lateral displacement approximately parallel the province boundary. Isostatic rebound following tectonic denudation is an unlikely direct cause of the strong vertical structural relief adjacent to the strain boundary. Instead, the observed structures are first-order features defining a three-dimensional strain field produced by approximately east-west extension, vertical structural attenuation, and extension-normal shortening. All major structural elements of the strain-boundary strain field are also found in the adjacent Basin and Range. -from Authors

An efficient three-dimensional Poisson solver for SIMD high-performance-computing architectures

NASA Technical Reports Server (NTRS)

Cohl, H.

1994-01-01

We present an algorithm that solves the three-dimensional Poisson equation on a cylindrical grid. The technique uses a finite-difference scheme with operator splitting. This splitting maps the banded structure of the operator matrix into a two-dimensional set of tridiagonal matrices, which are then solved in parallel. Our algorithm couples FFT techniques with the well-known ADI (Alternating Direction Implicit) method for solving Elliptic PDE's, and the implementation is extremely well suited for a massively parallel environment like the SIMD architecture of the MasPar MP-1. Due to the highly recursive nature of our problem, we believe that our method is highly efficient, as it avoids excessive interprocessor communication.

Two-dimensional integrating matrices on rectangular grids. [solving differential equations associated with rotating structures

NASA Technical Reports Server (NTRS)

Lakin, W. D.

1981-01-01

The use of integrating matrices in solving differential equations associated with rotating beam configurations is examined. In vibration problems, by expressing the equations of motion of the beam in matrix notation, utilizing the integrating matrix as an operator, and applying the boundary conditions, the spatial dependence is removed from the governing partial differential equations and the resulting ordinary differential equations can be cast into standard eigenvalue form. Integrating matrices are derived based on two dimensional rectangular grids with arbitrary grid spacings allowed in one direction. The derivation of higher dimensional integrating matrices is the initial step in the generalization of the integrating matrix methodology to vibration and stability problems involving plates and shells.

Dimensionality reduction of collective motion by principal manifolds

NASA Astrophysics Data System (ADS)

Gajamannage, Kelum; Butail, Sachit; Porfiri, Maurizio; Bollt, Erik M.

2015-01-01

While the existence of low-dimensional embedding manifolds has been shown in patterns of collective motion, the current battery of nonlinear dimensionality reduction methods is not amenable to the analysis of such manifolds. This is mainly due to the necessary spectral decomposition step, which limits control over the mapping from the original high-dimensional space to the embedding space. Here, we propose an alternative approach that demands a two-dimensional embedding which topologically summarizes the high-dimensional data. In this sense, our approach is closely related to the construction of one-dimensional principal curves that minimize orthogonal error to data points subject to smoothness constraints. Specifically, we construct a two-dimensional principal manifold directly in the high-dimensional space using cubic smoothing splines, and define the embedding coordinates in terms of geodesic distances. Thus, the mapping from the high-dimensional data to the manifold is defined in terms of local coordinates. Through representative examples, we show that compared to existing nonlinear dimensionality reduction methods, the principal manifold retains the original structure even in noisy and sparse datasets. The principal manifold finding algorithm is applied to configurations obtained from a dynamical system of multiple agents simulating a complex maneuver called predator mobbing, and the resulting two-dimensional embedding is compared with that of a well-established nonlinear dimensionality reduction method.

Three-dimensional thermocapillary flow regimes with evaporation

NASA Astrophysics Data System (ADS)

Bekezhanova, V. B.; Goncharova, O. N.

2017-10-01

A three-dimensional problem of evaporative convection in a system of the immiscible media with a common thermocapillary interface is studied. New exact solution, which is a generalization of the Ostroumov - Birikh solution of the Navier - Stokes equations in the Oberbeck - Boussinesq approximation, is presented in order to describe the joint flows of the liquid and gas - vapor mixture in an infinite channel with a rectangular cross-section. The motion occurs in the bulk force field under action of a constant longitudinal temperature gradient. The velocity components depend only on the transverse coordinates. The functions of pressure, temperature and concentration of vapor in the gas are characterized by the linear dependence on the longitudinal coordinate. In the framework of the problem statement, which takes into account diffusive mass flux through the interface and zero vapor flux at the upper boundary of the channel, the influence of the gravity and intensity of the thermal action on flow structure is studied. The original three-dimensional problem is reduced to a chain of two-dimensional problems which are solved numerically with help of modification of the method of alternating directions. Arising flows can be characterized as a translational-rotational motion, under that the symmetrical double, quadruple or sextuple vortex structures are formed. Quantity, shape and structure of the vortexes also depend on properties of the working media.

Manipulating the one-dimensional topological edge state of Bi bilayer nanoribbons via magnetic orientation and electric field

NASA Astrophysics Data System (ADS)

Kim, Jeongwoo; Wu, Ruqian

2018-03-01

Despite the superiority of two-dimensional (2D) topological insulators (TIs) over their three-dimensional (3D) counterparts in various aspects and the essential distinction between them in structural symmetry, the variation of the topological one-dimensional (1D) edge states upon magnetic interaction and their application for spintronic devices have not been sufficiently illuminated. Here, we reveal that 1D edge states of 2D TIs have a unique magnetic response never observed in 2D surface states of 3D TIs, and using this exotic nature we propose a way to utilize the spin-polarized channel for spintronic applications. We investigate the effects of width and magnetic decoration on the 1D topological edge state of Bi bilayer nanoribbons (BNRs). Through the Zak phase, we find that the zero-energy states are enforced at the magnetic domain boundaries in the Cr-decorated BNR and directly examine their robustness using short-range magnetic domain structures. We also demonstrate that 1D edge states of BNRs can be selectively and reversibly controlled by the combination of magnetic reorientation and electric field without compromising their structural integrity. Our work provides a fundamental understanding of 1D topological edge states and shows the opportunity of using these features in spintronic devices.

Three Dimensional Optical Metamaterials via Direct Laser Writing

DTIC Science & Technology

2013-03-01

can be derived from a face-centered-cubic (fcc) unit cell with a basis of two rods. b. Silver- coated woodpile structures with a period of 600 nm...described earlier. 4 It has been produced by the addition of zirconium propoxide (ZPO, 70% in propanol) to methacryloxypropyl trimethoxysilane (MAPTMS...structures, he materials investigation, synthesis and metallization protocols employed have been described in detail previously in 4-5. The silver- coated

Bayesian nonlinear structural FE model and seismic input identification for damage assessment of civil structures

NASA Astrophysics Data System (ADS)

Astroza, Rodrigo; Ebrahimian, Hamed; Li, Yong; Conte, Joel P.

2017-09-01

A methodology is proposed to update mechanics-based nonlinear finite element (FE) models of civil structures subjected to unknown input excitation. The approach allows to jointly estimate unknown time-invariant model parameters of a nonlinear FE model of the structure and the unknown time histories of input excitations using spatially-sparse output response measurements recorded during an earthquake event. The unscented Kalman filter, which circumvents the computation of FE response sensitivities with respect to the unknown model parameters and unknown input excitations by using a deterministic sampling approach, is employed as the estimation tool. The use of measurement data obtained from arrays of heterogeneous sensors, including accelerometers, displacement sensors, and strain gauges is investigated. Based on the estimated FE model parameters and input excitations, the updated nonlinear FE model can be interrogated to detect, localize, classify, and assess damage in the structure. Numerically simulated response data of a three-dimensional 4-story 2-by-1 bay steel frame structure with six unknown model parameters subjected to unknown bi-directional horizontal seismic excitation, and a three-dimensional 5-story 2-by-1 bay reinforced concrete frame structure with nine unknown model parameters subjected to unknown bi-directional horizontal seismic excitation are used to illustrate and validate the proposed methodology. The results of the validation studies show the excellent performance and robustness of the proposed algorithm to jointly estimate unknown FE model parameters and unknown input excitations.

WSJointInv2D-MT-DCR: An efficient joint two-dimensional magnetotelluric and direct current resistivity inversion

NASA Astrophysics Data System (ADS)

Amatyakul, Puwis; Vachiratienchai, Chatchai; Siripunvaraporn, Weerachai

2017-05-01

An efficient joint two-dimensional direct current resistivity (DCR) and magnetotelluric (MT) inversion, referred to as WSJointInv2D-MT-DCR, was developed with FORTRAN 95 based on the data space Occam's inversion algorithm. Our joint inversion software can be used to invert just the MT data or the DCR data, or invert both data sets simultaneously to get the electrical resistivity structures. Since both MT and DCR surveys yield the same resistivity structures, the two data types enhance each other leading to a better interpretation. Two synthetic and a real field survey are used here to demonstrate that the joint DCR and MT surveys can help constrain each other to reduce the ambiguities occurring when inverting the DCR or MT alone. The DCR data increases the lateral resolution of the near surface structures while the MT data reveals the deeper structures. When the MT apparent resistivity suffers from the static shift, the DCR apparent resistivity can serve as a replacement for the estimation of the static shift factor using the joint inversion. In addition, we also used these examples to show the efficiency of our joint inversion code. With the availability of our new joint inversion software, we expect the number of joint DCR and MT surveys to increase in the future.

Origin of coloration in beetle scales: An optical and structural investigation

NASA Astrophysics Data System (ADS)

Nagi, Ramneet Kaur

In this thesis the origin of angle-independent yellowish-green coloration of the exoskeleton of a beetle was studied. The beetle chosen was a weevil with the Latin name Eupholus chevrolati. The origin of this weevil's coloration was investigated by optical and structural characterization techniques, including optical microscopy, scanning electron microscopy imaging and focused ion beam milling, combined with three-dimensional modeling and photonic band structure calculations. Furthermore, using color theory the pixel-like coloring of the weevil's exoskeleton was investigated and an interesting additive color mixing scheme was discovered. For optical studies, a microreflectance microscopy/spectroscopy set-up was optimized. This set-up allowed not only for imaging of individual colored exoskeleton domains with sizes ˜2-10 μm, but also for obtaining reflection spectra of these micrometer-sized domains. Spectra were analyzed in terms of reflection intensity and wavelength position and shape of the reflection features. To find the origin of these colored exoskeleton spots, a combination of focused ion beam milling and scanning electron microscopy imaging was employed. A three-dimensional photonic crystal in the form of a face-centered cubic lattice of ABC-stacked air cylinders in a biopolymeric cuticle matrix was discovered. Our photonic band structure calculations revealed the existence of different sets of stop-gaps for the lattice constant of 360, 380 and 400 nm in the main lattice directions, Gamma-L, Gamma-X, Gamma-U, Gamma-W and Gamma-K. In addition, scanning electron microscopy images were compared to the specific directional-cuts through the constructed face-centered cubic lattice-based model and the optical micrographs of individual domains to determine the photonic structure corresponding to the different lattice directions. The three-dimensional model revealed stop-gaps in the Gamma-L, Gamma-W and Gamma-K directions. Finally, the coloration of the weevil as perceived by an unaided human eye was represented (mathematically) on the xy-chromaticity diagram, based on XYZ color space developed by CIE (Commission Internationale de l'Eclairage), using the micro-reflectance spectroscopy measurements. The results confirmed the additive mixing of various colors produced by differently oriented photonic crystal domains present in the weevil's exoskeleton scales, as a reason for the angle-independent dull yellowish-green coloration of the weevil E. chevrolati.

Directional Solidification of a Binary Alloy into a Cellular Convective Flow: Localized Morphologies

NASA Technical Reports Server (NTRS)

Chen, Y.- J.; Davis, S. H.

1999-01-01

A steady, two dimensional cellular convection modifies the morphological instability of a binary alloy that undergoes directional solidification. When the convection wavelength is far longer than that of the morphological cells, the behavior of the moving front is described by a slow, spatial-temporal dynamics obtained through a multiple-scale analysis. The resulting system has a "parametric-excitation" structure in space, with complex parameters characterizing the interactions between flow, solute diffusion, and rejection. The convection stabilizes two dimensional disturbances oriented with the flow, but destabilizes three dimensional disturbances in general. When the flow is weak, the morphological instability behaves incommensurably to the flow wavelength, but becomes quantized and forced to fit into the flow-box as the flow gets stronger. At large flow magnitudes the instability is localized, confined in narrow envelopes with cells traveling with the flow. In this case the solutions are discrete eigenstates in an unbounded space. Their stability boundary and asymptotics are obtained by the WKB analysis.

Two-Axis Direct Fluid Shear Stress Sensor for Aerodynamic Applications

NASA Technical Reports Server (NTRS)

Bajikar, Sateesh S.; Scott, Michael A.; Adcock, Edward E.

2011-01-01

This miniature or micro-sized semiconductor sensor design provides direct, nonintrusive measurement of skin friction or wall shear stress in fluid flow situations in a two-axis configuration. The sensor is fabricated by microelectromechanical system (MEMS) technology, enabling small size and multiple, low-cost reproductions. The sensors may be fabricated by bonding a sensing element wafer to a fluid-coupling element wafer. Using this layered machine structure provides a truly three-dimensional device.

Rayleigh-Bloch waves trapped by a periodic perturbation: exact solutions

NASA Astrophysics Data System (ADS)

Merzon, A.; Zhevandrov, P.; Romero Rodríguez, M. I.; De la Paz Méndez, J. E.

2018-06-01

Exact solutions describing the Rayleigh-Bloch waves for the two-dimensional Helmholtz equation are constructed in the case when the refractive index is a sum of a constant and a small amplitude function which is periodic in one direction and of finite support in the other. These solutions are quasiperiodic along the structure and exponentially decay in the orthogonal direction. A simple formula for the dispersion relation of these waves is obtained.

Preparation of Tunable 3D Pillared Carbon Nanotube-Graphene Networks for High-Performance Capacitance

DTIC Science & Technology

2011-01-01

nanotubes ( CNTs ) and two-dimensional (2D) single-atomic layer graphene, have been demonstrated to show superior thermal, electrical, and mechanical...and the much weaker van der Waals interaction in the transverse direction between the layers, how- ever, CNTs and graphene exhibit strong direction...structure are governed by the minimum interpillar distance (MIPD) and the CNT -pillar length (PL) (Figure 1a). Some successes in fabricating randomly

Instantaneous three-dimensional visualization of concentration distributions in turbulent flows with crossed-plane laser-induced fluorescence imaging

NASA Astrophysics Data System (ADS)

Hoffmann, A.; Zimmermann, F.; Scharr, H.; Krömker, S.; Schulz, C.

2005-01-01

A laser-based technique for measuring instantaneous three-dimensional species concentration distributions in turbulent flows is presented. The laser beam from a single laser is formed into two crossed light sheets that illuminate the area of interest. The laser-induced fluorescence (LIF) signal emitted from excited species within both planes is detected with a single camera via a mirror arrangement. Image processing enables the reconstruction of the three-dimensional data set in close proximity to the cutting line of the two light sheets. Three-dimensional intensity gradients are computed and compared to the two-dimensional projections obtained from the two directly observed planes. Volume visualization by digital image processing gives unique insight into the three-dimensional structures within the turbulent processes. We apply this technique to measurements of toluene-LIF in a turbulent, non-reactive mixing process of toluene and air and to hydroxyl (OH) LIF in a turbulent methane-air flame upon excitation at 248 nm with a tunable KrF excimer laser.

Four-dimensional optical coherence tomography imaging of total liquid ventilated rats

NASA Astrophysics Data System (ADS)

Kirsten, Lars; Schnabel, Christian; Gaertner, Maria; Koch, Edmund

2013-06-01

Optical coherence tomography (OCT) can be utilized for the spatially and temporally resolved visualization of alveolar tissue and its dynamics in rodent models, which allows the investigation of lung dynamics on the microscopic scale of single alveoli. The findings could provide experimental input data for numerical simulations of lung tissue mechanics and could support the development of protective ventilation strategies. Real four-dimensional OCT imaging permits the acquisition of several OCT stacks within one single ventilation cycle. Thus, the entire four-dimensional information is directly obtained. Compared to conventional virtual four-dimensional OCT imaging, where the image acquisition is extended over many ventilation cycles and is triggered on pressure levels, real four-dimensional OCT is less vulnerable against motion artifacts and non-reproducible movement of the lung tissue over subsequent ventilation cycles, which widely reduces image artifacts. However, OCT imaging of alveolar tissue is affected by refraction and total internal reflection at air-tissue interfaces. Thus, only the first alveolar layer beneath the pleura is visible. To circumvent this effect, total liquid ventilation can be carried out to match the refractive indices of lung tissue and the breathing medium, which improves the visibility of the alveolar structure, the image quality and the penetration depth and provides the real structure of the alveolar tissue. In this study, a combination of four-dimensional OCT imaging with total liquid ventilation allowed the visualization of the alveolar structure in rat lung tissue benefiting from the improved depth range beneath the pleura and from the high spatial and temporal resolution.

Electronic Structure, Surface Doping, and Optical Response in Epitaxial WSe2 Thin Films.

PubMed

Zhang, Yi; Ugeda, Miguel M; Jin, Chenhao; Shi, Su-Fei; Bradley, Aaron J; Martín-Recio, Ana; Ryu, Hyejin; Kim, Jonghwan; Tang, Shujie; Kim, Yeongkwan; Zhou, Bo; Hwang, Choongyu; Chen, Yulin; Wang, Feng; Crommie, Michael F; Hussain, Zahid; Shen, Zhi-Xun; Mo, Sung-Kwan

2016-04-13

High quality WSe2 films have been grown on bilayer graphene (BLG) with layer-by-layer control of thickness using molecular beam epitaxy. The combination of angle-resolved photoemission, scanning tunneling microscopy/spectroscopy, and optical absorption measurements reveal the atomic and electronic structures evolution and optical response of WSe2/BLG. We observe that a bilayer of WSe2 is a direct bandgap semiconductor, when integrated in a BLG-based heterostructure, thus shifting the direct-indirect band gap crossover to trilayer WSe2. In the monolayer limit, WSe2 shows a spin-splitting of 475 meV in the valence band at the K point, the largest value observed among all the MX2 (M = Mo, W; X = S, Se) materials. The exciton binding energy of monolayer-WSe2/BLG is found to be 0.21 eV, a value that is orders of magnitude larger than that of conventional three-dimensional semiconductors, yet small as compared to other two-dimensional transition metal dichalcogennides (TMDCs) semiconductors. Finally, our finding regarding the overall modification of the electronic structure by an alkali metal surface electron doping opens a route to further control the electronic properties of TMDCs.

Energy exchange properties during second-harmonic generation in finite one-dimensional photonic band-gap structures with deep gratings.

PubMed

D'Aguanno, Giuseppe; Centini, Marco; Scalora, Michael; Sibilia, Concita; Bertolotti, Mario; Bloemer, Mark J; Bowden, Charles M

2003-01-01

We study second-harmonic generation in finite, one-dimensional, photonic band-gap structures with large index contrast in the regime of pump depletion and global phase-matching conditions. We report a number of surprising results: above a certain input intensity, field dynamics resemble a multiwave mixing process, where backward and forward components compete for the available energy; the pump field is mostly reflected, revealing a type of optical limiting behavior; and second-harmonic generation becomes balanced in both directions, showing unusual saturation effects with increasing pump intensity. This dynamics was unexpected, and it is bound to influence the way one goes about thinking and designing nonlinear frequency conversion devices in a practical way.

Acoustic metacages for sound shielding with steady air flow

NASA Astrophysics Data System (ADS)

Shen, Chen; Xie, Yangbo; Li, Junfei; Cummer, Steven A.; Jing, Yun

2018-03-01

Conventional sound shielding structures typically prevent fluid transport between the exterior and interior. A design of a two-dimensional acoustic metacage with subwavelength thickness which can shield acoustic waves from all directions while allowing steady fluid flow is presented in this paper. The structure is designed based on acoustic gradient-index metasurfaces composed of open channels and shunted Helmholtz resonators. In-plane sound at an arbitrary angle of incidence is reflected due to the strong parallel momentum on the metacage surface, which leads to low sound transmission through the metacage. The performance of the proposed metacage is verified by numerical simulations and measurements on a three-dimensional printed prototype. The acoustic metacage has potential applications in sound insulation where steady fluid flow is necessary or advantageous.

Fabrication and Structural Characterization of an Ultrathin Film of a Two-Dimensional-Layered Metal-Organic Framework, {Fe(py)2[Ni(CN)4]} (py = pyridine).

PubMed

Sakaida, Shun; Haraguchi, Tomoyuki; Otsubo, Kazuya; Sakata, Osami; Fujiwara, Akihiko; Kitagawa, Hiroshi

2017-07-17

We report the fabrication and characterization of the first example of a tetracyanonickelate-based two-dimensional-layered metal-organic framework, {Fe(py) 2 Ni(CN) 4 } (py = pyridine), thin film. To fabricate a nanometer-sized thin film, we utilized the layer-by-layer method, whereby a substrate was alternately soaked in solutions of the structural components. Surface X-ray studies revealed that the fabricated film was crystalline with well-controlled growth directions both parallel and perpendicular to the substrate. In addition, lattice parameter analysis indicated that the crystal system is found to be close to higher symmetry by being downsized to a thin film.

Biologically Inspired Synthesis Route to Three-Dimensionally Structured Inorganic Thin Films

DOE PAGES

Schwenzer, Birgit; Morse, Daniel E.

2008-01-01

Inorganic thin films (hydroxide, oxide, and phosphate materials) that are textured on a submicron scale have been prepared from aqueous metal salt solutions at room temperature using vapor-diffusion catalysis. This generic synthesis approach mimics the essential advantages of the catalytic and structure-directing mechanisms observed for the formation of silica skeletons of marine sponges. Chemical composition, crystallinity, and the three-dimensional morphology of films prepared by this method are extremely sensitive to changes in the synthesis conditions, such as concentrations, reaction times, and the presence and nature of substrate materials. Focusing on different materials systems, the reaction mechanism for the formation ofmore » these thin films and the influence of different reaction parameters on the product are explained.« less

In Situ Generation of Two-Dimensional Au–Pt Core–Shell Nanoparticle Assemblies

PubMed Central

2010-01-01

Two-dimensional assemblies of Au–Pt bimetallic nanoparticles are generated in situ on polyethyleneimmine (PEI) silane functionalized silicon and indium tin oxide (ITO) coated glass surfaces. Atomic force microscopy (AFM), UV–Visible spectroscopy, and electrochemical measurements reveal the formation of core–shell structure with Au as core and Pt as shell. The core–shell structure is further supported by comparing with the corresponding data of Au nanoparticle assemblies. Static contact angle measurements with water show an increase in hydrophilic character due to bimetallic nanoparticle generation on different surfaces. It is further observed that these Au–Pt core–shell bimetallic nanoparticle assemblies are catalytically active towards methanol electro-oxidation, which is the key reaction for direct methanol fuel cells (DMFCs). PMID:20651923

Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies

NASA Astrophysics Data System (ADS)

Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

2016-01-01

This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies.

PubMed

Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

2016-01-01

This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

DOE PAGES

Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; ...

2016-07-26

Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

Fabrication of three-dimensional millimeter-height structures using direct ultraviolet lithography on liquid-state photoresist for simple and fast manufacturing

NASA Astrophysics Data System (ADS)

Kim, Jungkwun; Yoon, Yong-Kyu

2015-07-01

A rapid three-dimensional (3-D) ultraviolet (UV) lithography process for the fabrication of millimeter-tall high aspect ratio complex structures is presented. The liquid-state negative-tone photosensitive polyurethane, LF55GN, has been directly photopatterned using multidirectionally projected UV light for 3-D micropattern formation. The proposed lithographic scheme enabled us to overcome the maximum height obtained with a photopatternable epoxy, SU8, which has been conventionally most commonly used for the fabrication of tall and high aspect ratio microstructures. Also, the fabrication process time has been significantly reduced by eliminating photoresist-baking steps. Computer-controlled multidirectional UV lithography has been employed to fabricate 3-D structures, where the UV-exposure substrate is dynamically tilt-rotating during UV exposure to create various 3-D ray traces in the polyurethane layer. LF55GN has been characterized to provide feasible fabrication conditions for the multidirectional UV lithography. Very tall structures including a 6-mm tall triangular slab and a 5-mm tall hexablaze have been successfully fabricated. A 4.5-mm tall air-lifted polymer-core bowtie monopole antenna, which is the tallest monopole structure fabricated by photolithography and subsequent metallization, has been successfully demonstrated. The antenna shows a resonant radiation frequency of 12.34 GHz, a return loss of 36 dB, and a 10 dB bandwidth of 7%.

Critical Intermediate Structure That Directs the Crystalline Texture and Surface Morphology of Organo-Lead Trihalide Perovskite.

PubMed

Chia, Hao-Chung; Sheu, Hwo-Shuenn; Hsiao, Yu-Yun; Li, Shao-Sian; Lan, Yi-Kang; Lin, Chung-Yao; Chang, Je-Wei; Kuo, Yen-Chien; Chen, Chia-Hao; Weng, Shih-Chang; Su, Chun-Jen; Su, An-Chung; Chen, Chun-Wei; Jeng, U-Ser

2017-10-25

We have identified an often observed yet unresolved intermediate structure in a popular processing with dimethylformamide solutions of lead chloride and methylammonium iodide for perovskite solar cells. With subsecond time-resolved grazing-incidence X-ray scattering and X-ray photoemission spectroscopy, supplemental with ab initio calculation, the resolved intermediate structure (CH 3 NH 3 ) 2 PbI 2 Cl 2 ·CH 3 NH 3 I features two-dimensional (2D) perovskite bilayers of zigzagged lead-halide octahedra and sandwiched CH 3 NH 3 I layers. Such intermediate structure reveals a hidden correlation between the intermediate phase and the composition of the processing solution. Most importantly, the 2D perovskite lattice of the intermediate phase is largely crystallographically aligned with the [110] planes of the three-dimensional perovskite cubic phase; consequently, with sublimation of Cl ions from the organo-lead octahedral terminal corners in prolonged annealing, the zigzagged octahedral layers of the intermediate phase can merge with the intercalated methylammonium iodide layers for templated growth of perovskite crystals. Regulated by annealing temperature and the activation energies of the intermediate and perovskite, deduced from analysis of temperature-dependent structural kinetics, the intermediate phase is found to selectively mature first and then melt along the layering direction for epitaxial conversion into perovskite crystals. The unveiled epitaxial conversion under growth kinetics controls might be general for solution-processed and intermediate-templated perovskite formation.

Directly reconstructing principal components of heterogeneous particles from cryo-EM images.

PubMed

Tagare, Hemant D; Kucukelbir, Alp; Sigworth, Fred J; Wang, Hongwei; Rao, Murali

2015-08-01

Structural heterogeneity of particles can be investigated by their three-dimensional principal components. This paper addresses the question of whether, and with what algorithm, the three-dimensional principal components can be directly recovered from cryo-EM images. The first part of the paper extends the Fourier slice theorem to covariance functions showing that the three-dimensional covariance, and hence the principal components, of a heterogeneous particle can indeed be recovered from two-dimensional cryo-EM images. The second part of the paper proposes a practical algorithm for reconstructing the principal components directly from cryo-EM images without the intermediate step of calculating covariances. This algorithm is based on maximizing the posterior likelihood using the Expectation-Maximization algorithm. The last part of the paper applies this algorithm to simulated data and to two real cryo-EM data sets: a data set of the 70S ribosome with and without Elongation Factor-G (EF-G), and a data set of the influenza virus RNA dependent RNA Polymerase (RdRP). The first principal component of the 70S ribosome data set reveals the expected conformational changes of the ribosome as the EF-G binds and unbinds. The first principal component of the RdRP data set reveals a conformational change in the two dimers of the RdRP. Copyright © 2015 Elsevier Inc. All rights reserved.

Virtual scanning tunneling microscopy: A local spectroscopic probe of two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Sciambi, A.; Pelliccione, M.; Bank, S. R.; Gossard, A. C.; Goldhaber-Gordon, D.

2010-09-01

We propose a probe technique capable of performing local low-temperature spectroscopy on a two-dimensional electron system (2DES) in a semiconductor heterostructure. Motivated by predicted spatially-structured electron phases, the probe uses a charged metal tip to induce electrons to tunnel locally, directly below the tip, from a "probe" 2DES to a "subject" 2DES of interest. We test this concept with large-area (nonscanning) tunneling measurements, and predict a high spatial resolution and spectroscopic capability, with minimal influence on the physics in the subject 2DES.

Geometry of the submanifolds of SEXn. II. The generalized fundamental equations for the hypersubmanifold of SEXn

NASA Astrophysics Data System (ADS)

Chung, Kyung Tae; Lee, Jong Woo

1989-08-01

A connection which is both Einstein and semisymmetric is called an SE connection, and a generalized n-dimensional Riemannian manifold on which the differential geometric structure is imposed by g λμ through an SE connection is called an n-dimensional SE manifold and denoted by SEXn. This paper is a direct continuation of earlier work. In this paper, we derive the generalized fundamental equations for the hypersubmanifold of SEXn, including generalized Gauss formulas, generalized Weingarten equations, and generalized Gauss-Codazzi equations.

Effective Mass Calculations for Two-dimensional Gas of Dipolar Fermions

NASA Astrophysics Data System (ADS)

Seydi, I.; Abedinpour, S. H.; Tanatar, B.

2017-06-01

We consider a two-dimensional system of ultracold dipolar fermions with dipole moments aligned in the perpendicular direction. We use the static structure factor information from Fermi-Hypernetted-Chain calculations to obtain the effective many-body dipole-dipole interaction and calculate the many-body effective mass of the system within the G0W approximation to the self-energy. A large cancellation between different contributions to the self-energy results in a weak dependence of the effective mass on the interaction strength over a large range of coupling constants.

Sub-nm 3D observation of human hair melanin by high-voltage STEM.

PubMed

Imai, Takehito; Higuchi, Kimitaka; Yamamoto, Yuta; Arai, Shigeo; Nakano, Takashi; Tanaka, Nobuo

2016-04-01

The ultrastructure of melanin granules in human hair was studied using 1,000 kV high-voltage scanning transmission electron microscopy to successfully reconstruct three-dimensional images of the whole melanin granule. It was revealed that the melanin granule was composed of a membrane-like outer structure that included many spherical vesicles, and an inner matrix containing a sheet-like structure in the elongated direction of the melanin granule and a sheet-like arrays structure in the cross direction. The outer structure of the melanin granule was maintained even after exposure to hair-bleaching agents to decompose the melanin granule, suggesting that the outer structure was a highly robust structure and composition compared with the inner matrix . © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Modeling Spatial Relationships within a Fuzzy Framework.

ERIC Educational Resources Information Center

Petry, Frederick E.; Cobb, Maria A.

1998-01-01

Presents a model for representing and storing binary topological and directional relationships between 2-dimensional objects that is used to provide a basis for fuzzy querying capabilities. A data structure called an abstract spatial graph (ASG) is defined for the binary relationships that maintains all necessary information regarding topology and…

Direct simulation of a self-similar plane wake

NASA Technical Reports Server (NTRS)

Moser, Robert D.; Rogers, Michael M.

1994-01-01

Direct simulations of two time-developing turbulent wakes have been performed. Initial conditions for the simulations were obtained from two realizations of a direct simulation of a turbulent boundary layer at momentum thickness Reynolds number 670. In addition, extra two dimensional disturbances were added in one of the cases to mimic two dimensional forcing. The unforced wake is allowed to evolve long enough to attain self similarity. The mass-flux Reynolds number (equivalent to the momentum thickness Reynolds number in spatially developing wakes) is 2000, which is high enough for a short k(exp -5/3) range to be evident in the streamwise one dimensional velocity spectrum. Several turbulence statistics have been computed by averaging in space and over the self-similar period in time. The growth rate in the unforced flow is low compared to experiments, but when this growth-rate difference is accounted for, the statistics of the unforced case are in reasonable agreement with experiments. However, the forced case is significantly different. The growth rate, turbulence Reynolds number, and turbulence intensities are as much as ten times larger in the forced case. In addition, the forced flow exhibits large-scale structures similar to those observed in transitional wakes, while the unforced flow does not.

Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

PubMed

Richings, Gareth W; Habershon, Scott

2017-09-12

We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

Contributions of numerical simulation data bases to the physics, modeling and measurement of turbulence

NASA Technical Reports Server (NTRS)

Moin, Parviz; Spalart, Philippe R.

1987-01-01

The use of simulation data bases for the examination of turbulent flows is an effective research tool. Studies of the structure of turbulence have been hampered by the limited number of probes and the impossibility of measuring all desired quantities. Also, flow visualization is confined to the observation of passive markers with limited field of view and contamination caused by time-history effects. Computer flow fields are a new resource for turbulence research, providing all the instantaneous flow variables in three-dimensional space. Simulation data bases also provide much-needed information for phenomenological turbulence modeling. Three dimensional velocity and pressure fields from direct simulations can be used to compute all the terms in the transport equations for the Reynolds stresses and the dissipation rate. However, only a few, geometrically simple flows have been computed by direct numerical simulation, and the inventory of simulation does not fully address the current modeling needs in complex turbulent flows. The availability of three-dimensional flow fields also poses challenges in developing new techniques for their analysis, techniques based on experimental methods, some of which are used here for the analysis of direct-simulation data bases in studies of the mechanics of turbulent flows.

Dimensionality Analysis and Geo-Electric Structure of Long-period Magnetotelluric Data, Southern Taiwan, TAIGER project

NASA Astrophysics Data System (ADS)

Chiang, C.; Chen, C.; Bertrand, E. A.; Unsworth, M. J.; Turkoglu, E.; Hsu, H.; Hill, G.

2007-12-01

The Taiwan orogen has formed as a result of the arc-continent collision between the Eurasian continental margin and the Luzon island arc over the last 3 million years. It is the type example of an arc-continent collision. In 2004, the Taiwan Integrated Geodynamical Research (TAIGER) project was formed and began a systematic investigation of the crustal and upper mantle structure beneath Taiwan. This included new magnetotelluric (MT) data collection to study the geo-electrical structure beneath Taiwan. High quality long period MT data has been collected through collaboration between National Central University, Taiwan, and the University of Alberta, Canada. In total, 82 long-period MT stations were deployed on 4 cross- island profiles in Taiwan with a remote reference station located on Penghu Island in the Taiwan Strait. The remote reference is ~50km from the main island of Taiwan and is used to reduce cultural noise effects in these data from the populated mainland. Dimensionality analysis from tensor decomposition has been performed on these data using the McNeice-Jones algorithm. The results of this analysis indicate that the electrical structures are two-dimensional with dominant strike directions N45° E, N37° E and N29 ° E in northern, central and southern Taiwan, respectively. As expected, these strike directions are essentially parallel to the regional geology. The decomposition parameters of shear, twist and anisotropy for these profiles are small, indicating the 2-D strike directions are well constrained. The dimensionality analysis presented implies that the generation of 2- D inversion models will be appropriate for these data. The results of 2-D inversion show that the collision boundary between the Eurasian and Philippine Sea Plates is beneath the central range in the southern profile. A low resistivity zone is located beneath the western foothills. At mid-crustal depth, a boundary is imaged between conductive western sedimentary rocks and the resistive metamorphic rocks to the east which form the main orogenic belts of the central ranges. This margin occurs near the trace of the Cauchow fault where there is evidence of a conductor rising to the surface. This conductor may be related to interconnected fluids and/or thermal effects in the mid crust. In this paper, the analysis of these data will be examined in detail and the tectonic implications discussed.

Angular reconstitution-based 3D reconstructions of nanomolecular structures from superresolution light-microscopy images

PubMed Central

Salas, Desirée; Le Gall, Antoine; Fiche, Jean-Bernard; Valeri, Alessandro; Ke, Yonggang; Bron, Patrick; Bellot, Gaetan

2017-01-01

Superresolution light microscopy allows the imaging of labeled supramolecular assemblies at a resolution surpassing the classical diffraction limit. A serious limitation of the superresolution approach is sample heterogeneity and the stochastic character of the labeling procedure. To increase the reproducibility and the resolution of the superresolution results, we apply multivariate statistical analysis methods and 3D reconstruction approaches originally developed for cryogenic electron microscopy of single particles. These methods allow for the reference-free 3D reconstruction of nanomolecular structures from two-dimensional superresolution projection images. Since these 2D projection images all show the structure in high-resolution directions of the optical microscope, the resulting 3D reconstructions have the best possible isotropic resolution in all directions. PMID:28811371

Kolmogorov-Kraichnan Scaling in the Inverse Energy Cascade of Two-Dimensional Plasma Turbulence

NASA Astrophysics Data System (ADS)

Antar, G. Y.

2003-08-01

Turbulence in plasmas that are magnetically confined, such as tokamaks or linear devices, is two dimensional or at least quasi two dimensional due to the strong magnetic field, which leads to extreme elongation of the fluctuations, if any, in the direction parallel to the magnetic field. These plasmas are also compressible fluid flows obeying the compressible Navier-Stokes equations. This Letter presents the first comprehensive scaling of the structure functions of the density and velocity fields up to 10th order in the PISCES linear plasma device and up to 6th order in the Mega-Ampère Spherical Tokamak (MAST). In the two devices, it is found that the scaling of the turbulent fields is in good agreement with the prediction of the Kolmogorov-Kraichnan theory for two-dimensional turbulence in the energy cascade subrange.

Study of genetic direct search algorithms for function optimization

NASA Technical Reports Server (NTRS)

Zeigler, B. P.

1974-01-01

The results are presented of a study to determine the performance of genetic direct search algorithms in solving function optimization problems arising in the optimal and adaptive control areas. The findings indicate that: (1) genetic algorithms can outperform standard algorithms in multimodal and/or noisy optimization situations, but suffer from lack of gradient exploitation facilities when gradient information can be utilized to guide the search. (2) For large populations, or low dimensional function spaces, mutation is a sufficient operator. However for small populations or high dimensional functions, crossover applied in about equal frequency with mutation is an optimum combination. (3) Complexity, in terms of storage space and running time, is significantly increased when population size is increased or the inversion operator, or the second level adaptation routine is added to the basic structure.

A solution for two-dimensional mazes with use of chaotic dynamics in a recurrent neural network model.

PubMed

Suemitsu, Yoshikazu; Nara, Shigetoshi

2004-09-01

Chaotic dynamics introduced into a neural network model is applied to solving two-dimensional mazes, which are ill-posed problems. A moving object moves from the position at t to t + 1 by simply defined motion function calculated from firing patterns of the neural network model at each time step t. We have embedded several prototype attractors that correspond to the simple motion of the object orienting toward several directions in two-dimensional space in our neural network model. Introducing chaotic dynamics into the network gives outputs sampled from intermediate state points between embedded attractors in a state space, and these dynamics enable the object to move in various directions. System parameter switching between a chaotic and an attractor regime in the state space of the neural network enables the object to move to a set target in a two-dimensional maze. Results of computer simulations show that the success rate for this method over 300 trials is higher than that of random walk. To investigate why the proposed method gives better performance, we calculate and discuss statistical data with respect to dynamical structure.

Template directed fabrication and characterization of one-dimensional nanostructures for nanoelectronics

NASA Astrophysics Data System (ADS)

Khan, Muhammad Ibrahim

Limitation of near future scaling down of conventional silicon technology stimulated the quest for alternative technologies in nanometer-scale materials and devices in recent years. Since the discovery of carbon nanotubes, there has been great interest in the synthesis and characterization of other one-dimensional materials. Nanorods, wires, belts, and tubes make up one particular class of anisotropic nanomaterials, which are considered quasi one-dimensional structures. Nanowires are promising materials for many novel applications, ranging from chemical and biological sensors to optical and electronic devices. This is not only because of their unique geometry, but also because they possess many unique physical properties, including electrical, magnetic, optical, as well as mechanical properties. In this dissertation, we describe the synthesis, structure and properties of nanowires of various inorganic materials fabricated simply by filling up pores or via in a template by means of electrochemical deposition (ECD). The architecture of the porous template defines the wire shape, direction and size. Because of the extreme aspect ratios of these 3D porous membranes, most physical and chemical vapor deposition techniques are ill suited for this template-directed growth technique and template directed fabrication is found to be superior in terms of low cost, high throughput, high volume, and ease of production. Also multicomponent nanowires can be grown simply by switching the solution composition or in some cases even in the same solution by switching the deposition potential. The nanowires can be released from the template matrix by chemical dissolution of the template. Based on the successful fabrication of elemental and multicomponent nanowires we have designed and fabricated InSb nanowire based field effect transistor (FET) devices on Si substrate. InSb is well known for its direct narrow band gap (0.18 eV at 300 K) with a very high electron mobility (8x10 4 cm2 V-1 s-1 at 300 K), electron velocity, and ballistic length (up to 0.7 mum at 300 K) of any known semiconductor. We demonstrated InSb nanowire devices at different diameter range from 30nm to 200nm using template directed technique which promises smaller feature sizes and an alternate, more economical path to atomic-scale computing structures than top-down lithography.

Hierarchical honeycomb auxetic metamaterials

NASA Astrophysics Data System (ADS)

Mousanezhad, Davood; Babaee, Sahab; Ebrahimi, Hamid; Ghosh, Ranajay; Hamouda, Abdelmagid Salem; Bertoldi, Katia; Vaziri, Ashkan

2015-12-01

Most conventional materials expand in transverse directions when they are compressed uniaxially resulting in the familiar positive Poisson’s ratio. Here we develop a new class of two dimensional (2D) metamaterials with negative Poisson’s ratio that contract in transverse directions under uniaxial compressive loads leading to auxeticity. This is achieved through mechanical instabilities (i.e., buckling) introduced by structural hierarchy and retained over a wide range of applied compression. This unusual behavior is demonstrated experimentally and analyzed computationally. The work provides new insights into the role of structural organization and hierarchy in designing 2D auxetic metamaterials, and new opportunities for developing energy absorbing materials, tunable membrane filters, and acoustic dampeners.

Programmable self-assembly of three-dimensional nanostructures from 10,000 unique components

NASA Astrophysics Data System (ADS)

Ong, Luvena L.; Hanikel, Nikita; Yaghi, Omar K.; Grun, Casey; Strauss, Maximilian T.; Bron, Patrick; Lai-Kee-Him, Josephine; Schueder, Florian; Wang, Bei; Wang, Pengfei; Kishi, Jocelyn Y.; Myhrvold, Cameron; Zhu, Allen; Jungmann, Ralf; Bellot, Gaetan; Ke, Yonggang; Yin, Peng

2017-12-01

Nucleic acids (DNA and RNA) are widely used to construct nanometre-scale structures with ever increasing complexity, with possible application in fields such as structural biology, biophysics, synthetic biology and photonics. The nanostructures are formed through one-pot self-assembly, with early kilodalton-scale examples containing typically tens of unique DNA strands. The introduction of DNA origami, which uses many staple strands to fold one long scaffold strand into a desired structure, has provided access to megadalton-scale nanostructures that contain hundreds of unique DNA strands. Even larger DNA origami structures are possible, but manufacturing and manipulating an increasingly long scaffold strand remains a challenge. An alternative and more readily scalable approach involves the assembly of DNA bricks, which each consist of four short binding domains arranged so that the bricks can interlock. This approach does not require a scaffold; instead, the short DNA brick strands self-assemble according to specific inter-brick interactions. First-generation bricks used to create three-dimensional structures are 32 nucleotides long, consisting of four eight-nucleotide binding domains. Protocols have been designed to direct the assembly of hundreds of distinct bricks into well formed structures, but attempts to create larger structures have encountered practical challenges and had limited success. Here we show that DNA bricks with longer, 13-nucleotide binding domains make it possible to self-assemble 0.1-1-gigadalton, three-dimensional nanostructures from tens of thousands of unique components, including a 0.5-gigadalton cuboid containing about 30,000 unique bricks and a 1-gigadalton rotationally symmetric tetramer. We also assembled a cuboid that contains around 10,000 bricks and about 20,000 uniquely addressable, 13-base-pair ‘voxels’ that serves as a molecular canvas for three-dimensional sculpting. Complex, user-prescribed, three-dimensional cavities can be produced within this molecular canvas, enabling the creation of shapes such as letters, a helicoid and a teddy bear. We anticipate that with further optimization of structure design, strand synthesis and assembly procedure even larger structures could be accessible, which could be useful for applications such as positioning functional components.

3D CAFE modeling of grain structures: application to primary dendritic and secondary eutectic solidification

NASA Astrophysics Data System (ADS)

Carozzani, T.; Digonnet, H.; Gandin, Ch-A.

2012-01-01

A three-dimensional model is presented for the prediction of grain structures formed in casting. It is based on direct tracking of grain boundaries using a cellular automaton (CA) method. The model is fully coupled with a solution of the heat flow computed with a finite element (FE) method. Several unique capabilities are implemented including (i) the possibility to track the development of several types of grain structures, e.g. dendritic and eutectic grains, (ii) a coupling scheme that permits iterations between the FE method and the CA method, and (iii) tabulated enthalpy curves for the solid and liquid phases that offer the possibility to work with multicomponent alloys. The present CAFE model is also fully parallelized and runs on a cluster of computers. Demonstration is provided by direct comparison between simulated and recorded cooling curves for a directionally solidified aluminum-7 wt% silicon alloy.

Superlattices assembled through shape-induced directional binding

NASA Astrophysics Data System (ADS)

Lu, Fang; Yager, Kevin G.; Zhang, Yugang; Xin, Huolin; Gang, Oleg

2015-04-01

Organization of spherical particles into lattices is typically driven by packing considerations. Although the addition of directional binding can significantly broaden structural diversity, nanoscale implementation remains challenging. Here we investigate the assembly of clusters and lattices in which anisotropic polyhedral blocks coordinate isotropic spherical nanoparticles via shape-induced directional interactions facilitated by DNA recognition. We show that these polyhedral blocks--cubes and octahedrons--when mixed with spheres, promote the assembly of clusters with architecture determined by polyhedron symmetry. Moreover, three-dimensional binary superlattices are formed when DNA shells accommodate the shape disparity between nanoparticle interfaces. The crystallographic symmetry of assembled lattices is determined by the spatial symmetry of the block's facets, while structural order depends on DNA-tuned interactions and particle size ratio. The presented lattice assembly strategy, exploiting shape for defining the global structure and DNA-mediation locally, opens novel possibilities for by-design fabrication of binary lattices.

Superlattices assembled through shape-induced directional binding

DOE PAGES

Lu, Fang; Yager, Kevin G.; Zhang, Yugang; ...

2015-04-23

Organization of spherical particles into lattices is typically driven by packing considerations. Although the addition of directional binding can significantly broaden structural diversity, nanoscale implementation remains challenging. Here we investigate the assembly of clusters and lattices in which anisotropic polyhedral blocks coordinate isotropic spherical nanoparticles via shape-induced directional interactions facilitated by DNA recognition. We show that these polyhedral blocks—cubes and octahedrons—when mixed with spheres, promote the assembly of clusters with architecture determined by polyhedron symmetry. Moreover, three-dimensional binary superlattices are formed when DNA shells accommodate the shape disparity between nanoparticle interfaces. The crystallographic symmetry of assembled lattices is determined bymore » the spatial symmetry of the block’s facets, while structural order depends on DNA-tuned interactions and particle size ratio. Lastly, the presented lattice assembly strategy, exploiting shape for defining the global structure and DNA-mediation locally, opens novel possibilities for by-design fabrication of binary lattices.« less

Directional radiation of Babinet-inverted optical nanoantenna integrated with plasmonic waveguide

NASA Astrophysics Data System (ADS)

Kim, Jineun; Roh, Young-Geun; Cheon, Sangmo; Jeong Kim, Un; Hwang, Sung Woo; Park, Yeonsang; Lee, Chang-Won

2015-07-01

We present a Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide. Using an integrated nanoantenna, we can couple the plasmon guide mode in a metal-insulator-metal (MIM) structure into the resonant antenna feed directly. The resonantly excited feed slot then radiates to free space and generates a magnetic dipole-like far-field pattern. The coupling efficiency of the integrated nanoantenna is calculated as being approximately 19% using a three-dimensional finite-difference time-domain (3D FDTD) simulation. By adding an auxiliary groove structure along with the feed, the radiation direction can be controlled similar to an optical Yagi-Uda antenna. We also determine, both theoretically and experimentally, that groove depth plays a significant role to function groove structure as a reflector or a director. The demonstrated Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide can be used as a “plasmonic via” in plasmonic nanocircuits.

Directional radiation of Babinet-inverted optical nanoantenna integrated with plasmonic waveguide.

PubMed

Kim, Jineun; Roh, Young-Geun; Cheon, Sangmo; Kim, Un Jeong; Hwang, Sung Woo; Park, Yeonsang; Lee, Chang-Won

2015-07-02

We present a Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide. Using an integrated nanoantenna, we can couple the plasmon guide mode in a metal-insulator-metal (MIM) structure into the resonant antenna feed directly. The resonantly excited feed slot then radiates to free space and generates a magnetic dipole-like far-field pattern. The coupling efficiency of the integrated nanoantenna is calculated as being approximately 19% using a three-dimensional finite-difference time-domain (3D FDTD) simulation. By adding an auxiliary groove structure along with the feed, the radiation direction can be controlled similar to an optical Yagi-Uda antenna. We also determine, both theoretically and experimentally, that groove depth plays a significant role to function groove structure as a reflector or a director. The demonstrated Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide can be used as a "plasmonic via" in plasmonic nanocircuits.

Directional radiation of Babinet-inverted optical nanoantenna integrated with plasmonic waveguide

PubMed Central

Kim, Jineun; Roh, Young-Geun; Cheon, Sangmo; Jeong Kim, Un; Hwang, Sung Woo; Park, Yeonsang; Lee, Chang-Won

2015-01-01

We present a Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide. Using an integrated nanoantenna, we can couple the plasmon guide mode in a metal-insulator-metal (MIM) structure into the resonant antenna feed directly. The resonantly excited feed slot then radiates to free space and generates a magnetic dipole-like far-field pattern. The coupling efficiency of the integrated nanoantenna is calculated as being approximately 19% using a three-dimensional finite-difference time-domain (3D FDTD) simulation. By adding an auxiliary groove structure along with the feed, the radiation direction can be controlled similar to an optical Yagi-Uda antenna. We also determine, both theoretically and experimentally, that groove depth plays a significant role to function groove structure as a reflector or a director. The demonstrated Babinet-inverted optical nanoantenna integrated with a plasmonic waveguide can be used as a “plasmonic via” in plasmonic nanocircuits. PMID:26135115

Strain tuning of electronic properties of various dimension elemental tellurium with broken screw symmetry

NASA Astrophysics Data System (ADS)

Xue, Xiong-Xiong; Feng, Ye-Xin; Liao, Lei; Chen, Qin-Jun; Wang, Dan; Tang, Li-Ming; Chen, Keqiu

2018-03-01

We present a systematical study of atomic structures and electronic properties of various dimension tellurium (Te) with broken intrinsical screw symmetry by applying reasonable strain. It is demonstrated that (i) bulk trigonal Te has degenerate Weyl nodes around the H point near the Fermi energy, and this degeneracy will be broken by introducing the selenium (Se) atom through creating the inner unsymmetrical strain, instead of external shear strain. (ii) 2D structures of tetragonal Te (t-Te) and 1T-MoS2-like Te (1T-Te) show direct and indirect band gap, respectively. Under the uniform biaxial compressive (BC) strain, monolayer of t-Te shows the direct-to-indirect band gap transition, while 1T-Te monolayer has a band gap transition firstly from indirect to direct and then from direct to indirect. Their effective masses of hole and electron can be effectively tuned by BC strain. (iii) One-dimensional (1D) structures of single helix, triangular Te and hexagonal Te nanowires display the obvious quantum confinement effect on the band structure and different sensitivity to the effect of uniaxial compressive strain.

Neural Integration of Information Specifying Human Structure from Form, Motion, and Depth

PubMed Central

Jackson, Stuart; Blake, Randolph

2010-01-01

Recent computational models of biological motion perception operate on ambiguous two-dimensional representations of the body (e.g., snapshots, posture templates) and contain no explicit means for disambiguating the three-dimensional orientation of a perceived human figure. Are there neural mechanisms in the visual system that represent a moving human figure’s orientation in three dimensions? To isolate and characterize the neural mechanisms mediating perception of biological motion, we used an adaptation paradigm together with bistable point-light (PL) animations whose perceived direction of heading fluctuates over time. After exposure to a PL walker with a particular stereoscopically defined heading direction, observers experienced a consistent aftereffect: a bistable PL walker, which could be perceived in the adapted orientation or reversed in depth, was perceived predominantly reversed in depth. A phase-scrambled adaptor produced no aftereffect, yet when adapting and test walkers differed in size or appeared on opposite sides of fixation aftereffects did occur. Thus, this heading direction aftereffect cannot be explained by local, disparity-specific motion adaptation, and the properties of scale and position invariance imply higher-level origins of neural adaptation. Nor is disparity essential for producing adaptation: when suspended on top of a stereoscopically defined, rotating globe, a context-disambiguated “globetrotter” was sufficient to bias the bistable walker’s direction, as were full-body adaptors. In sum, these results imply that the neural signals supporting biomotion perception integrate information on the form, motion, and three-dimensional depth orientation of the moving human figure. Models of biomotion perception should incorporate mechanisms to disambiguate depth ambiguities in two-dimensional body representations. PMID:20089892

Method to fabricate layered material compositions

DOEpatents

Fleming, James G.; Lin, Shawn-Yu

2004-11-02

A new class of processes suited to the fabrication of layered material compositions is disclosed. Layered material compositions are typically three-dimensional structures which can be decomposed into a stack of structured layers. The best known examples are the photonic lattices. The present invention combines the characteristic features of photolithography and chemical-mechanical polishing to permit the direct and facile fabrication of, e.g., photonic lattices having photonic bandgaps in the 0.1-20.mu. spectral range.

Symplectic no-core configuration interaction framework for ab initio nuclear structure. II. Structure of rotational states

NASA Astrophysics Data System (ADS)

Caprio, Mark A.; McCoy, Anna E.; Dytrych, Tomas

2017-09-01

Rotational band structure is readily apparent as an emergent phenomenon in ab initio nuclear many-body calculations of light nuclei, despite the incompletely converged nature of most such calculations at present. Nuclear rotation in light nuclei can be analyzed in terms of approximate dynamical symmetries of the nuclear many-body problem: in particular, Elliott's SU (3) symmetry of the three-dimensional harmonic oscillator and the symplectic Sp (3 , R) symmetry of three-dimensional phase space. Calculations for rotational band members in the ab initio symplectic no-core configuration interaction (SpNCCI) framework allow us to directly examine the SU (3) and Sp (3 , R) nature of rotational states. We present results for rotational bands in p-shell nuclei. Supported by the US DOE under Award No. DE-FG02-95ER-40934 and the Czech Science Foundation under Grant No. 16-16772S.

Three-dimensional Organization of Layered Apical Cytoskeletal Networks Associated with Mouse Airway Tissue Development

NASA Astrophysics Data System (ADS)

Tateishi, Kazuhiro; Nishida, Tomoki; Inoue, Kanako; Tsukita, Sachiko

2017-03-01

The cytoskeleton is an essential cellular component that enables various sophisticated functions of epithelial cells by forming specialized subcellular compartments. However, the functional and structural roles of cytoskeletons in subcellular compartmentalization are still not fully understood. Here we identified a novel network structure consisting of actin filaments, intermediate filaments, and microtubules directly beneath the apical membrane in mouse airway multiciliated cells and in cultured epithelial cells. Three-dimensional imaging by ultra-high voltage electron microscopy and immunofluorescence revealed that the morphological features of each network depended on the cell type and were spatiotemporally integrated in association with tissue development. Detailed analyses using Odf2 mutant mice, which lack ciliary basal feet and apical microtubules, suggested a novel contribution of the intermediate filaments to coordinated ciliary beating. These findings provide a new perspective for viewing epithelial cell differentiation and tissue morphogenesis through the structure and function of apical cytoskeletal networks.

Direct observation for atomically flat and ordered vertical {111} side-surfaces on three-dimensionally figured Si(110) substrate using scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Yang, Haoyu; Hattori, Azusa N.; Ohata, Akinori; Takemoto, Shohei; Hattori, Ken; Daimon, Hiroshi; Tanaka, Hidekazu

2017-11-01

A three-dimensional Si{111} vertical side-surface structure on a Si(110) wafer was fabricated by reactive ion etching (RIE) followed by wet-etching and flash-annealing treatments. The side-surface was studied with scanning tunneling microscopy (STM) in atomic scale for the first time, in addition to atomic force microscopy (AFM), scanning electron microscopy (SEM), and low-energy electron diffraction (LEED). AFM and SEM showed flat and smooth vertical side-surfaces without scallops, and STM proved the realization of an atomically-flat 7 × 7-reconstructed structure, under optimized RIE and wet-etching conditions. STM also showed that a step-bunching occurred on the produced {111} side-surface corresponding to a reversely taped side-surface with a tilt angle of a few degrees, but did not show disordered structures. Characteristic LEED patterns from both side- and top-reconstructed surfaces were also demonstrated.

Structural investigation of Titan tholins by solution-state 1H, 13C, and 15N NMR: one-dimensional and decoupling experiments.

PubMed

He, Chao; Lin, Guangxin; Upton, Kathleen T; Imanaka, Hiroshi; Smith, Mark A

2012-05-17

Titan, the largest moon of Saturn, is enveloped in a reddish brown organic haze. Titan haze is presumed to be formed from methane and nitrogen (CH(4) and N(2)) in Titan's upper atmosphere through energetic photochemistry and particle bombardment. Though Titan haze has been directly investigated using methods including the Cassini mission, its formation mechanism and the contributing chemical structures and prebiotic potential are still not well developed. We report here the structural investigation of the (13)C and (15)N labeled, simulated Titan haze aerosol (tholin) by solution-state NMR. The one-dimensional (1)H, (13)C, and (15)N NMR spectra and decoupling experiments indicate that the tholin sample contains amine, nitrile, imine, and N-heteroaromatic compounds of tremendous import in understanding complex organic chemistry in anaerobic, extraterrestrial environments.

A numerical formulation and algorithm for limit and shakedown analysis of large-scale elastoplastic structures

NASA Astrophysics Data System (ADS)

Peng, Heng; Liu, Yinghua; Chen, Haofeng

2018-05-01

In this paper, a novel direct method called the stress compensation method (SCM) is proposed for limit and shakedown analysis of large-scale elastoplastic structures. Without needing to solve the specific mathematical programming problem, the SCM is a two-level iterative procedure based on a sequence of linear elastic finite element solutions where the global stiffness matrix is decomposed only once. In the inner loop, the static admissible residual stress field for shakedown analysis is constructed. In the outer loop, a series of decreasing load multipliers are updated to approach to the shakedown limit multiplier by using an efficient and robust iteration control technique, where the static shakedown theorem is adopted. Three numerical examples up to about 140,000 finite element nodes confirm the applicability and efficiency of this method for two-dimensional and three-dimensional elastoplastic structures, with detailed discussions on the convergence and the accuracy of the proposed algorithm.

Transition from two-dimensional photonic crystals to dielectric metasurfaces in the optical diffraction with a fine structure

PubMed Central

Rybin, Mikhail V.; Samusev, Kirill B.; Lukashenko, Stanislav Yu.; Kivshar, Yuri S.; Limonov, Mikhail F.

2016-01-01

We study experimentally a fine structure of the optical Laue diffraction from two-dimensional periodic photonic lattices. The periodic photonic lattices with the C4v square symmetry, orthogonal C2v symmetry, and hexagonal C6v symmetry are composed of submicron dielectric elements fabricated by the direct laser writing technique. We observe surprisingly strong optical diffraction from a finite number of elements that provides an excellent tool to determine not only the symmetry but also exact number of particles in the finite-length structure and the sample shape. Using different samples with orthogonal C2v symmetry and varying the lattice spacing, we observe experimentally a transition between the regime of multi-order diffraction, being typical for photonic crystals to the regime where only the zero-order diffraction can be observed, being is a clear fingerprint of dielectric metasurfaces characterized by effective parameters. PMID:27491952

Directional reflectance factor distributions of a cotton row crop

NASA Technical Reports Server (NTRS)

Kimes, D. S.; Newcomb, W. W.; Schutt, J. B.; Pinter, P. J., Jr.; Jackson, R. D.

1984-01-01

The directional reflectance factor distribution spanning the entire exitance hemisphere was measured for a cotton row crop (Gossypium barbadense L.) with 39 percent ground cover. Spectral directional radiances were taken in NOAA satellite 7 AVHRR bands 1 and 2 using a three-band radiometer with restricted 12 deg full angle field of view at half peak power points. Polar co-ordinate system plots of directional reflectance factor distributions and three-dimensional computer graphic plots of scattered flux were used to study the dynamics of the directional reflectance factor distribution as a function of spectral band, geometric structure of the scene, solar zenith and azimuth angles, and optical properties of the leaves and soil. The factor distribution of the incomplete row crops was highly polymodal relative to that for complete vegetation canopies. Besides the enhanced reflectance for the antisolar point, a reflectance minimum was observed towards the forwardscatter direction in the principle plane of the sun. Knowledge of the mechanics of the observed dynamics of the data may be used to provide rigorous validation for two- or three-dimensional radiative transfer models, and is important in interpreting aircraft and satellite data where the solar angle varies widely.

Feature extraction based on semi-supervised kernel Marginal Fisher analysis and its application in bearing fault diagnosis

NASA Astrophysics Data System (ADS)

Jiang, Li; Xuan, Jianping; Shi, Tielin

2013-12-01

Generally, the vibration signals of faulty machinery are non-stationary and nonlinear under complicated operating conditions. Therefore, it is a big challenge for machinery fault diagnosis to extract optimal features for improving classification accuracy. This paper proposes semi-supervised kernel Marginal Fisher analysis (SSKMFA) for feature extraction, which can discover the intrinsic manifold structure of dataset, and simultaneously consider the intra-class compactness and the inter-class separability. Based on SSKMFA, a novel approach to fault diagnosis is put forward and applied to fault recognition of rolling bearings. SSKMFA directly extracts the low-dimensional characteristics from the raw high-dimensional vibration signals, by exploiting the inherent manifold structure of both labeled and unlabeled samples. Subsequently, the optimal low-dimensional features are fed into the simplest K-nearest neighbor (KNN) classifier to recognize different fault categories and severities of bearings. The experimental results demonstrate that the proposed approach improves the fault recognition performance and outperforms the other four feature extraction methods.

Observation of the Chiral and Achiral Hexatic Phases of Self-assembled Micellar polymers

PubMed Central

Pal, Antara; Kamal, Md. Arif; Raghunathan, V. A.

2016-01-01

We report the discovery of a thermodynamically stable line hexatic (N + 6) phase in a three-dimensional (3D) system made up of self-assembled polymer-like micelles of amphiphilic molecules. The experimentally observed phase transition sequence nematic (N)  N + 6  two-dimensional hexagonal (2D-H) is in good agreement with the theoretical predictions. Further, the present study also brings to light the effect of chirality on the N + 6 phase. In the chiral N + 6 phase the bond-orientational order within each “polymer” bundle is found to be twisted about an axis parallel to the average polymer direction. This structure is consistent with the theoretically envisaged Moiré state, thereby providing the first experimental demonstration of the Moiré structure. In addition to confirming the predictions of fundamental theories of two-dimensional melting, these results are relevant in a variety of situations in chemistry, physics and biology, where parallel packing of polymer-like objects are encountered. PMID:27577927

A new series of two-dimensional silicon crystals with versatile electronic properties

NASA Astrophysics Data System (ADS)

Chae, Kisung; Kim, Duck Young; Son, Young-Woo

2018-04-01

Silicon (Si) is one of the most extensively studied materials owing to its significance to semiconductor science and technology. While efforts to find a new three-dimensional (3D) Si crystal with unusual properties have made some progress, its two-dimensional (2D) phases have not yet been explored as much. Here, based on a newly developed systematic ab initio materials searching strategy, we report a series of novel 2D Si crystals with unprecedented structural and electronic properties. The new structures exhibit perfectly planar outermost surface layers of a distorted hexagonal network with their thicknesses varying with the atomic arrangement inside. Dramatic changes in electronic properties ranging from semimetal to semiconducting with indirect energy gaps and even to one with direct energy gaps are realized by varying thickness as well as by surface oxidation. Our predicted 2D Si crystals with flat surfaces and tunable electronic properties will shed light on the development of silicon-based 2D electronics technology.

Ripple-modulated electronic structure of a 3D topological insulator.

PubMed

Okada, Yoshinori; Zhou, Wenwen; Walkup, D; Dhital, Chetan; Wilson, Stephen D; Madhavan, V

2012-01-01

Three-dimensional topological insulators host linearly dispersing states with unique properties and a strong potential for applications. An important ingredient in realizing some of the more exotic states in topological insulators is the ability to manipulate local electronic properties. Direct analogy to the Dirac material graphene suggests that a possible avenue for controlling local properties is via a controlled structural deformation such as the formation of ripples. However, the influence of such ripples on topological insulators is yet to be explored. Here we use scanning tunnelling microscopy to determine the effects of one-dimensional buckling on the electronic properties of Bi(2)Te(3.) By tracking spatial variations of the interference patterns generated by the Dirac electrons we show that buckling imposes a periodic potential, which locally modulates the surface-state dispersion. This suggests that forming one- and two-dimensional ripples is a viable method for creating nanoscale potential landscapes that can be used to control the properties of Dirac electrons in topological insulators.

Graphene--nanotube--iron hierarchical nanostructure as lithium ion battery anode.

PubMed

Lee, Si-Hwa; Sridhar, Vadahanambi; Jung, Jung-Hwan; Karthikeyan, Kaliyappan; Lee, Yun-Sung; Mukherjee, Rahul; Koratkar, Nikhil; Oh, Il-Kwon

2013-05-28

In this study, we report a novel route via microwave irradiation to synthesize a bio-inspired hierarchical graphene--nanotube--iron three-dimensional nanostructure as an anode material in lithium-ion batteries. The nanostructure comprises vertically aligned carbon nanotubes grown directly on graphene sheets along with shorter branches of carbon nanotubes stemming out from both the graphene sheets and the vertically aligned carbon nanotubes. This bio-inspired hierarchical structure provides a three-dimensional conductive network for efficient charge-transfer and prevents the agglomeration and restacking of the graphene sheets enabling Li-ions to have greater access to the electrode material. In addition, functional iron-oxide nanoparticles decorated within the three-dimensional hierarchical structure provides outstanding lithium storage characteristics, resulting in very high specific capacities. The anode material delivers a reversible capacity of ~1024 mA · h · g(-1) even after prolonged cycling along with a Coulombic efficiency in excess of 99%, which reflects the ability of the hierarchical network to prevent agglomeration of the iron-oxide nanoparticles.

Three-dimensional hybrid grid generation using advancing front techniques

NASA Technical Reports Server (NTRS)

Steinbrenner, John P.; Noack, Ralph W.

1995-01-01

A new 3-dimensional hybrid grid generation technique has been developed, based on ideas of advancing fronts for both structured and unstructured grids. In this approach, structured grids are first generate independently around individual components of the geometry. Fronts are initialized on these structure grids, and advanced outward so that new cells are extracted directly from the structured grids. Employing typical advancing front techniques, cells are rejected if they intersect the existing front or fail other criteria When no more viable structured cells exist further cells are advanced in an unstructured manner to close off the overall domain, resulting in a grid of 'hybrid' form. There are two primary advantages to the hybrid formulation. First, generating blocks with limited regard to topology eliminates the bottleneck encountered when a multiple block system is used to fully encapsulate a domain. Individual blocks may be generated free of external constraints, which will significantly reduce the generation time. Secondly, grid points near the body (presumably with high aspect ratio) will still maintain a structured (non-triangular or tetrahedral) character, thereby maximizing grid quality and solution accuracy near the surface.

Non-reciprocal wave propagation in one-dimensional nonlinear periodic structures

NASA Astrophysics Data System (ADS)

Luo, Benbiao; Gao, Sha; Liu, Jiehui; Mao, Yiwei; Li, Yifeng; Liu, Xiaozhou

2018-01-01

We study a one-dimensional nonlinear periodic structure which contains two different spring stiffness and an identical mass in each period. The linear dispersion relationship we obtain indicates that our periodic structure has obvious advantages compared to other kinds of periodic structures (i.e. those with the same spring stiffness but two different mass), including its increased flexibility for manipulating the band gap. Theoretically, the optical cutoff frequency remains unchanged while the acoustic cutoff frequency shifts to a lower or higher frequency. A numerical simulation verifies the dispersion relationship and the effect of the amplitude-dependent signal filter. Based upon this, we design a device which contains both a linear periodic structure and a nonlinear periodic structure. When incident waves with the same, large amplitude pass through it from opposite directions, the output amplitude of the forward input is one order magnitude larger than that of the reverse input. Our devised, non-reciprocal device can potentially act as an acoustic diode (AD) without an electrical circuit and frequency shifting. Our result represents a significant step forwards in the research of non-reciprocal wave manipulation.

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

HR Del REMNANT ANATOMY USING TWO-DIMENSIONAL SPECTRAL DATA AND THREE-DIMENSIONAL PHOTOIONIZATION SHELL MODELS

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

Moraes, Manoel; Diaz, Marcos

2009-12-15

The HR Del nova remnant was observed with the IFU-GMOS at Gemini North. The spatially resolved spectral data cube was used in the kinematic, morphological, and abundance analysis of the ejecta. The line maps show a very clumpy shell with two main symmetric structures. The first one is the outer part of the shell seen in H{alpha}, which forms two rings projected in the sky plane. These ring structures correspond to a closed hourglass shape, first proposed by Harman and O'Brien. The equatorial emission enhancement is caused by the superimposed hourglass structures in the line of sight. The second structuremore » seen only in the [O III] and [N II] maps is located along the polar directions inside the hourglass structure. Abundance gradients between the polar caps and equatorial region were not found. However, the outer part of the shell seems to be less abundant in oxygen and nitrogen than the inner regions. Detailed 2.5-dimensional photoionization modeling of the three-dimensional shell was performed using the mass distribution inferred from the observations and the presence of mass clumps. The resulting model grids are used to constrain the physical properties of the shell as well as the central ionizing source. A sequence of three-dimensional clumpy models including a disk-shaped ionization source is able to reproduce the ionization gradients between polar and equatorial regions of the shell. Differences between shell axial ratios in different lines can also be explained by aspherical illumination. A total shell mass of 9 x 10{sup -4} M {sub sun} is derived from these models. We estimate that 50%-70% of the shell mass is contained in neutral clumps with density contrast up to a factor of 30.« less

An Object-Oriented Serial DSMC Simulation Package

NASA Astrophysics Data System (ADS)

Liu, Hongli; Cai, Chunpei

2011-05-01

A newly developed three-dimensional direct simulation Monte Carlo (DSMC) simulation package, named GRASP ("Generalized Rarefied gAs Simulation Package"), is reported in this paper. This package utilizes the concept of simulation engine, many C++ features and software design patterns. The package has an open architecture which can benefit further development and maintenance of the code. In order to reduce the engineering time for three-dimensional models, a hybrid grid scheme, combined with a flexible data structure compiled by C++ language, are implemented in this package. This scheme utilizes a local data structure based on the computational cell to achieve high performance on workstation processors. This data structure allows the DSMC algorithm to be very efficiently parallelized with domain decomposition and it provides much flexibility in terms of grid types. This package can utilize traditional structured, unstructured or hybrid grids within the framework of a single code to model arbitrarily complex geometries and to simulate rarefied gas flows. Benchmark test cases indicate that this package has satisfactory accuracy for complex rarefied gas flows.

A sparse structure learning algorithm for Gaussian Bayesian Network identification from high-dimensional data.

PubMed

Huang, Shuai; Li, Jing; Ye, Jieping; Fleisher, Adam; Chen, Kewei; Wu, Teresa; Reiman, Eric

2013-06-01

Structure learning of Bayesian Networks (BNs) is an important topic in machine learning. Driven by modern applications in genetics and brain sciences, accurate and efficient learning of large-scale BN structures from high-dimensional data becomes a challenging problem. To tackle this challenge, we propose a Sparse Bayesian Network (SBN) structure learning algorithm that employs a novel formulation involving one L1-norm penalty term to impose sparsity and another penalty term to ensure that the learned BN is a Directed Acyclic Graph--a required property of BNs. Through both theoretical analysis and extensive experiments on 11 moderate and large benchmark networks with various sample sizes, we show that SBN leads to improved learning accuracy, scalability, and efficiency as compared with 10 existing popular BN learning algorithms. We apply SBN to a real-world application of brain connectivity modeling for Alzheimer's disease (AD) and reveal findings that could lead to advancements in AD research.

A Sparse Structure Learning Algorithm for Gaussian Bayesian Network Identification from High-Dimensional Data

PubMed Central

Huang, Shuai; Li, Jing; Ye, Jieping; Fleisher, Adam; Chen, Kewei; Wu, Teresa; Reiman, Eric

2014-01-01

Structure learning of Bayesian Networks (BNs) is an important topic in machine learning. Driven by modern applications in genetics and brain sciences, accurate and efficient learning of large-scale BN structures from high-dimensional data becomes a challenging problem. To tackle this challenge, we propose a Sparse Bayesian Network (SBN) structure learning algorithm that employs a novel formulation involving one L1-norm penalty term to impose sparsity and another penalty term to ensure that the learned BN is a Directed Acyclic Graph (DAG)—a required property of BNs. Through both theoretical analysis and extensive experiments on 11 moderate and large benchmark networks with various sample sizes, we show that SBN leads to improved learning accuracy, scalability, and efficiency as compared with 10 existing popular BN learning algorithms. We apply SBN to a real-world application of brain connectivity modeling for Alzheimer’s disease (AD) and reveal findings that could lead to advancements in AD research. PMID:22665720

Comparison of Commercial Structure-From Photogrammety Software Used for Underwater Three-Dimensional Modeling of Coral Reef Environments

NASA Astrophysics Data System (ADS)

Burns, J. H. R.; Delparte, D.

2017-02-01

Structural complexity in ecosystems creates an assortment of microhabitat types and has been shown to support greater diversity and abundance of associated organisms. The 3D structure of an environment also directly affects important ecological parameters such as habitat provisioning and light availability and can therefore strongly influence ecosystem function. Coral reefs are architecturally complex 3D habitats, whose structure is intrinsically linked to the ecosystem biodiversity, productivity, and function. The field of coral ecology has, however, been primarily limited to using 2-dimensional (2D) planar survey techniques for studying the physical structure of reefs. This conventional approach fails to capture or quantify the intricate structural complexity of corals that influences habitat facilitation and biodiversity. A 3-dimensional (3D) approach can obtain accurate measurements of architectural complexity, topography, rugosity, volume, and other structural characteristics that affect biodiversity and abundance of reef organisms. Structurefrom- Motion (SfM) photogrammetry is an emerging computer vision technology that provides a simple and cost-effective method for 3D reconstruction of natural environments. SfM has been used in several studies to investigate the relationship between habitat complexity and ecological processes in coral reef ecosystems. This study compared two commercial SfM software packages, Agisoft Photoscan Pro and Pix4Dmapper Pro 3.1, in order to assess the cpaability and spatial accuracy of these programs for conducting 3D modeling of coral reef habitats at three spatial scales.

Shift of semimetal-semiconductor bond direction on “0 1 1” to “1 1 1” Bismuth quazi-two-dimension system

NASA Astrophysics Data System (ADS)

Yazdani, Ahmad; Hamreh, Sajad

2018-03-01

The electronic structure of the nanocrystallines and quasi-two-dimensional systems strongly impressed by the thermodynamic- behavior mainly due to excess of hidden surface free energy. Therefore, the stability of crystalline structure’s change could be related to band-offset of bond rupturing of atomic displacements. whereas for the electronic-structure of "Bi" it seams the competition of L.S and bond exchange should be effectively dominated. Besides all of the characters behave spatial like strong sensitive oxidation here it is supposed that strong correlated electronic structure in the absence of oxygen is resulted on direction of redistribution of surface chemical bond formation before any reconstructive structure. Where • The metallic direction of electronic structure “0 1 1” is changed to “1 1 1” semiconductor direction. • the effect of L.S is more evident on the local density of state while it is not observable around the fermi level. • Strong effect of spin-orbit interaction on splitting of the valance to nearly conduction band around the fermi level is more evident.

Direct influence of culture dimensionality on human mesenchymal stem cell differentiation at various matrix stiffnesses using a fibrous self-assembling peptide hydrogel.

PubMed

Hogrebe, Nathaniel J; Gooch, Keith J

2016-09-01

Much is unknown about the effects of culture dimensionality on cell behavior due to the lack of biomimetic substrates that are suitable for directly comparing cells grown on two-dimensional (2D) and encapsulated within three-dimensional (3D) matrices of the same stiffness and biochemistry. To overcome this limitation, we used a self-assembling peptide hydrogel system that has tunable stiffness and cell-binding site density as well as a fibrous microarchitecture resembling the structure of collagen. We investigated the effect of culture dimensionality on human mesenchymal stem cell differentiation at different values of matrix stiffness (G' = 0.25, 1.25, 5, and 10 kPa) and a constant RGD (Arg-Gly-Asp) binding site concentration. In the presence of the same soluble induction factors, culture on top of stiff gels facilitated the most efficient osteogenesis, while encapsulation within the same stiff gels resulted in a switch to predominantly terminal chondrogenesis. Adipogenesis dominated at soft conditions, and 3D culture induced better adipogenic differentiation than 2D culture at a given stiffness. Interestingly, initial matrix-induced cell morphology was predictive of these end phenotypes. Furthermore, optimal culture conditions corresponded to each cell type's natural niche within the body, highlighting the importance of incorporating native matrix dimensionality and stiffness into tissue engineering strategies. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 2356-2368, 2016. © 2016 Wiley Periodicals, Inc.

Dusty Cloud Acceleration by Radiation Pressure in Rapidly Star-forming Galaxies

NASA Astrophysics Data System (ADS)

Zhang, Dong; Davis, Shane W.; Jiang, Yan-Fei; Stone, James M.

2018-02-01

We perform two-dimensional and three-dimensional radiation hydrodynamic simulations to study cold clouds accelerated by radiation pressure on dust in the environment of rapidly star-forming galaxies dominated by infrared flux. We utilize the reduced speed of light approximation to solve the frequency-averaged, time-dependent radiative transfer equation. We find that radiation pressure is capable of accelerating the clouds to hundreds of kilometers per second while remaining dense and cold, consistent with observations. We compare these results to simulations where acceleration is provided by entrainment in a hot wind, where the momentum injection of the hot flow is comparable to the momentum in the radiation field. We find that the survival time of the cloud accelerated by the radiation field is significantly longer than that of a cloud entrained in a hot outflow. We show that the dynamics of the irradiated cloud depends on the initial optical depth, temperature of the cloud, and intensity of the flux. Additionally, gas pressure from the background may limit cloud acceleration if the density ratio between the cloud and background is ≲ {10}2. In general, a 10 pc-scale optically thin cloud forms a pancake structure elongated perpendicular to the direction of motion, while optically thick clouds form a filamentary structure elongated parallel to the direction of motion. The details of accelerated cloud morphology and geometry can also be affected by other factors, such as the cloud lengthscale, reduced speed of light approximation, spatial resolution, initial cloud structure, and dimensionality of the run, but these have relatively little affect on the cloud velocity or survival time.

Characterization of one-dimensional molecular chains of 4,4'-biphenyl diisocyanide on Au(111) by scanning tunneling microscopy

DOE PAGES

Zhou, Jing; Li, Yan; Zahl, Percy; ...

2015-03-14

The morphology and electronic structure of vapor deposited 4,4'-biphenyldiisocyanide (BPDI) on a Au(111) surface were investigated using variable-temperature scanning tunneling microscopy (STM). When deposited at room temperature, BPDI molecules form one-dimensional molecular chains similar to that recently observed for the structurally related 1,4-phenyl diisocyanide (PDI). Compared to PDI, the longer periodicity for the BPDI molecular chains is consistent with the addition of a second phenyl ring and supports a structural model in which the BPDI molecules lie parallel to the surface and interconnected by Au-adatoms. The molecular chains are mostly aligned along the [110] direction of the Au(111) substrate, butmore » exhibit frequent changes in angle that are consistent with directions between fcc and hcp three-fold hollow sites. Dispersion-corrected density functional theory calculations for one-dimensional chains of BPDI molecules bound end-to-end via their isocyanide groups to Au-adatoms reproduce the observed periodicity of the chains and show that this morphology is energetically favored over upright binding with one free –NC group. The spatially resolved conductance (dI/dV) map for BPDI on Au(111) exhibits a feature centered at -0.67 eV below the Fermi level which are delocalized along the chain with maxima at the Au-adatom and biphenyl positions. This occupied resonant feature is close to that previously observed for the PDI in both photoemission and conductance measurements and is attributed to an occupied interfacial state resulting from BPDI-Au interactions« less

Two dimensional finite element heat transfer models for softwood

Treesearch

Hongmei Gu; John F. Hunt

2004-01-01

The anisotropy of wood creates a complex problem for solving heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Most heat transfer models use average thermal properties across either the radial or tangential directions and have not differentiated the effects of cellular alignment, earlywood/latewood...

High-Dimensional Semantic Space Accounts of Priming

ERIC Educational Resources Information Center

Jones, Michael N.; Kintsch, Walter; Mewhort, Douglas J. K.

2006-01-01

A broad range of priming data has been used to explore the structure of semantic memory and to test between models of word representation. In this paper, we examine the computational mechanisms required to learn distributed semantic representations for words directly from unsupervised experience with language. To best account for the variety of…

Structural and magnetic characterization of the one-dimensional S = 5/2 antiferromagnetic chain system SrMn(VO 4)(OH)

DOE PAGES

Sanjeewa, Liurukara D.; Garlea, Vasile O.; McGuire, Michael A.; ...

2016-06-06

The descloizite-type compound, SrMn(VO 4)(OH), was synthesized as large single crystals (1-2mm) using a high-temperature high-pressure hydrothermal technique. X-ray single crystal structure analysis reveals that the material crystallizes in the acentric orthorhombic space group of P2 12 12 1 (no. 19), Z = 4. The structure exhibits a one-dimensional feature, with [MnO 4] chains propagating along the a-axis which are interconnected by VO 4 tetrahedra. Raman and infrared spectra were obtained to identify the fundamental vanadate and hydroxide vibrational modes. Magnetization data reveal a broad maximum at approximately 80 K, arising from one-dimensional magnetic correlations with intrachain exchange constant ofmore » J/k B = 9.97(3) K between nearest Mn neighbors and a canted antiferromagnetic behavior below T N = 30 K. Single crystal neutron diffraction at 4 K yielded a magnetic structure solution in the lower symmetry of the magnetic space group P2 1 with two unique chains displaying antiferromagnetically ordered Mn moments oriented nearly perpendicular to the chain axis. Lastly, the presence of the Dzyaloshinskii Moriya antisymmetric exchange interaction leads to a slight canting of the spins and gives rise to a weak ferromagnetic component along the chain direction.« less

Three-dimensionality of the bulk electronic structure in WTe 2

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

Wu, Yun; Jo, Na Hyun; Mou, Daixiang

Inmore » this paper, we use temperature- and field-dependent resistivity measurements (Shubnikov–de Haas quantum oscillations) and ultrahigh-resolution, tunable, vacuum ultraviolet laser-based angle-resolved photoemission spectroscopy (ARPES) to study the three-dimensionality (3D) of the bulk electronic structure in WTe 2 , a type II Weyl semimetal. The bulk Fermi surface (FS) consists of two pairs of electron pockets and two pairs of hole pockets along the Χ–Γ–Χ direction as detected by using an incident photon energy of 6.7 eV, which is consistent with the previously reported data. However, if using an incident photon energy of 6.36 eV, another pair of tiny electron pockets is detected on both sides of the Γ point, which is in agreement with the small quantum oscillation frequency peak observed in the magnetoresistance. Therefore, the bulk, 3D FS consists of three pairs of electron pockets and two pairs of hole pockets in total. With the ability of fine tuning the incident photon energy, we demonstrate the strong three-dimensionality of the bulk electronic structure in WTe 2 . Finally, the combination of resistivity and ARPES measurements reveals the complete, and consistent, picture of the bulk electronic structure of this material.« less

Three-dimensionality of the bulk electronic structure in WTe 2

DOE PAGES

Wu, Yun; Jo, Na Hyun; Mou, Daixiang; ...

2017-05-18

Inmore » this paper, we use temperature- and field-dependent resistivity measurements (Shubnikov–de Haas quantum oscillations) and ultrahigh-resolution, tunable, vacuum ultraviolet laser-based angle-resolved photoemission spectroscopy (ARPES) to study the three-dimensionality (3D) of the bulk electronic structure in WTe 2 , a type II Weyl semimetal. The bulk Fermi surface (FS) consists of two pairs of electron pockets and two pairs of hole pockets along the Χ–Γ–Χ direction as detected by using an incident photon energy of 6.7 eV, which is consistent with the previously reported data. However, if using an incident photon energy of 6.36 eV, another pair of tiny electron pockets is detected on both sides of the Γ point, which is in agreement with the small quantum oscillation frequency peak observed in the magnetoresistance. Therefore, the bulk, 3D FS consists of three pairs of electron pockets and two pairs of hole pockets in total. With the ability of fine tuning the incident photon energy, we demonstrate the strong three-dimensionality of the bulk electronic structure in WTe 2 . Finally, the combination of resistivity and ARPES measurements reveals the complete, and consistent, picture of the bulk electronic structure of this material.« less

Fabrication of Capacitive Acoustic Resonators Combining 3D Printing and 2D Inkjet Printing Techniques

PubMed Central

Haque, Rubaiyet Iftekharul; Ogam, Erick; Loussert, Christophe; Benaben, Patrick; Boddaert, Xavier

2015-01-01

A capacitive acoustic resonator developed by combining three-dimensional (3D) printing and two-dimensional (2D) printed electronics technique is described. During this work, a patterned bottom structure with rigid backplate and cavity is fabricated directly by a 3D printing method, and then a direct write inkjet printing technique has been employed to print a silver conductive layer. A novel approach has been used to fabricate a diaphragm for the acoustic sensor as well, where the conductive layer is inkjet-printed on a pre-stressed thin organic film. After assembly, the resulting structure contains an electrically conductive diaphragm positioned at a distance from a fixed bottom electrode separated by a spacer. Measurements confirm that the transducer acts as capacitor. The deflection of the diaphragm in response to the incident acoustic single was observed by a laser Doppler vibrometer and the corresponding change of capacitance has been calculated, which is then compared with the numerical result. Observation confirms that the device performs as a resonator and provides adequate sensitivity and selectivity at its resonance frequency. PMID:26473878

Anisotropic Ripple Deformation in Phosphorene.

PubMed

Kou, Liangzhi; Ma, Yandong; Smith, Sean C; Chen, Changfeng

2015-05-07

Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.

Structurally frustrated relaxor ferroelectric behavior in CaCu{sub 3}Ti{sub 4}O{sub 12}

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

Liu Yun; Withers, Ray L.; Wei Xiaoyong

2005-10-01

Direct diffraction evidence for structurally frustrated relaxor ferroelectric behavior in the form of one-dimensionally correlated, off-center displacements of Ti ions within the TiO{sub 6} octahedra of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) has been obtained. When coupled with the observation of a ferroelectric effect, important implications for the understanding of the extraordinary dielectric properties of CCTO arise. That the incipient ferroelectric behavior is correlated only along one-dimensional <001> columns of TiO{sub 6} octahedra in the absence of an applied electric field offers a crucial insight into the underlying nature of CCTO and suggests the existence of a unique class of structurallymore » frustrated, ferroelectric relaxors.« less

Inhomogeneous kinetic effects related to intermittent magnetic discontinuities

NASA Astrophysics Data System (ADS)

Greco, A.; Valentini, F.; Servidio, S.; Matthaeus, W. H.

2012-12-01

A connection between kinetic processes and two-dimensional intermittent plasma turbulence is observed using direct numerical simulations of a hybrid Vlasov-Maxwell model, in which the Vlasov equation is solved for protons, while the electrons are described as a massless fluid. During the development of turbulence, the proton distribution functions depart from the typical configuration of local thermodynamic equilibrium, displaying statistically significant non-Maxwellian features. In particular, temperature anisotropy and distortions are concentrated near coherent structures, generated as the result of the turbulent cascade, such as current sheets, which are nonuniformly distributed in space. Here, the partial variance of increments (PVI) method has been employed to identify high magnetic stress regions within a two-dimensional turbulent pattern. A quantitative association between non-Maxwellian features and coherent structures is established.

Development of a three-dimensional bioprinter: construction of cell supporting structures using hydrogel and state-of-the-art inkjet technology.

PubMed

Nishiyama, Yuichi; Nakamura, Makoto; Henmi, Chizuka; Yamaguchi, Kumiko; Mochizuki, Shuichi; Nakagawa, Hidemoto; Takiura, Koki

2009-03-01

We have developed a new technology for producing three-dimensional (3D) biological structures composed of living cells and hydrogel in vitro, via the direct and accurate printing of cells with an inkjet printing system. Various hydrogel structures were constructed with our custom-made inkjet printer, which we termed 3D bioprinter. In the present study, we used an alginate hydrogel that was obtained through the reaction of a sodium alginate solution with a calcium chloride solution. For the construction of the gel structure, sodium alginate solution was ejected from the inkjet nozzle (SEA-Jet, Seiko Epson Corp., Suwa, Japan) and was mixed with a substrate composed of a calcium chloride solution. In our 3D bioprinter, the nozzle head can be moved in three dimensions. Owing to the development of the 3D bioprinter, an innovative fabrication method that enables the gentle and precise fixation of 3D gel structures was established using living cells as a material. To date, several 3D structures that include living cells have been fabricated, including lines, planes, laminated structures, and tubes, and now, experiments to construct various hydrogel structures are being carried out in our laboratory.

New hybrid lead iodides: From one-dimensional chain to two-dimensional layered perovskite structure

NASA Astrophysics Data System (ADS)

Xiong, Kecai; Liu, Wei; Teat, Simon J.; An, Litao; Wang, Hao; Emge, Thomas J.; Li, Jing

2015-10-01

Two new hybrid lead halides (H2BDA)[PbI4] (1) (H2BDA=1,4-butanediammonium dication) and (HNPEIM)[PbI3] (2) (HNPEIM=N-​phenyl-ethanimidamidine cation) have been synthesized and structurally characterized. X-ray diffraction analyses reveal that compound 1 features a two-dimensional corner-sharing perovskite layer whereas compound 2 contains one-dimensional edge-sharing double chains. The N-​phenyl-ethanimidamidine cation within compound 2 was generated in-situ under solvothermal conditions. The optical absorption spectra collected at room temperature suggest that both compounds are semiconductors having direct band gaps, with estimated values of 2.64 and 2.73 eV for 1 and 2, respectively. Results from the density functional theory (DFT) calculations are consistent with the experimental data. Density of states (DOS) analysis reveals that in both compounds 1 and 2, the energy states in the valence band maximum region are iodine 5p atomic orbitals with a small contribution from lead 6s, while in the region of conduction band minimum, the major contributions are from the inorganic (Pb 6p atomic orbitals) and organic components (C and N 2p atomic orbitals) in compound 1 and 2, respectively.

Fermion masses and mixing in general warped extra dimensional models

NASA Astrophysics Data System (ADS)

Frank, Mariana; Hamzaoui, Cherif; Pourtolami, Nima; Toharia, Manuel

2015-06-01

We analyze fermion masses and mixing in a general warped extra dimensional model, where all the Standard Model (SM) fields, including the Higgs, are allowed to propagate in the bulk. In this context, a slightly broken flavor symmetry imposed universally on all fermion fields, without distinction, can generate the full flavor structure of the SM, including quarks, charged leptons and neutrinos. For quarks and charged leptons, the exponential sensitivity of their wave functions to small flavor breaking effects yield hierarchical masses and mixing as it is usual in warped models with fermions in the bulk. In the neutrino sector, the exponential wave-function factors can be flavor blind and thus insensitive to the small flavor symmetry breaking effects, directly linking their masses and mixing angles to the flavor symmetric structure of the five-dimensional neutrino Yukawa couplings. The Higgs must be localized in the bulk and the model is more successful in generalized warped scenarios where the metric background solution is different than five-dimensional anti-de Sitter (AdS5 ). We study these features in two simple frameworks, flavor complimentarity and flavor democracy, which provide specific predictions and correlations between quarks and leptons, testable as more precise data in the neutrino sector becomes available.

Structural and opto-electronic properties of 2D AlSb monolayer

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

Singh, Deobrat, E-mail: deobratsingh9@gmail.com; Sonvane, Yogesh; Gupta, Sanjeev K.

2016-05-23

We have investigated dielectric function related optical properties such as refractive index, absorption coefficient of two-dimensional hexagonal system of aluminum antimony (AlSb). We have also find structural and electronic properties of AlSb which show direct/indirect band gap with planar structure, employing the density functional theory using the generalized gradient approximation (GGA) given by Perdew-Burke-Ernzerhof (PBE) functional for exchange-correlation potential. The refractive index n(ω) increases with frequency in the near infrared region but in visible region n(ω) increasing after decrease.

Resonant tunneling in GaAs/Al xGa 1-xAs superlattices with aperiodic potential profiles

NASA Astrophysics Data System (ADS)

Djelti, R.; Aziz, Z.; Bentata, S.; Besbes, A.

2011-12-01

Using the exact Airy function formalism and the transfer-matrix technique, we have numerically investigated in this paper the effect of intentional correlations in spatial disorder on transmission properties of one-dimensional superlattices. Such systems consist of two different structures randomly distributed along the growth direction, with the additional constraint that barriers (wells) of one kind always appear in triply. It is shown that the intentional correlations in disorder and superlattices structural parameters are responsible to obtain resonant tunneling in aperiodic structure.

High resolution structural characterization of giant magnetoresistance structures containing a nano-oxide layer

NASA Astrophysics Data System (ADS)

You, C. Y.; Cerezo, A.; Clifton, P. H.; Folks, L.; Carey, M. J.; Petford-Long, A. K.

2007-07-01

The microstructure and chemistry of a current-perpendicular-to-plane giant magnetoresistance structure containing a nano-oxide layer (NOL) have been studied using a combination of high resolution transmission electron microscopy and three-dimensional atom probe analysis. It was found that the morphology of the NOL changes from a planar layer to discrete particles on annealing, indicating the dominance of surface energy on the morphology evolution. Direct evidence was obtained for significant Mn diffusion from the IrMn antiferromagnetic layer and partitioning to the oxide region during annealing.

High Resolution Crystal Structure of the Catalytic Domain of ADAMTS-5 (Aggrecanase-2)

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

Shieh, Huey-Sheng; Mathis, Karl J.; Williams, Jennifer M.

Aggrecanase-2 (a disintegrin and metalloproteinase with thrombospondin motifs-5 (ADAMTS-5)), a member of the ADAMTS protein family, is critically involved in arthritic diseases because of its direct role in cleaving the cartilage component aggrecan. The catalytic domain of aggrecanase-2 has been refolded, purified, and crystallized, and its three-dimensional structure determined to 1.4{angstrom} resolution in the presence of an inhibitor. A high resolution structure of an ADAMTS/aggrecanase protein provides an opportunity for the development of therapeutics to treat osteoarthritis.

Peptide-directed self-assembly of hydrogels

PubMed Central

Kopeček, Jindřich; Yang, Jiyuan

2009-01-01

This review focuses on the self-assembly of macromolecules mediated by the biorecognition of peptide/protein domains. Structures forming α-helices and β-sheets have been used to mediate self-assembly into hydrogels of peptides, reactive copolymers and peptide motifs, block copolymers, and graft copolymers. Structural factors governing the self-assembly of these molecules into precisely defined three-dimensional structures (hydrogels) are reviewed. The incorporation of peptide motifs into hybrid systems, composed of synthetic and natural macromolecules, enhances design opportunities for new biomaterials when compared to individual components. PMID:18952513

Formation of a three-dimensional plasma boundary after decay of the plasma response to resonant magnetic perturbation fields

NASA Astrophysics Data System (ADS)

Schmitz, O.; Evans, T. E.; Fenstermacher, M. E.; Lanctot, M. J.; Lasnier, C. L.; Mordijck, S.; Moyer, R. A.; Reimerdes, H.; the DIII-D Team

2014-01-01

First time experimental evidence is presented for a direct link between the decay of a n = 3 plasma response and the formation of a three-dimensional (3D) plasma boundary. We inspect a lower single-null L-mode plasma which first reacts at sufficiently high rotation with an ideal resonant screening response to an external toroidal mode number n = 3 resonant magnetic perturbation field. Decay of this response due to reduced bulk plasma rotation changes the plasma state considerably. Signatures such as density pump out and a spin up of the edge rotation—which are usually connected to formation of a stochastic boundary—are detected. Coincident, striation of the divertor single ionized carbon emission and a 3D emission structure in double ionized carbon at the separatrix is seen. The striated C II pattern follows in this stage the perturbed magnetic footprint modelled without a plasma response (vacuum approach). This provides for the first time substantial experimental evidence, that a 3D plasma boundary with direct impact on the divertor particle flux pattern is formed as soon as the internal plasma response decays. The resulting divertor structure follows the vacuum modelled magnetic field topology. However, the inward extension of the perturbed boundary layer can still not directly be determined from these measurements.

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.

Experimental two-dimensional quantum walk on a photonic chip

PubMed Central

Lin, Xiao-Feng; Feng, Zhen; Chen, Jing-Yuan; Gao, Jun; Sun, Ke; Wang, Chao-Yue; Lai, Peng-Cheng; Xu, Xiao-Yun; Wang, Yao; Qiao, Lu-Feng; Yang, Ai-Lin

2018-01-01

Quantum walks, in virtue of the coherent superposition and quantum interference, have exponential superiority over their classical counterpart in applications of quantum searching and quantum simulation. The quantum-enhanced power is highly related to the state space of quantum walks, which can be expanded by enlarging the photon number and/or the dimensions of the evolution network, but the former is considerably challenging due to probabilistic generation of single photons and multiplicative loss. We demonstrate a two-dimensional continuous-time quantum walk by using the external geometry of photonic waveguide arrays, rather than the inner degree of freedoms of photons. Using femtosecond laser direct writing, we construct a large-scale three-dimensional structure that forms a two-dimensional lattice with up to 49 × 49 nodes on a photonic chip. We demonstrate spatial two-dimensional quantum walks using heralded single photons and single photon–level imaging. We analyze the quantum transport properties via observing the ballistic evolution pattern and the variance profile, which agree well with simulation results. We further reveal the transient nature that is the unique feature for quantum walks of beyond one dimension. An architecture that allows a quantum walk to freely evolve in all directions and at a large scale, combining with defect and disorder control, may bring up powerful and versatile quantum walk machines for classically intractable problems. PMID:29756040

Experimental two-dimensional quantum walk on a photonic chip.

PubMed

Tang, Hao; Lin, Xiao-Feng; Feng, Zhen; Chen, Jing-Yuan; Gao, Jun; Sun, Ke; Wang, Chao-Yue; Lai, Peng-Cheng; Xu, Xiao-Yun; Wang, Yao; Qiao, Lu-Feng; Yang, Ai-Lin; Jin, Xian-Min

2018-05-01

Quantum walks, in virtue of the coherent superposition and quantum interference, have exponential superiority over their classical counterpart in applications of quantum searching and quantum simulation. The quantum-enhanced power is highly related to the state space of quantum walks, which can be expanded by enlarging the photon number and/or the dimensions of the evolution network, but the former is considerably challenging due to probabilistic generation of single photons and multiplicative loss. We demonstrate a two-dimensional continuous-time quantum walk by using the external geometry of photonic waveguide arrays, rather than the inner degree of freedoms of photons. Using femtosecond laser direct writing, we construct a large-scale three-dimensional structure that forms a two-dimensional lattice with up to 49 × 49 nodes on a photonic chip. We demonstrate spatial two-dimensional quantum walks using heralded single photons and single photon-level imaging. We analyze the quantum transport properties via observing the ballistic evolution pattern and the variance profile, which agree well with simulation results. We further reveal the transient nature that is the unique feature for quantum walks of beyond one dimension. An architecture that allows a quantum walk to freely evolve in all directions and at a large scale, combining with defect and disorder control, may bring up powerful and versatile quantum walk machines for classically intractable problems.

Unveiling One-Dimensional Supramolecular Structures Formed through π-π Stacking of Phenothiazines by Differential Pulse Voltammetry.

PubMed

Carvalho, Fernando R; Zampieri, Eduardo H; Caetano, Wilker; Silva, Rafael

2017-05-19

Organic-based nanomaterials can be self-assembled by strong and directional intermolecular forces such as π-π interactions. Experimental information about the stability, size, and geometry of the formed structures is very limited for species that easily aggregate, even at very low concentrations. Differential pulse voltammetry (DPV) can unveil the formation, growth, and also the stability window of ordered, one-dimensional, lamellar self-aggregates formed by supramolecular π stacking of phenothiazines at micromolar (10 -6  mol L -1 ) concentrations. The self-diffusion features of the species at different concentrations are determined by DPV and used to probe the π staking process through the concept of the frictional resistance. It is observed that toluidine blue and methylene blue start to self-aggregate around 9 μmol L -1 , and that the self-aggregation process occurs by one-dimensional growth as the concentration of the phenothiazines is increased up to around 170 μmol L -1 for toluidine blue and 200 μmol L -1 for methylene blue. At higher concentrations, the aggregation process leads to structures with lower anisometry. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electronic properties of one-dimensional nanostructures of the Bi2Se3 topological insulator

NASA Astrophysics Data System (ADS)

Virk, Naunidh; Autès, Gabriel; Yazyev, Oleg V.

2018-04-01

We theoretically study the electronic structure and spin properties of one-dimensional nanostructures of the prototypical bulk topological insulator Bi2Se3 . Realistic models of experimentally observed Bi2Se3 nanowires and nanoribbons are considered using the tight-binding method. At low energies, the band structures are composed of a series of evenly spaced degenerate subbands resulting from circumferential confinement of the topological surface states. The direct band gaps due to the nontrivial π Berry phase show a clear dependence on the circumference. The spin-momentum locking of the topological surface states results in a pronounced 2 π spin rotation around the circumference with the degree of spin polarization dependent on the momentum along the nanostructure. Overall, the band structures and spin textures are more complicated for nanoribbons, which expose two distinct facets. The effects of reduced dimensionality are rationalized with the help of a simple model that considers circumferential quantization of the topological surface states. Furthermore, the surface spin density induced by an electric current along the nanostructure shows a pronounced oscillatory dependence on the charge-carrier energy, which can be exploited in spintronics applications.

Direct and conceptual replications of the taxometric analysis of type a behavior.

PubMed

Wilmot, Michael P; Haslam, Nick; Tian, Jingyuan; Ones, Deniz S

2018-05-17

We present direct and conceptual replications of the influential taxometric analysis of Type A Behavior (TAB; Strube, 1989), which reported evidence for the latent typology of the construct. Study 1, the direct replication (N = 2,373), duplicated sampling and methodological procedures of the original study, but results showed that the item indicators used in the original study lacked sufficient validity to unambiguously determine latent structure. Using improved factorial subscale indicators to further test the question, multiple taxometric procedures, in combination with parallel analyses of simulated data, failed to replicate the original typological finding. Study 2, the conceptual replication, tested the latent structure of the wider construct of TAB using the sample from the Caerphilly Prospective Study (N = 2,254), which contains responses to the three most widely used self-report measures of TAB: the Jenkins Activity Survey, Bortner scale, and Framingham scale. Factorial subscale indicators were derived from the measures and submitted to multiple taxometric procedures. Results of Study 2 converged with those of Study 1, providing clear evidence of latent dimensional structure. Overall, results suggest there is no evidence for the type in TAB. Findings imply that theoretical models of TAB, assessment practices, and data analytic procedures that assume a typology should be replaced by dimensional models, factorial subscale measures, and corresponding statistical approaches. Specific subscale measures that tap multiple Big Five trait domains, and show evidence of predictive utility, are also recommended. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Synthesis and Structural Characterization of a CHA-type AlPO4 Molecular Sieve with Penta-Coordinated Framework Aluminum Atoms.

PubMed

Park, Gi Tae; Jo, Donghui; Ahn, Nak Ho; Cho, Jung; Hong, Suk Bong

2017-07-17

The structure-directing effects of a series of polymethylimidazolium cations with different numbers of methyl groups as organic structure-directing agents (OSDAs) in the synthesis of aluminophosphate (AlPO 4 )-based molecular sieves in both fluoride and hydroxide media are investigated. On the one hand, among the OSDAs studied here, the smallest 1,3-dimethylimidazolium and the largest 1,2,3,4,5-pentamethylimidazolium cations were found to direct the synthesis of a new variant of the triclinic chabazite (CHA)-type AlPO 4 material, designated AlPO 4 -34(t) V , and the one-dimensional small-pore silicoaluminophosphate (SAPO) molecular sieve STA-6 in hydroxide media, respectively. On the other hand, the intermediate-sized 1,2,3,4-tetramethylimidazolium cation gave SSZ-51, a two-dimensional large-pore SAPO material, in fluoride media. Synchrotron powder X-ray diffraction and Rietveld analyses reveal that as-made AlPO 4 -34(t) V contains penta-coordinated framework Al species connected by hydroxyl groups, as well as tetrahedral framework Al, which contrasts with the distortions arising from the two F - or OH - bridges between octahedral Al atoms in all already known AlPO 4 -34 materials. The presence of Al-OH-Al linkages in this triclinic AlPO 4 -34 molecular sieve has been further corroborated by thermal analysis, variable-temperature IR,27Al magic-angle spinning NMR, and dispersion-corrected density functional theory calculations.

Non-reciprocal elastic wave propagation in 2D phononic membranes with spatiotemporally varying material properties

NASA Astrophysics Data System (ADS)

Attarzadeh, M. A.; Nouh, M.

2018-05-01

One-dimensional phononic materials with material fields traveling simultaneously in space and time have been shown to break elastodynamic reciprocity resulting in unique wave propagation features. In the present work, a comprehensive mathematical analysis is presented to characterize and fully predict the non-reciprocal wave dispersion in two-dimensional space. The analytical dispersion relations, in the presence of the spatiotemporal material variations, are validated numerically using finite 2D membranes with a prescribed number of cells. Using omnidirectional excitations at the membrane's center, wave propagations are shown to exhibit directional asymmetry that increases drastically in the direction of the material travel and vanishes in the direction perpendicular to it. The topological nature of the predicted dispersion in different propagation directions are evaluated using the computed Chern numbers. Finally, the degree of the 2D non-reciprocity is quantified using a non-reciprocity index (NRI) which confirms the theoretical dispersion predictions as well as the finite simulations. The presented framework can be extended to plate-type structures as well as 3D spatiotemporally modulated phononic crystals.

Three-dimensional integration of microoptical components buried inside photosensitive glass by femtosecond laser direct writing

NASA Astrophysics Data System (ADS)

Wang, Zhongke; Sugioka, Koji; Midorikawa, Katsumi

2007-12-01

We report the three-dimensional (3D) integration of microoptical components such as microlenses, micromirrors and optical waveguides in a single glass chip by femtosecond (fs) laser direct writing. First, two types of microoptical lenses were fabricated inside photosensitive Foturan glass by forming hollow microstructures using fs laser direct writing followed by thermal treatment, successive wet etching and additional annealing. One type of lens is the cylindrical microlens with a curvature radius R of 1.0 mm, and the other is the plano-convex microlens with radius R of 0.75 mm. Subsequently, by the continuous procedure of hollow microstructure fabrication, a micromirror was integrated with the plano-convex microlens in the single glass chip. Further integration of waveguides was performed by internal refractive index modification using fs laser direct writing after the hollow structure fabrication of the microlens and the micromirror. A demonstration of the laser beam transmission in the integrated optical microdevice shows that the 3D integration of waveguides with a micromirror and a microoptical lens in a single glass chip is highly effective for light beam guiding and focusing.

Method of fabricating free-form, high-aspect ratio components for high-current, high-speed microelectrics

DOEpatents

Maxwell, James L; Rose, Chris R; Black, Marcie R; Springer, Robert W

2014-03-11

Microelectronic structures and devices, and method of fabricating a three-dimensional microelectronic structure is provided, comprising passing a first precursor material for a selected three-dimensional microelectronic structure into a reaction chamber at temperatures sufficient to maintain said precursor material in a predominantly gaseous state; maintaining said reaction chamber under sufficient pressures to enhance formation of a first portion of said three-dimensional microelectronic structure; applying an electric field between an electrode and said microelectronic structure at a desired point under conditions whereat said first portion of a selected three-dimensional microelectronic structure is formed from said first precursor material; positionally adjusting either said formed three-dimensional microelectronic structure or said electrode whereby further controlled growth of said three-dimensional microelectronic structure occurs; passing a second precursor material for a selected three-dimensional microelectronic structure into a reaction chamber at temperatures sufficient to maintain said precursor material in a predominantly gaseous state; maintaining said reaction chamber under sufficient pressures whereby a second portion of said three-dimensional microelectronic structure formation is enhanced; applying an electric field between an electrode and said microelectronic structure at a desired point under conditions whereat said second portion of a selected three-dimensional microelectronic structure is formed from said second precursor material; and, positionally adjusting either said formed three-dimensional microelectronic structure or said electrode whereby further controlled growth of said three-dimensional microelectronic structure occurs.

One-dimensional rigid film acoustic metamaterials

NASA Astrophysics Data System (ADS)

Ma, Fuyin; Wu, Jiu Hui; Huang, Meng

2015-11-01

We have designed a 1D film-type acoustic metamaterial structure consisting of several polymer films directly stacked on each other. It is experimentally revealed that the mass density law can be broken by such structures in the low frequency range. By comparing the sound transmission loss (STL) curves of structures with different numbers of cycles, materials and incident sound directions, several physical properties of the 1D film-type acoustic metamaterial are revealed, which consist of cyclical effects, surface effects and orientation effects. It is suggested that the excellent low frequency sound insulation capacity is influenced by both the cycle number and the stiffness of the film surface. Meanwhile, the surface effect plays a dominant role among these physical properties. Due to the surface acoustic property, for structures with a particular combination form, the STL dominated by the cyclical effects may reach saturation with increasing number of construction periods. Moreover, in some cases, the sound insulation ability is diverse for different sound incidence directions. This kind of 1D film-type periodic structure with these special physical properties provides a new concept for the regulation of sound waves.

Accelerated High-Dimensional MR Imaging with Sparse Sampling Using Low-Rank Tensors

PubMed Central

He, Jingfei; Liu, Qiegen; Christodoulou, Anthony G.; Ma, Chao; Lam, Fan

2017-01-01

High-dimensional MR imaging often requires long data acquisition time, thereby limiting its practical applications. This paper presents a low-rank tensor based method for accelerated high-dimensional MR imaging using sparse sampling. This method represents high-dimensional images as low-rank tensors (or partially separable functions) and uses this mathematical structure for sparse sampling of the data space and for image reconstruction from highly undersampled data. More specifically, the proposed method acquires two datasets with complementary sampling patterns, one for subspace estimation and the other for image reconstruction; image reconstruction from highly undersampled data is accomplished by fitting the measured data with a sparsity constraint on the core tensor and a group sparsity constraint on the spatial coefficients jointly using the alternating direction method of multipliers. The usefulness of the proposed method is demonstrated in MRI applications; it may also have applications beyond MRI. PMID:27093543

Numerical method for solution of systems of non-stationary spatially one-dimensional nonlinear differential equations

NASA Technical Reports Server (NTRS)

Morozov, S. K.; Krasitskiy, O. P.

1978-01-01

A computational scheme and a standard program is proposed for solving systems of nonstationary spatially one-dimensional nonlinear differential equations using Newton's method. The proposed scheme is universal in its applicability and its reduces to a minimum the work of programming. The program is written in the FORTRAN language and can be used without change on electronic computers of type YeS and BESM-6. The standard program described permits the identification of nonstationary (or stationary) solutions to systems of spatially one-dimensional nonlinear (or linear) partial differential equations. The proposed method may be used to solve a series of geophysical problems which take chemical reactions, diffusion, and heat conductivity into account, to evaluate nonstationary thermal fields in two-dimensional structures when in one of the geometrical directions it can take a small number of discrete levels, and to solve problems in nonstationary gas dynamics.

3-dimensional free standing micro-structures by proton beam writing of Su 8-silver nanoParticle polymeric composite

NASA Astrophysics Data System (ADS)

Igbenehi, H.; Jiguet, S.

2012-09-01

Proton beam lithography a maskless direct-write lithographic technique (well suited for producing 3-Dimensional microstructures in a range of resist and semiconductor materials) is demonstrated as an effective tool in the creation of electrically conductive freestanding micro-structures in an Su 8 + Nano Silver polymer composite. The structures produced show non-ohmic conductivity and fit the percolation theory conduction model of tunneling of separated nanoparticles. Measurements show threshold switching and a change in conductivity of at least 4 orders of magnitude. The predictable range of protons in materials at a given energy is exploited in the creation of high aspect ratio, free standing micro-structures, made from a commercially available SU8 Silver nano-composite (GMC3060 form Gersteltec Inc. a negative tone photo-epoxy with added metallic nano-particles(Silver)) to create films with enhanced electrical properties when exposed and cured. Nano-composite films are directly written on with a finely focused MeV accelerated Proton particle beam. The energy loss of the incident proton beams in the target polymer nano- composite film is concentrated at the end of its range, where damage occurs; changing the chemistry of the nano-composite film via an acid initiated polymerization - creating conduction paths. Changing the energy of the incident beams provide exposed regions with different penetration and damage depth - exploited in the demonstrated cantilever microstructure.

In-plane, commensurate GaN/AlN junctions: single-layer composite structures, multiple quantum wells and quantum dots

NASA Astrophysics Data System (ADS)

Durgun, Engin; Onen, Abdullatif; Kecik, Deniz; Ciraci, Salim

In-plane composite structures constructed of the stripes or core/shells of single-layer GaN and AlN, which are joined commensurately display diversity of electronic properties, that can be tuned by the size of their constituents. In heterostructures, the dimensionality of electrons change from 2D to 1D upon their confinements in wide constituent stripes leading to the type-I band alignment and hence multiple quantum well structure in the direct space. The δ-doping of one wide stripe by other narrow stripe results in local narrowing or widening of the band gap. The direct-indirect transition of the fundamental band gap of composite structures can be attained depending on the odd or even values of formula unit in the armchair edged heterojunction. In a patterned array of GaN/AlN core/shells, the dimensionality of the electronic states are reduced from 2D to 0D forming multiple quantum dots in large GaN-cores, while 2D electrons propagate in multiply connected AlN shell as if they are in a supercrystal. These predictions are obtained from first-principles calculations based on density functional theory on single-layer GaN and AlN compound semiconductors which were synthesized recently. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No 115F088.

Stress orientation and fracturing during three-dimensional buckling: Numerical simulation and application to chocolate-tablet structures in folded turbidites, SW Portugal

NASA Astrophysics Data System (ADS)

Reber, J. E.; Schmalholz, S. M.; Burg, J.-P.

2010-10-01

Two orthogonal sets of veins, both orthogonal to bedding, form chocolate tablet structures on the limbs of folded quartzwackes of Carboniferous turbidites in SW Portugal. Structural observations suggest that (1) mode 1 fractures transverse to the fold axes formed while fold amplitudes were small and limbs were under layer-subparallel compression and (2) mode 1 fractures parallel to the fold axes formed while fold amplitudes were large and limbs were brought to be under layer-subparallel tension. We performed two- and three-dimensional numerical simulations investigating the evolution of stress orientations during viscous folding to test whether and how these two successive sets of fractures were related to folding. We employed ellipses and ellipsoids for the visualization and quantification of the local stress field. The numerical simulations show a change in the orientation of the local σ1 direction by almost 90° with respect to the bedding plane in the fold limbs. The coeval σ3 direction rotates from parallel to the fold axis at low fold amplitudes to orthogonal to the fold axis at high fold amplitudes. The stress orientation changes faster in multilayers than in single-layers. The numerical simulations are consistent with observation and provide a mechanical interpretation for the formation of the chocolate tablet structures through consecutive sets of fractures on rotating limbs of folded competent layers.

Localized Pulsed Electrodeposition Process for Three-Dimensional Printing of Nanotwinned Metallic Nanostructures.

PubMed

Daryadel, Soheil; Behroozfar, Ali; Morsali, S Reza; Moreno, Salvador; Baniasadi, Mahmoud; Bykova, Julia; Bernal, Rodrigo A; Minary-Jolandan, Majid

2018-01-10

Nanotwinned-metals (nt-metals) offer superior mechanical (high ductility and strength) and electrical (low electromigration) properties compared to their nanocrystalline (nc) counterparts. These properties are advantageous in particular for applications in nanoscale devices. However, fabrication of nt-metals has been limited to films (two-dimensional) or template-based (one-dimensional) geometries, using various chemical and physical processes. In this Letter, we demonstrate the ambient environment localized pulsed electrodeposition process for direct printing of three-dimensional (3D) freestanding nanotwinned-Copper (nt-Cu) nanostructures. 3D nt-Cu structures were additively manufactured using pulsed electrodeposition at the tip of an electrolyte-containing nozzle. Focused ion beam (FIB) and transmission electron microscopy (TEM) analysis revealed that the printed metal was fully dense, and was mostly devoid of impurities and microstructural defects. FIB and TEM images also revealed nanocrystalline-nanotwinned-microstructure (nc-nt-microstructure), and confirmed the formation of coherent twin boundaries in the 3D-printed Cu. Mechanical properties of the 3D-printed nc-nt-Cu were characterized by direct printing (FIB-less) of micropillars for in situ SEM microcompression experiments. The 3D-printed nc-nt-Cu exhibited a flow stress of over 960 MPa, among the highest ever reported, which is remarkable for a 3D-printed material. The microstructure and mechanical properties of the nc-nt-Cu were compared to those of nc-Cu printed using the same process under direct current (DC) voltage.

Micro-Masonry: Construction of 3D Structures by Mesoscale Self-Assembly

PubMed Central

Fernandez, Javier G.; Khademhosseini, Ali

2010-01-01

A general method for construction of three dimensional structures by directed assembly of microscale polymeric sub-units is presented. Shape-controlled microgels are directed to assemble into different shapes by limiting their movement onto a molded substrate. The capillary forces, resulting from the presence of a liquid polymer, assemble the microgels in close contact with the rest of the units and with the free surface, the latter imposing the final geometry of the resulting construct. The result is a freestanding structure composed of one or multiple layers of sub-units assembled in a tightly packed conformation. The applicability of the technique for the construction of scaffolds with cell-laden sub-units is demonstrated. In addition, scaffolds formed by the sequential aggregation of sub-units are produced. PMID:20440697

Topological and trivial magnetic oscillations in nodal loop semimetals

NASA Astrophysics Data System (ADS)

Oroszlány, László; Dóra, Balázs; Cserti, József; Cortijo, Alberto

2018-05-01

Nodal loop semimetals are close descendants of Weyl semimetals and possess a topologically dressed band structure. We argue by combining the conventional theory of magnetic oscillation with topological arguments that nodal loop semimetals host coexisting topological and trivial magnetic oscillations. These originate from mapping the topological properties of the extremal Fermi surface cross sections onto the physics of two dimensional semi-Dirac systems, stemming from merging two massless Dirac cones. By tuning the chemical potential and the direction of magnetic field, a sharp transition is identified from purely trivial oscillations, arising from the Landau levels of a normal two dimensional (2D) electron gas, to a phase where oscillations of topological and trivial origin coexist, originating from 2D massless Dirac and semi-Dirac points, respectively. These could in principle be directly identified in current experiments.

Visualizing the BEC-BCS crossover in a two-dimensional Fermi gas: Pairing gaps and dynamical response functions from ab initio computations

NASA Astrophysics Data System (ADS)

Vitali, Ettore; Shi, Hao; Qin, Mingpu; Zhang, Shiwei

2017-12-01

Experiments with ultracold atoms provide a highly controllable laboratory setting with many unique opportunities for precision exploration of quantum many-body phenomena. The nature of such systems, with strong interaction and quantum entanglement, makes reliable theoretical calculations challenging. Especially difficult are excitation and dynamical properties, which are often the most directly relevant to experiment. We carry out exact numerical calculations, by Monte Carlo sampling of imaginary-time propagation of Slater determinants, to compute the pairing gap in the two-dimensional Fermi gas from first principles. Applying state-of-the-art analytic continuation techniques, we obtain the spectral function and the density and spin structure factors providing unique tools to visualize the BEC-BCS crossover. These quantities will allow for a direct comparison with experiments.

Method of assembly of molecular-sized nets and scaffolding

DOEpatents

Michl, Josef; Magnera, Thomas F.; David, Donald E.; Harrison, Robin M.

1999-01-01

The present invention relates to methods and starting materials for forming molecular-sized grids or nets, or other structures based on such grids and nets, by creating molecular links between elementary molecular modules constrained to move in only two directions on an interface or surface by adhesion or bonding to that interface or surface. In the methods of this invention, monomers are employed as the building blocks of grids and more complex structures. Monomers are introduced onto and allowed to adhere or bond to an interface. The connector groups of adjacent adhered monomers are then polymerized with each other to form a regular grid in two dimensions above the interface. Modules that are not bound or adhered to the interface are removed prior to reaction of the connector groups to avoid undesired three-dimensional cross-linking and the formation of non-grid structures. Grids formed by the methods of this invention are useful in a variety of applications, including among others, for separations technology, as masks for forming regular surface structures (i.e., metal deposition) and as templates for three-dimensional molecular-sized structures.

Concurrent optimization of material spatial distribution and material anisotropy repartition for two-dimensional structures

NASA Astrophysics Data System (ADS)

Ranaivomiarana, Narindra; Irisarri, François-Xavier; Bettebghor, Dimitri; Desmorat, Boris

2018-04-01

An optimization methodology to find concurrently material spatial distribution and material anisotropy repartition is proposed for orthotropic, linear and elastic two-dimensional membrane structures. The shape of the structure is parameterized by a density variable that determines the presence or absence of material. The polar method is used to parameterize a general orthotropic material by its elasticity tensor invariants by change of frame. A global structural stiffness maximization problem written as a compliance minimization problem is treated, and a volume constraint is applied. The compliance minimization can be put into a double minimization of complementary energy. An extension of the alternate directions algorithm is proposed to solve the double minimization problem. The algorithm iterates between local minimizations in each element of the structure and global minimizations. Thanks to the polar method, the local minimizations are solved explicitly providing analytical solutions. The global minimizations are performed with finite element calculations. The method is shown to be straightforward and efficient. Concurrent optimization of density and anisotropy distribution of a cantilever beam and a bridge are presented.

Method of assembly of molecular-sized nets and scaffolding

DOEpatents

Michl, J.; Magnera, T.F.; David, D.E.; Harrison, R.M.

1999-03-02

The present invention relates to methods and starting materials for forming molecular-sized grids or nets, or other structures based on such grids and nets, by creating molecular links between elementary molecular modules constrained to move in only two directions on an interface or surface by adhesion or bonding to that interface or surface. In the methods of this invention, monomers are employed as the building blocks of grids and more complex structures. Monomers are introduced onto and allowed to adhere or bond to an interface. The connector groups of adjacent adhered monomers are then polymerized with each other to form a regular grid in two dimensions above the interface. Modules that are not bound or adhered to the interface are removed prior to reaction of the connector groups to avoid undesired three-dimensional cross-linking and the formation of non-grid structures. Grids formed by the methods of this invention are useful in a variety of applications, including among others, for separations technology, as masks for forming regular surface structures (i.e., metal deposition) and as templates for three-dimensional molecular-sized structures. 9 figs.

From Principal Component to Direct Coupling Analysis of Coevolution in Proteins: Low-Eigenvalue Modes are Needed for Structure Prediction

PubMed Central

Cocco, Simona; Monasson, Remi; Weigt, Martin

2013-01-01

Various approaches have explored the covariation of residues in multiple-sequence alignments of homologous proteins to extract functional and structural information. Among those are principal component analysis (PCA), which identifies the most correlated groups of residues, and direct coupling analysis (DCA), a global inference method based on the maximum entropy principle, which aims at predicting residue-residue contacts. In this paper, inspired by the statistical physics of disordered systems, we introduce the Hopfield-Potts model to naturally interpolate between these two approaches. The Hopfield-Potts model allows us to identify relevant ‘patterns’ of residues from the knowledge of the eigenmodes and eigenvalues of the residue-residue correlation matrix. We show how the computation of such statistical patterns makes it possible to accurately predict residue-residue contacts with a much smaller number of parameters than DCA. This dimensional reduction allows us to avoid overfitting and to extract contact information from multiple-sequence alignments of reduced size. In addition, we show that low-eigenvalue correlation modes, discarded by PCA, are important to recover structural information: the corresponding patterns are highly localized, that is, they are concentrated in few sites, which we find to be in close contact in the three-dimensional protein fold. PMID:23990764

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.

Conformational analysis of an acyclic tetrapeptide: ab-initio structure determination from X-ray powder diffraction, Hirshfeld surface analysis and electronic structure.

PubMed

Das, Uday; Naskar, Jishu; Mukherjee, Alok Kumar

2015-12-01

A terminally protected acyclic tetrapeptide has been synthesized, and the crystal structure of its hydrated form, Boc-Tyr-Aib-Tyr-Ile-OMe·2H2O (1), has been determined directly from powder X-ray diffraction data. The backbone conformation of tetrapeptide (1) exhibiting two consecutive β-turns is stabilized by two 4 → 1 intramolecular N-H · · · O hydrogen bonds. In the crystalline state, the tetrapeptide molecules are assembled through water-mediated O-H · · · O hydrogen bonds to form two-dimensional molecular sheets, which are further linked by intermolecular C-H · · · O hydrogen bonds into a three-dimensional supramolecular framework. The molecular electrostatic potential (MEP) surface of (1) has been used to supplement the crystallographic observations. The nature of intermolecular interactions in (1) has been analyzed quantitatively through the Hirshfeld surface and two-dimensional fingerprint plot. The DFT optimized molecular geometry of (1) agrees closely with that obtained from the X-ray structure analysis. The present structure analysis of Boc-Tyr-Aib-Tyr-Ile-OMe·2H2 O (1) represents a case where ab-initio crystal structure of an acyclic tetrapeptide with considerable molecular flexibility has been accomplished from laboratory X-ray powder diffraction data. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

Quantification of Soil Pore Structure Based on Minkowski-Functions

NASA Astrophysics Data System (ADS)

Vogel, H.; Weller, U.; Schlüter, S.

2009-05-01

The porous structure in soils and other geologic media is typically a complex 3-dimensional object. Most of the physical material properties including mechanical and hydraulic characteristics are immediately linked to this structure which can be directly observed using non-invasive techniques as e.g. X-ray tomography. It is an old dream and still a formidable challenge to related structural features of porous media to their physical properties. In this contribution we present a scale-invariant concept to quantify pore structure based on a limited set of meaningful morphological functions. They are based on d+1 Minkowski functionals as defined for d-dimensional bodies. These basic quantities are determined as a function of pore size obtained by filter procedures using mathematical morphology. The resulting Minkowski functions provide valuable information on pore size, pore surface area and pore topology having the potential to be linked to physical properties. The theoretical background and the related algorithms are presented and the approach is demonstrated for the structure of an arable topsoil obtained by X-ray micro tomography. We also discuss the fundamental problem of limited resolution which is critical for any attempt to quantify structural features at any scale.

Analytical computation of three-dimensional synthetic seismograms by Modal Summation: method, validation and applications

NASA Astrophysics Data System (ADS)

La Mura, Cristina; Gholami, Vahid; Panza, Giuliano F.

2013-04-01

In order to enable realistic and reliable earthquake hazard assessment and reliable estimation of the ground motion response to an earthquake, three-dimensional velocity models have to be considered. The propagation of seismic waves in complex laterally varying 3D layered structures is a complicated process. Analytical solutions of the elastodynamic equations for such types of media are not known. The most common approaches to the formal description of seismic wavefields in such complex structures are methods based on direct numerical solutions of the elastodynamic equations, e.g. finite-difference, finite-element method, and approximate asymptotic methods. In this work, we present an innovative methodology for computing synthetic seismograms, complete of the main direct, refracted, converted phases and surface waves in three-dimensional anelastic models based on the combination of the Modal Summation technique with the Asymptotic Ray Theory in the framework of the WKBJ - approximation. The three - dimensional models are constructed using a set of vertically heterogeneous sections (1D structures) that are juxtaposed on a regular grid. The distribution of these sections in the grid is done in such a way to fulfill the requirement of weak lateral inhomogeneity in order to satisfy the condition of applicability of the WKBJ - approximation, i.e. the lateral gradient of the parameters characterizing the 1D structure has to be small with respect to the prevailing wavelength. The new method has been validated comparing synthetic seismograms with the records available of three different earthquakes in three different regions: Kanto basin (Japan) triggered by the 1990 Odawara earthquake Mw= 5.1, Romanian territory triggered by the 30 May 1990 Vrancea intermediate-depth earthquake Mw= 6.9 and Iranian territory affected by the 26 December 2003 Bam earthquake Mw= 6.6. Besides the advantage of being a useful tool for assessment of seismic hazard and seismic risk reduction, it is characterized by high efficiency, in fact, once the study region is identified and the 3D model is constructed, the computation, at each station, of the three components of the synthetic signal (displacement, velocity, and acceleration) takes less than 3 hours on a 2 GHz CPU.

Localization of PKA Phosphorylation Site, Serine-2030, in the Three-Dimensional Structure of Cardiac Ryanodine Receptor

PubMed Central

Jones, Peter P.; Meng, Xing; Xiao, Bailong; Cai, Shitian; Bolstad, Jeff; Wagenknecht, Terence; Liu, Zheng; Chen, S. R. Wayne

2009-01-01

Protein kinase A (PKA)-dependent phosphorylation of the cardiac Ca2+ release channel/ryanodine receptor (RyR2) is believed to directly dissociate FKBP12.6 from the channel, causing abnormal channel activation and Ca2+ release. To gain insight into the structural basis of the regulation of RyR2 by PKA, we determined the three-dimensional location of the PKA site S2030. Green fluorescent protein (GFP) was inserted into the wild type (wt) RyR2 and RyR2 mutant, A4860G, after T2023. The resultant GFP-RyR2 fusion proteins, RyR2T2023-GFP and RyR2(A4860G)T2023-GFP, were expressed in HEK293 cells and functionally characterized. Ca2+ release assays revealed that both GFP-RyR2 fusion proteins formed caffeine- and ryanodine-sensitive Ca2+ release channels. Further analyses using [3H]ryanodine binding demonstrated that the insertion of GFP into RyR2 wt after T2023 reduced the sensitivity of the channel to activation by Ca2+ or caffeine. RyR2(A4860G)T2023-GFP was found to be structurally more stable than RyR2T2023-GFP and was subsequently used as a basis for three-dimensional reconstruction. Cryo-electron microscopy and single particle image processing of the purified RyR2(A4860G)T2023-GFP protein revealed the location of the inserted GFP, and hence the S2030 PKA site in domain 4, a region that may be involved in signal transduction between the transmembrane and cytoplasmic domains. Like the S2808 PKA site reported previously, the S2030 site is not located close to the FKBP12.6 binding site mapped previously, indicating that neither of these PKA sites is directly involved in FKBP12.6 binding. Based on the three-dimensional localizations of a number of residues or regions, a model for the subunit organization in the structure of RyR2 is proposed. PMID:17967164

Hierarchical meso/macro-porous carbon fabricated from dual MgO templates for direct electron transfer enzymatic electrodes.

PubMed

Funabashi, Hiroto; Takeuchi, Satoshi; Tsujimura, Seiya

2017-03-23

We designed a three-dimensional (3D) hierarchical pore structure to improve the current production efficiency and stability of direct electron transfer-type biocathodes. The 3D hierarchical electrode structure was fabricated using a MgO-templated porous carbon framework produced from two MgO templates with sizes of 40 and 150 nm. The results revealed that the optimal pore composition for a bilirubin oxidase-catalysed oxygen reduction cathode was a mixture of 33% macropores and 67% mesopores (MgOC 33 ). The macropores improve mass transfer inside the carbon material, and the mesopores improve the electron transfer efficiency of the enzyme by surrounding the enzyme with carbon.

Hierarchical meso/macro-porous carbon fabricated from dual MgO templates for direct electron transfer enzymatic electrodes

NASA Astrophysics Data System (ADS)

Funabashi, Hiroto; Takeuchi, Satoshi; Tsujimura, Seiya

2017-03-01

We designed a three-dimensional (3D) hierarchical pore structure to improve the current production efficiency and stability of direct electron transfer-type biocathodes. The 3D hierarchical electrode structure was fabricated using a MgO-templated porous carbon framework produced from two MgO templates with sizes of 40 and 150 nm. The results revealed that the optimal pore composition for a bilirubin oxidase-catalysed oxygen reduction cathode was a mixture of 33% macropores and 67% mesopores (MgOC33). The macropores improve mass transfer inside the carbon material, and the mesopores improve the electron transfer efficiency of the enzyme by surrounding the enzyme with carbon.

High-resolution non-destructive three-dimensional imaging of integrated circuits

NASA Astrophysics Data System (ADS)

Holler, Mirko; Guizar-Sicairos, Manuel; Tsai, Esther H. R.; Dinapoli, Roberto; Müller, Elisabeth; Bunk, Oliver; Raabe, Jörg; Aeppli, Gabriel

2017-03-01

Modern nanoelectronics has advanced to a point at which it is impossible to image entire devices and their interconnections non-destructively because of their small feature sizes and the complex three-dimensional structures resulting from their integration on a chip. This metrology gap implies a lack of direct feedback between design and manufacturing processes, and hampers quality control during production, shipment and use. Here we demonstrate that X-ray ptychography—a high-resolution coherent diffractive imaging technique—can create three-dimensional images of integrated circuits of known and unknown designs with a lateral resolution in all directions down to 14.6 nanometres. We obtained detailed device geometries and corresponding elemental maps, and show how the devices are integrated with each other to form the chip. Our experiments represent a major advance in chip inspection and reverse engineering over the traditional destructive electron microscopy and ion milling techniques. Foreseeable developments in X-ray sources, optics and detectors, as well as adoption of an instrument geometry optimized for planar rather than cylindrical samples, could lead to a thousand-fold increase in efficiency, with concomitant reductions in scan times and voxel sizes.

Spatial solitons and stability in the one-dimensional and the two-dimensional generalized nonlinear Schrödinger equation with fourth-order diffraction and parity-time-symmetric potentials

NASA Astrophysics Data System (ADS)

Tiofack, C. G. L.; Ndzana, F., II; Mohamadou, A.; Kofane, T. C.

2018-03-01

We investigate the existence and stability of solitons in parity-time (PT )-symmetric optical media characterized by a generic complex hyperbolic refractive index distribution and fourth-order diffraction (FOD). For the linear case, we demonstrate numerically that the FOD parameter can alter the PT -breaking points. For nonlinear cases, the exact analytical expressions of the localized modes are obtained both in one- and two-dimensional nonlinear Schrödinger equations with self-focusing and self-defocusing Kerr nonlinearity. The effect of FOD on the stability structure of these localized modes is discussed with the help of linear stability analysis followed by the direct numerical simulation of the governing equation. Examples of stable and unstable solutions are given. The transverse power flow density associated with these localized modes is also discussed. It is found that the relative strength of the FOD coefficient can utterly change the direction of the power flow, which may be used to control the energy exchange among gain or loss regions.

Effects of anisotropy on the two-dimensional inversion procedure

NASA Astrophysics Data System (ADS)

Heise, Wiebke; Pous, Jaume

2001-12-01

In this paper we show some of the effects that appear in magnetotelluric measurements over 2-D anisotropic structures, and propose a procedure to recover the anisotropy using 2-D inversion algorithms for isotropic models. First, we see how anisotropy affects the usual interpretation steps: dimensionality analysis and 2-D inversion. Two models containing general 2-D azimuthal anisotropic features were chosen to illustrate this approach: an anisotropic block and an anisotropic layer, both forming part of general 2-D models. In addition, a third model with dipping anisotropy was studied. For each model we examined the influence of various anisotropy strikes and resistivity contrasts on the dimensionality analysis and on the behaviour of the induction arrows. We found that, when the anisotropy ratio is higher than five, even if the strike is frequency-dependent it is possible to decide on a direction close to the direction of anisotropy. Then, if the data are rotated to this angle, a 2-D inversion reproduces the anisotropy reasonably well by means of macro-anisotropy. This strategy was tested on field data where anisotropy had been previously recognized.

High-resolution non-destructive three-dimensional imaging of integrated circuits.

PubMed

Holler, Mirko; Guizar-Sicairos, Manuel; Tsai, Esther H R; Dinapoli, Roberto; Müller, Elisabeth; Bunk, Oliver; Raabe, Jörg; Aeppli, Gabriel

2017-03-15

Modern nanoelectronics has advanced to a point at which it is impossible to image entire devices and their interconnections non-destructively because of their small feature sizes and the complex three-dimensional structures resulting from their integration on a chip. This metrology gap implies a lack of direct feedback between design and manufacturing processes, and hampers quality control during production, shipment and use. Here we demonstrate that X-ray ptychography-a high-resolution coherent diffractive imaging technique-can create three-dimensional images of integrated circuits of known and unknown designs with a lateral resolution in all directions down to 14.6 nanometres. We obtained detailed device geometries and corresponding elemental maps, and show how the devices are integrated with each other to form the chip. Our experiments represent a major advance in chip inspection and reverse engineering over the traditional destructive electron microscopy and ion milling techniques. Foreseeable developments in X-ray sources, optics and detectors, as well as adoption of an instrument geometry optimized for planar rather than cylindrical samples, could lead to a thousand-fold increase in efficiency, with concomitant reductions in scan times and voxel sizes.

Direct simulations of chemically reacting turbulent mixing layers, part 2

NASA Technical Reports Server (NTRS)

Metcalfe, Ralph W.; Mcmurtry, Patrick A.; Jou, Wen-Huei; Riley, James J.; Givi, Peyman

1988-01-01

The results of direct numerical simulations of chemically reacting turbulent mixing layers are presented. This is an extension of earlier work to a more detailed study of previous three dimensional simulations of cold reacting flows plus the development, validation, and use of codes to simulate chemically reacting shear layers with heat release. Additional analysis of earlier simulations showed good agreement with self similarity theory and laboratory data. Simulations with a two dimensional code including the effects of heat release showed that the rate of chemical product formation, the thickness of the mixing layer, and the amount of mass entrained into the layer all decrease with increasing rates of heat release. Subsequent three dimensional simulations showed similar behavior, in agreement with laboratory observations. Baroclinic torques and thermal expansion in the mixing layer were found to produce changes in the flame vortex structure that act to diffuse the pairing vortices, resulting in a net reduction in vorticity. Previously unexplained anomalies observed in the mean velocity profiles of reacting jets and mixing layers were shown to result from vorticity generation by baroclinic torques.

Laser direct-write for fabrication of three-dimensional paper-based devices.

PubMed

He, P J W; Katis, I N; Eason, R W; Sones, C L

2016-08-16

We report the use of a laser-based direct-write (LDW) technique that allows the design and fabrication of three-dimensional (3D) structures within a paper substrate that enables implementation of multi-step analytical assays via a 3D protocol. The technique is based on laser-induced photo-polymerisation, and through adjustment of the laser writing parameters such as the laser power and scan speed we can control the depths of hydrophobic barriers that are formed within a substrate which, when carefully designed and integrated, produce 3D flow paths. So far, we have successfully used this depth-variable patterning protocol for stacking and sealing of multi-layer substrates, for assembly of backing layers for two-dimensional (2D) lateral flow devices and finally for fabrication of 3D devices. Since the 3D flow paths can also be formed via a single laser-writing process by controlling the patterning parameters, this is a distinct improvement over other methods that require multiple complicated and repetitive assembly procedures. This technique is therefore suitable for cheap, rapid and large-scale fabrication of 3D paper-based microfluidic devices.

One- and Two-dimensional Solitary Wave States in the Nonlinear Kramers Equation with Movement Direction as a Variable

NASA Astrophysics Data System (ADS)

Sakaguchi, Hidetsugu; Ishibashi, Kazuya

2018-06-01

We study self-propelled particles by direct numerical simulation of the nonlinear Kramers equation for self-propelled particles. In our previous paper, we studied self-propelled particles with velocity variables in one dimension. In this paper, we consider another model in which each particle exhibits directional motion. The movement direction is expressed with a variable ϕ. We show that one-dimensional solitary wave states appear in direct numerical simulations of the nonlinear Kramers equation in one- and two-dimensional systems, which is a generalization of our previous result. Furthermore, we find two-dimensionally localized states in the case that each self-propelled particle exhibits rotational motion. The center of mass of the two-dimensionally localized state exhibits circular motion, which implies collective rotating motion. Finally, we consider a simple one-dimensional model equation to qualitatively understand the formation of the solitary wave state.

Three-dimensional liver motion tracking using real-time two-dimensional MRI

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

Brix, Lau, E-mail: lau.brix@stab.rm.dk; Ringgaard, Steffen; Sørensen, Thomas Sangild

2014-04-15

Purpose: Combined magnetic resonance imaging (MRI) systems and linear accelerators for radiotherapy (MR-Linacs) are currently under development. MRI is noninvasive and nonionizing and can produce images with high soft tissue contrast. However, new tracking methods are required to obtain fast real-time spatial target localization. This study develops and evaluates a method for tracking three-dimensional (3D) respiratory liver motion in two-dimensional (2D) real-time MRI image series with high temporal and spatial resolution. Methods: The proposed method for 3D tracking in 2D real-time MRI series has three steps: (1) Recording of a 3D MRI scan and selection of a blood vessel (ormore » tumor) structure to be tracked in subsequent 2D MRI series. (2) Generation of a library of 2D image templates oriented parallel to the 2D MRI image series by reslicing and resampling the 3D MRI scan. (3) 3D tracking of the selected structure in each real-time 2D image by finding the template and template position that yield the highest normalized cross correlation coefficient with the image. Since the tracked structure has a known 3D position relative to each template, the selection and 2D localization of a specific template translates into quantification of both the through-plane and in-plane position of the structure. As a proof of principle, 3D tracking of liver blood vessel structures was performed in five healthy volunteers in two 5.4 Hz axial, sagittal, and coronal real-time 2D MRI series of 30 s duration. In each 2D MRI series, the 3D localization was carried out twice, using nonoverlapping template libraries, which resulted in a total of 12 estimated 3D trajectories per volunteer. Validation tests carried out to support the tracking algorithm included quantification of the breathing induced 3D liver motion and liver motion directionality for the volunteers, and comparison of 2D MRI estimated positions of a structure in a watermelon with the actual positions. Results: Axial, sagittal, and coronal 2D MRI series yielded 3D respiratory motion curves for all volunteers. The motion directionality and amplitude were very similar when measured directly as in-plane motion or estimated indirectly as through-plane motion. The mean peak-to-peak breathing amplitude was 1.6 mm (left-right), 11.0 mm (craniocaudal), and 2.5 mm (anterior-posterior). The position of the watermelon structure was estimated in 2D MRI images with a root-mean-square error of 0.52 mm (in-plane) and 0.87 mm (through-plane). Conclusions: A method for 3D tracking in 2D MRI series was developed and demonstrated for liver tracking in volunteers. The method would allow real-time 3D localization with integrated MR-Linac systems.« less

A comprehensive study on the influence of strength and stiffness eccentricities to the on-plan rotation of asymmetric structure

NASA Astrophysics Data System (ADS)

Rashidi, Azida; Majid, Taksiah A.; Fadzli, M. N.; Faisal, Ade; Noor, Suhaila M.

2017-10-01

All buildings are subjected to some degree of torsion which in turn changes the member torsional demands from that of translation only. Torsional effects on buildings subjected to earthquakes are not found directly in structural analysis unless full three-dimensional inelastic dynamic time history analysis is conducted. Since design is often conducted using two-dimensional analysis, these effects are not directly considered. There is currently an understanding on how different factors may influence torsion, however, the degree to which these factors influence torsion is relatively unknown. Slab rotation effect is considered a major response parameter to represent the severity of the torsional response of eccentric systems; hence, it is considered in this study. The centre of strength (CR) and centre of stiffness (CS) are the two main factors under considerations. A comprehensive analysis on eighty different CR and CS conditions are applied to a three-dimensional, asymmetric building and their influences to slab rotation are observed. The CR/CS conditions are applied by varying strength eccentricities (er) and stiffness eccentricities (es) using two condition models. Then, earthquake ground motions are applied in z-direction under elastic and inelastic conditions. The results interpreted using a simple approach shows important slab rotation behaviour that forms interesting findings from this study. The slab rotation demand is found to reduce as strength eccentricity moves away from the Centre of Mass (CoM) but is independent of the stiffness eccentricity. The study also confirms finding of previous works which states that stiffness eccentricity plays a minor role when assessing the torsional behaviour of a ductile systems. Results from inelastic analysis shows slab rotation demand increases as strength eccentricity is closer to the CoM but it remains constant for elastic analysis.

Two-dimensional finite element heat transfer model of softwood. Part I, Effective thermal conductivity

Treesearch

John F. Hunt; Hongmei Gu

2006-01-01

The anisotropy of wood complicates solution of heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Most heat transfer models use average thermal properties across either the radial or tangential direction and do not differentiate the effects of cellular alignment, earlywood/latewood differences, or...

Modeling flame structure in wildland fires using the one-dimensional turbulence model

Treesearch

David O. Lignell; Elizabeth I. Monson; Mark A. Finney

2010-01-01

The mechanism of flame propagation in wildland fire fuel beds is of critical importance for understanding and quantifying fire spread rates. Recent observations and experiments have indicated the dominance of flame propagation by direct contact between flames and unburnt fuel, as opposed to propagation via radiative heating alone. It is postulated that effects of...

Applied and implied semantics in crystallographic publishing

PubMed Central

2012-01-01

Background Crystallography is a data-rich, software-intensive scientific discipline with a community that has undertaken direct responsibility for publishing its own scientific journals. That community has worked actively to develop information exchange standards allowing readers of structure reports to access directly, and interact with, the scientific content of the articles. Results Structure reports submitted to some journals of the International Union of Crystallography (IUCr) can be automatically validated and published through an efficient and cost-effective workflow. Readers can view and interact with the structures in three-dimensional visualization applications, and can access the experimental data should they wish to perform their own independent structure solution and refinement. The journals also layer on top of this facility a number of automated annotations and interpretations to add further scientific value. Conclusions The benefits of semantically rich information exchange standards have revolutionised the scholarly publishing process for crystallography, and establish a model relevant to many other physical science disciplines. PMID:22932420

Health Disparity and Structural Violence: How Fear Undermines Health Among Immigrants at Risk for Diabetes

PubMed Central

Page-Reeves, Janet; Niforatos, Joshua; Mishra, Shiraz; Regino, Lidia; Gingrich, Andrew; Bulten, Robert

2013-01-01

Diabetes is a national health problem, and the burden of the disease and its consequences particularly affect Hispanics. While social determinants of health models have improved our conceptualization of how certain contexts and environments influence an individual's ability to make healthy choices, a structural violence framework transcends traditional uni-dimensional analysis. Thus, a structural violence approach is capable of revealing dynamics of social practices that operate across multiple dimensions of people's lives in ways that may not immediately appear related to health. Working with a Hispanic immigrant community in Albuquerque, New Mexico, we demonstrate how structural forces simultaneously directly inhibit access to appropriate healthcare services and create fear among immigrants, acting to further undermine health and nurture disparity. Although fear is not normally directly associated with diabetes health outcomes, in the community where we conducted this study participant narratives discussed fear and health as interconnected. PMID:24052924

Metal hierarchical patterning by direct nanoimprint lithography

PubMed Central

Radha, Boya; Lim, Su Hui; Saifullah, Mohammad S. M.; Kulkarni, Giridhar U.

2013-01-01

Three-dimensional hierarchical patterning of metals is of paramount importance in diverse fields involving photonics, controlling surface wettability and wearable electronics. Conventionally, this type of structuring is tedious and usually involves layer-by-layer lithographic patterning. Here, we describe a simple process of direct nanoimprint lithography using palladium benzylthiolate, a versatile metal-organic ink, which not only leads to the formation of hierarchical patterns but also is amenable to layer-by-layer stacking of the metal over large areas. The key to achieving such multi-faceted patterning is hysteretic melting of ink, enabling its shaping. It undergoes transformation to metallic palladium under gentle thermal conditions without affecting the integrity of the hierarchical patterns on micro- as well as nanoscale. A metallic rice leaf structure showing anisotropic wetting behavior and woodpile-like structures were thus fabricated. Furthermore, this method is extendable for transferring imprinted structures to a flexible substrate to make them robust enough to sustain numerous bending cycles. PMID:23446801

Realisation of 3D metamaterial perfect absorber structures by direct laser writing

NASA Astrophysics Data System (ADS)

Fanyaeu, I.; Mizeikis, V.

2017-02-01

We report design, fabrication and optical properties of 3D electromagnetic metamaterial structures applicable as perfect absorbers (PA) at mid infra-red frequencies. PA architecture consisting of single-turn metallic helices arranged in a periodic two-dimensional array enables polarization-invariant perfect absorption within a considerable range of incidence angles. The absorber structure is all-metallic, and in principle does not require metallic ground plane, which permits optical transparency at frequencies away from the PA resonance. The samples were fabricated by preparing their dielectric templates using Direct Laser Write technique in photoresist, and metalisation by gold sputtering. Resonant absorption in excess of 90% was found at the resonant wavelength of 7.7 μm in accordance with numerical modelling. Similar PA structures may prove useful for harvesting and conversion of infrared energy as well as narrow-band thermal emission and detection.

Structure of the Lithosphere-Asthenosphere Boundary Onshore and Offshore the California Continental Margin from Three-Dimensional Seismic Anisotropy

NASA Astrophysics Data System (ADS)

Gomez, C. D.; Escobar, L., Sr.; Rathnayaka, S.; Weeraratne, D. S.; Kohler, M. D.

2016-12-01

The California continental margin, a major transform plate boundary in continental North America, is the locus of complex tectonic stress fields that are important in interpreting both remnant and ongoing deformational strain. Ancient subduction of the East Pacific Rise spreading center, the rotation and translation of tectonic blocks and inception of the San Andreas fault all contribute to the dynamic stress fields located both onshore and offshore southern California. Data obtained by the ALBACORE (Asthenospheric and Lithospheric Broadband Architecture from the California Offshore Region Experiment) and the CISN (California Integrated Seismic Network) seismic array are analyzed for azimuthal anisotropy of Rayleigh waves from 80 teleseismic events at periods 16 - 78 s. Here we invert Rayleigh wave data for shear wave velocity structure and three-dimensional seismic anisotropy in the thee regions designated within the continental margin including the continent, seafloor and California Borderlands. Preliminary results show that seismic anisotropy is resolved in multiple layers and can be used to determine the lithosphere-asthenosphere boundary (LAB) in offshore and continental regions. The oldest seafloor in our study at age 25-35 Ma indicates that the anisotropic transition across the LAB occurs at 73 km +/- 25 km with the lithospheric fast direction oriented WNW-ESE, consistent with current Pacific plate motion direction. The continent region west of the San Andreas indicates similar WNW-ESE anisotropy and LAB depth. Regions east of the San Andreas fault indicate NW-SE anisotropy transitioning to a N-S alignment at 80 km depth north of the Garlock fault. The youngest seafloor (15 - 25 Ma) and outer Borderlands indicate a more complex three layer fabric where shallow lithospheric NE-SW fast directions are perpendicular with ancient Farallon subduction arc, a mid-layer with E-W fast directions are perpendicular to remnant fossil fabric, and the deepest layer indicates NW-SE fast directions below the LAB likely controlled by current Pacific plate motion. The inner Borderland indicates two layer anisotropic structure with a shallow NW-SE lithospheric fast direction that changes to NE-SW fast directions below the LAB, possibly consistent with the ancient subduction direction.

Plate equations for piezoelectrically actuated flexural mode ultrasound transducers.

PubMed

Perçin, Gökhan

2003-01-01

This paper considers variational methods to derive two-dimensional plate equations for piezoelectrically actuated flexural mode ultrasound transducers. In the absence of analytical expressions for the equivalent circuit parameters of a flexural mode transducer, it is difficult to calculate its optimal parameters and dimensions, and to choose suitable materials. The influence of coupling between flexural and extensional deformation, and coupling between the structure and the acoustic volume on the dynamic response of piezoelectrically actuated flexural mode transducer is analyzed using variational methods. Variational methods are applied to derive two-dimensional plate equations for the transducer, and to calculate the coupled electromechanical field variables. In these methods, the variations across the thickness direction vanish by using the stress resultants. Thus, two-dimensional plate equations for a stepwise laminated circular plate are obtained.

Adiabatic invariant analysis of dark and dark-bright soliton stripes in two-dimensional Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Kevrekidis, P. G.; Wang, Wenlong; Carretero-González, R.; Frantzeskakis, D. J.

2018-06-01

In the present work, we develop an adiabatic invariant approach for the evolution of quasi-one-dimensional (stripe) solitons embedded in a two-dimensional Bose-Einstein condensate. The results of the theory are obtained both for the one-component case of dark soliton stripes, as well as for the considerably more involved case of the two-component dark-bright (alias "filled dark") soliton stripes. In both cases, analytical predictions regarding the stability and dynamics of these structures are obtained. One of our main findings is the determination of the instability modes of the waves as a function of the parameters of the system (such as the trap strength and the chemical potential). Our analytical predictions are favorably compared with results of direct numerical simulations.

AUTOGEN

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

2003-05-29

AUTOGEN computes collision-free sequences of robot motion instructions to permit traversal of three-dimensional space curves. Order and direction of curve traversal and orientation of end effector are constraided by a set of manufacturing rules. Input can be provided as a collection of solid models or in terms of wireframe objects and structural cross-section definitions. Entity juxtaposition can be inferred, with appropriate structural features automatically provided. Process control is asserted as a function of position and orientation along each space curve, and is currently implemented for welding processes.

Quantitative Three-Dimensional Characterization of Block Copolymer Directed Self-Assembly on Combined Chemical and Topographical Prepatterned Templates.

PubMed

Segal-Peretz, Tamar; Ren, Jiaxing; Xiong, Shisheng; Khaira, Gurdaman; Bowen, Alec; Ocola, Leonidas E; Divan, Ralu; Doxastakis, Manolis; Ferrier, Nicola J; de Pablo, Juan; Nealey, Paul F

2017-02-28

Characterization of the three-dimensional (3D) structure in directed self-assembly (DSA) of block copolymers is crucial for understanding the complex relationships between the guiding template and the resulting polymer structure so DSA could be successfully implemented for advanced lithography applications. Here, we combined scanning transmission electron microscopy (STEM) tomography and coarse-grain simulations to probe the 3D structure of P2VP-b-PS-b-P2VP assembled on prepatterned templates using solvent vapor annealing. The templates consisted of nonpreferential background and raised guiding stripes that had PS-preferential top surfaces and P2VP-preferential sidewalls. The full 3D characterization allowed us to quantify the shape of the polymer domains and the interface between domains as a function of depth in the film and template geometry and offered important insights that were not accessible with 2D metrology. Sidewall guiding was advantageous in promoting the alignment and lowering the roughness of the P2VP domains over the sidewalls, but incommensurate confinement from the increased topography could cause roughness and intermittent dislocations in domains over the background region at the bottom of the film. The 3D characterization of bridge structures between domains over the background and breaks within domains on guiding lines sheds light on possible origins of common DSA defects. The positional fluctuations of the PS/P2VP interface between domains showed a depth-dependent behavior, with high levels of fluctuations near both the free surface of the film and the substrate and lower fluctuation levels in the middle of the film. This research demonstrates how 3D characterization offers a better understanding of DSA processes, leading to better design and fabrication of directing templates.

Quantitative three-dimensional characterization of block copolymer directed self-assembly on combined chemical and topographical prepatterned templates

DOE PAGES

Segal-Peretz, Tamar; Ren, Jiaxing; Xiong, Shisheng; ...

2016-12-22

Characterization of the three-dimensional (3D) structure in directed self-assembly (DSA) of block copolymers is crucial for understanding the complex relationships between the guiding template and the resulting polymer structure so DSA could be successfully implemented for advanced lithography applications. Here, we combined scanning transmission electron microscopy (STEM) tomography and coarse-grain simulations to probe the 3D structure of P2VP- b-PS- b-P2VP assembled on prepatterned templates using solvent vapor annealing. The templates consisted of nonpreferential background and raised guiding stripes that had PS-preferential top surfaces and P2VP-preferential sidewalls. The full 3D characterization allowed us to quantify the shape of the polymer domainsmore » and the interface between domains as a function of depth in the film and template geometry and offered important insights that were not accessible with 2D metrology. Sidewall guiding was advantageous in promoting the alignment and lowering the roughness of the P2VP domains over the sidewalls, but incommensurate confinement from the increased topography could cause roughness and intermittent dislocations in domains over the background region at the bottom of the film. The 3D characterization of bridge structures between domains over the background and breaks within domains on guiding lines sheds light on possible origins of common DSA defects. The positional fluctuations of the PS/P2VP interface between domains showed a depth-dependent behavior, with high levels of fluctuations near both the free surface of the film and the substrate and lower fluctuation levels in the middle of the film. As a result, this research demonstrates how 3D characterization offers a better understanding of DSA processes, leading to better design and fabrication of directing templates.« less

Two-dimensional chiral asymmetry in unidirectional magnetic anisotropy structures

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

Perna, P., E-mail: paolo.perna@imdea.org; Guerrero, R.; Niño, M. A.

2016-05-15

We investigate the symmetry-breaking effects of magnetic nanostructures that present unidirectional (one-fold) magnetic anisotropy. Angular and field dependent transport and magnetic properties have been studied in two different exchange-biased systems, i.e. ferromagnetic (FM)/ antiferromagnetic (AFM) bilayer and spin-valve structures. We experimentally show the direct relationships between the magnetoresistance (MR) response and the magnetization reversal pathways for any field value and direction. We demonstrate that even though the MR signals are related to different transport phenomena, namely anisotropic magnetoresistance (AMR) and giant magnetoresistance (GMR), chiral asymmetries are found around the magnetization hard-axis direction, in both cases originated from the one-fold symmetrymore » of the interfacial exchange coupling. Our results indicate that the chiral asymmetry of transport and magnetic behaviors are intrinsic of systems with an unidirectional contribution.« less

Direct-Write 3D Nanoprinting of Plasmonic Structures

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

Winkler, Robert; Schmidt, Franz-Philipp; Karl-Franzens Univ.

During the past decade, significant progress has been made in the field of resonant optics ranging from fundamental aspects to concrete applications. And while several techniques have been introduced for the fabrication of highly defined metallic nanostructures, the synthesis of complex, free-standing three-dimensional (3D) structures is still an intriguing, but so far intractable, challenge. Here, we demonstrate a 3D direct-write synthesis approach that addresses this challenge. Specifically, we succeeded in the direct-write fabrication of 3D nanoarchitectures via electron-stimulated reactions, which are applicable on virtually any material and surface morphology. Furthermore, by that, complex 3D nanostructures composed of highly compact, puremore » gold can be fabricated, which reveal strong plasmonic activity and pave the way for a new generation of 3D nanoplasmonic architectures that can be printed on-demand.« less

A new linear structured light module based on the MEMS micromirror

NASA Astrophysics Data System (ADS)

Zhou, Peng; Shen, Wenjiang; Yu, Huijun

2017-10-01

A new linear structured light module based on the Micro-Electro-Mechanical System (MEMS) two-dimensional scanning micromirror was designed and created. This module consists of a laser diode, a convex lens, and the MEMS micromirror. The laser diode generates the light and the convex lens control the laser beam to converge on a single point with large depth of focus. The fast scan in horizontal direction of the micromirror will turn the laser spot into a homogenous laser line. Meanwhile, the slow scan in vertical direction of the micromirror will move the laser line in the vertical direction. The width of the line generated by this module is 300μm and the length is 120mm and the moving distance is 100mm at 30cm away from the module. It will promote the development of industrial detection.

Advances in three-dimensional rapid prototyping of microfluidic devices for biological applications

PubMed Central

O'Neill, P. F.; Ben Azouz, A.; Vázquez, M.; Liu, J.; Marczak, S.; Slouka, Z.; Chang, H. C.; Diamond, D.; Brabazon, D.

2014-01-01

The capability of 3D printing technologies for direct production of complex 3D structures in a single step has recently attracted an ever increasing interest within the field of microfluidics. Recently, ultrafast lasers have also allowed developing new methods for production of internal microfluidic channels within the bulk of glass and polymer materials by direct internal 3D laser writing. This review critically summarizes the latest advances in the production of microfluidic 3D structures by using 3D printing technologies and direct internal 3D laser writing fabrication methods. Current applications of these rapid prototyped microfluidic platforms in biology will be also discussed. These include imaging of cells and living organisms, electrochemical detection of viruses and neurotransmitters, and studies in drug transport and induced-release of adenosine triphosphate from erythrocytes. PMID:25538804

Direct-Write 3D Nanoprinting of Plasmonic Structures

DOE PAGES

Winkler, Robert; Schmidt, Franz-Philipp; Karl-Franzens Univ.; ...

2016-11-23

During the past decade, significant progress has been made in the field of resonant optics ranging from fundamental aspects to concrete applications. And while several techniques have been introduced for the fabrication of highly defined metallic nanostructures, the synthesis of complex, free-standing three-dimensional (3D) structures is still an intriguing, but so far intractable, challenge. Here, we demonstrate a 3D direct-write synthesis approach that addresses this challenge. Specifically, we succeeded in the direct-write fabrication of 3D nanoarchitectures via electron-stimulated reactions, which are applicable on virtually any material and surface morphology. Furthermore, by that, complex 3D nanostructures composed of highly compact, puremore » gold can be fabricated, which reveal strong plasmonic activity and pave the way for a new generation of 3D nanoplasmonic architectures that can be printed on-demand.« less

Anisotropic ripple deformation in phosphorene

DOE PAGES

Kou, Liangzhi; Ma, Yandong; Smith, Sean C.; ...

2015-04-07

Here, two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS 2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classicalmore » elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.« less

Anisotropic ripple deformation in phosphorene

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

Kou, Liangzhi; Ma, Yandong; Smith, Sean C.

Here, two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS 2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classicalmore » elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.« less

The review on tessellation origami inspired folded structure

NASA Astrophysics Data System (ADS)

Chu, Chai Chen; Keong, Choong Kok

2017-10-01

Existence of folds enhances the load carrying capacity of a folded structure which makes it suitable to be used for application where large open space is required such as large span roof structures and façade. Folded structure is closely related to origami especially the tessellation origami. Tessellation origami provides a folded configuration with facetted surface as a result from repeated folding pattern. Besides that, tessellation origami has flexible folding mechanism that produced a variety of 3-dimensional folded configurations. Despite the direct relationship between fold in origami and folded structure, the idea of origami inspired folded structure is not properly reviewed in the relevant engineering field. Hence, this paper aims to present the current studies from related discipline which has direct relation with application of tessellation origami in folded structure. First, tessellation origami is properly introduced and defined. Then, the review covers the topic on the origami tessellation design suitable for folded structure, its modeling and simulation method, and existing studies and applications of origami as folded structure is presented. The paper also includes the discussion on the current issues related to each topic.

Application of acoustic doppler current profilers for measuring three-dimensional flow fields and as a surrogate measurement of bedload transport

USGS Publications Warehouse

Conaway, Jeffrey S.

2005-01-01

Acoustic Doppler current profilers (ADCPs) have been in use in the riverine environment for nearly 20 years. Their application primarily has been focused on the measurement of streamflow discharge. ADCPs emit high-frequency sound pulses and receive reflected sound echoes from sediment particles in the water column. The Doppler shift between transmitted and return signals is resolved into a velocity component that is measured in three dimensions by simultaneously transmitting four independent acoustical pulses. To measure the absolute velocity magnitude and direction in the water column, the velocity magnitude and direction of the instrument must also be computed. Typically this is accomplished by ensonifying the streambed with an acoustical pulse that also provides a depth measurement for each of the four acoustic beams. Sediment transport on or near the streambed will bias these measurements and requires external positioning such as a differentially corrected Global Positioning Systems (GPS). Although the influence of hydraulic structures such as spur dikes and bridge piers is typically only measured and described in one or two dimensions, the use of differentially corrected GPS with ADCPs provides a fully three-dimensional measurement of the magnitude and direction of the water column at such structures. The measurement of these flow disturbances in a field setting also captures the natural pulsations of river flow that cannot be easily quantified or modeled by numerical simulations or flumes. Several examples of measured three-dimensional flow conditions at bridge sites throughout Alaska are presented. The bias introduced to the bottom-track measurement is being investigated as a surrogate measurement of bedload transport. By fixing the position of the ADCP for a known period of time the apparent velocity of the streambed at that position can be determined. Initial results and comparison to traditionally measured bedload values are presented. These initial results and those by other researchers are helping to determine a direction for further research of noncontact measurements of sediment transport. Copyright ASCE 2005.

Reconstruction and separation of vibratory field using structural holography

NASA Astrophysics Data System (ADS)

Chesnais, C.; Totaro, N.; Thomas, J.-H.; Guyader, J.-L.

2017-02-01

A method for reconstructing and separating vibratory field on a plate-like structure is presented. The method, called "Structural Holography" is derived from classical Near-field Acoustic Holography (NAH) but in the vibratory domain. In this case, the plate displacement is measured on one-dimensional lines (the holograms) and used to reconstruct the entire two-dimensional displacement field. As a consequence, remote measurements on non directly accessible zones are possible with Structural Holography. Moreover, as it is based on the decomposition of the field into forth and back waves, Structural Holography permits to separate forces in the case of multi-sources excitation. The theoretical background of the Structural Holography method is described first. Then, to illustrate the process and the possibilities of Structural Holography, the academic test case of an infinite plate excited by few point forces is presented. With the principle of vibratory field separation, the displacement fields produced by each point force separately is reconstructed. However, the displacement field is not always meaningful and some additional treatments are mandatory to localize the position of point forces for example. From the simple example of an infinite plate, a post-processing based on the reconstruction of the structural intensity field is thus proposed. Finally, Structural Holography is generalized to finite plates and applied to real experimental measurements

Three dimensional-stacked complementary thin-film transistors using n-type Al:ZnO and p-type NiO thin-film transistors.

PubMed

Lee, Ching-Ting; Chen, Chia-Chi; Lee, Hsin-Ying

2018-03-05

The three dimensional inverters were fabricated using novel complementary structure of stacked bottom n-type aluminum-doped zinc oxide (Al:ZnO) thin-film transistor and top p-type nickel oxide (NiO) thin-film transistor. When the inverter operated at the direct voltage (V DD ) of 10 V and the input voltage from 0 V to 10 V, the obtained high performances included the output swing of 9.9 V, the high noise margin of 2.7 V, and the low noise margin of 2.2 V. Furthermore, the high performances of unskenwed inverter were demonstrated by using the novel complementary structure of the stacked n-type Al:ZnO thin-film transistor and p-type nickel oxide (NiO) thin-film transistor.

Photonic band structures of two-dimensional magnetized plasma photonic crystals

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

Qi, L.

By using modified plane wave method, photonic band structures of the transverse electric polarization for two types of two-dimensional magnetized plasma photonic crystals are obtained, and influences of the external magnetic field, plasma density, and dielectric materials on the dispersion curves are studied, respectively. Results show that two areas of flat bands appear in the dispersion curves due to the role of external magnetic field, and the higher frequencies of the up and down flat bands are corresponding to the right-circled and left-circled cutoff frequencies, respectively. Adjusting external magnetic field and plasma density can not only control positions of themore » flat bands, but also can control the location and width of the local gap; increasing relative dielectric constant of the dielectric materials makes omni-direction gaps appear.« less

Inter-subband structure factor for a quasi-one-dimensional polaron gas

NASA Astrophysics Data System (ADS)

Machado, Paulo César Miranda; Osório, Francisco Aparecido Pinto; Borges, Antônio Newton

2016-08-01

In this work, the collective excitation spectra of quasi-one-dimensional plasmon in a rectangular GaAs quantum wire is investigated. Our calculations are performed within the Singwi, Tosi, Land and Sjölander (STLS) self-consistent theory taking into account the plasmon-longitudinal optical (LO) phonon coupling effects. We have employed a three subband model with only the first subband occupied by electrons and we have considered intra-subband and inter-subband transitions. We show that the polaronic effects cause the appearance of dips and oscillations in the static structure factor dispersion relation, which are directly related with the oscillator strength transfer between the collective excitation energy branches. We have also observed oscillations in the pair-correlation function that are characteristic of inter-subband transitions and it denotes partial localization of the particle.

Energy and Technology Review

NASA Astrophysics Data System (ADS)

Poggio, Andrew J.

1988-10-01

This issue of Energy and Technology Review contains: Neutron Penumbral Imaging of Laser-Fusion Targets--using our new penumbral-imaging diagnostic, we have obtained the first images that can be used to measure directly the deuterium-tritium burn region in laser-driven fusion targets; Computed Tomography for Nondestructive Evaluation--various computed tomography systems and computational techniques are used in nondestructive evaluation; Three-Dimensional Image Analysis for Studying Nuclear Chromatin Structure--we have developed an optic-electronic system for acquiring cross-sectional views of cell nuclei, and computer codes to analyze these images and reconstruct the three-dimensional structures they represent; Imaging in the Nuclear Test Program--advanced techniques produce images of unprecedented detail and resolution from Nevada Test Site data; and Computational X-Ray Holography--visible-light experiments and numerically simulated holograms test our ideas about an X-ray microscope for biological research.

Review of beetle forewing structures and their biomimetic applications in China: (I) On the structural colors and the vertical and horizontal cross-sectional structures.

PubMed

Chen, Jinxiang; Xie, Juan; Wu, Zhishen; Elbashiry, Elsafi Mohamed Adam; Lu, Yun

2015-10-01

This paper discusses the progress made in China in terms of the structural colors, microstructure and mechanical properties of the beetle forewing. 1) The forewing microstructures can be classified into six phases, the first three of which are characterized by sandwich, multilayer and fiber layer structures, respectively. The fracture behaviors resulting from these three phases suggest that different scale microstructures or coupled adjacent scale microstructures can determine the macroscopic mechanical behavior of the forewing. 2) The forewing colors are derived from three features: regulation of the structural parameters of the internal optical structures, i.e., a sculpted multilayer composite two-dimensional nanopillar structure grating system; scattering on the three-dimensional surface of the bowl-shaped structure; and reversible color changes due to changes in the physical microstructure of fluffs. Their formation mechanisms were clarified, and fibers with ecological biomimetic structural colors have been developed. 3) Beetles exhibit a lightweight sectional frame structure with a trabecular core structure. Both of the joints on the left and right are concave-convex butt-joint structures with burrs, which provide an efficient docking mechanism with high intensity. The forewing of dichotoma exhibits a non-equiangular layered structure, which results in anisotropy in its tensile strength. Finally, the authors propose potential new research directions for the next 20 years. Copyright © 2015 Elsevier B.V. All rights reserved.

Probing the band structure and local electronic properties of low-dimensional semiconductor structures

NASA Astrophysics Data System (ADS)

Walrath, Jenna Cherie

Low-dimensional semiconductor structures are important for a wide variety of applications, and recent advances in nanoscale fabrication are paving the way for increasingly precise nano-engineering of a wide range of materials. It is therefore essential that the physics of materials at the nanoscale are thoroughly understood to unleash the full potential of nanotechnology, requiring the development of increasingly sophisticated instrumentation and modeling. Of particular interest is the relationship between the local density of states (LDOS) of low-dimensional structures and the band structure and local electronic properties. This dissertation presents the investigation of the band structure, LDOS, and local electronic properties of nanostructures ranging from zero-dimensional (0D) quantum dots (QDs) to two-dimensional (2D) thin films, synthesizing computational and experimental approaches including Poisson-Schrodinger band structure calculations, scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and scanning thermoelectric microscopy (SThEM). A method is presented for quantifying the local Seebeck coefficient (S) with SThEM, using a quasi-3D conversion matrix approach to directly convert temperature gradient-induced voltages S. For a GaAs p-n junction, the resulting S-profile is consistent with that computed using the free carrier concentration profile. This combined computational-experimental approach is expected to enable nanoscale measurements of S across a wide variety of heterostructure interfaces. The local carrier concentration, n, is profiled across epitaxial InAs/GaAs QDs, where SThEM is used to profile the temperature gradient-induced voltage, which is converted to a profile of the local S and finally to an n profile. The S profile is converted to a conduction band-edge profile and compared with Poisson-Schrodinger band-edge simulations. The combined computational-experimental approach suggests a reduced n in the QD center in comparison to that of the 2D alloy layer. The surface composition and band structure of ordered horizontal Sb2Te3 nanowires induced by femtosecond laser irradiation of a thin film are investigated, revealing a band gap modulation between buried Sb2Te3 nanowires and the surrounding insulating material. Finally, STM and STS are used to investigate the band structure of BiSbTe alloys at room temperature, revealing both the Fermi level and Dirac point located inside the bulk bandgap, indicating bulk-like insulating behavior with accessible surface states.

Laser-induced Forward Transfer of Ag Nanopaste.

PubMed

Breckenfeld, Eric; Kim, Heungsoo; Auyeung, Raymond C Y; Piqué, Alberto

2016-03-31

Over the past decade, there has been much development of non-lithographic methods(1-3) for printing metallic inks or other functional materials. Many of these processes such as inkjet(3) and laser-induced forward transfer (LIFT)(4) have become increasingly popular as interest in printable electronics and maskless patterning has grown. These additive manufacturing processes are inexpensive, environmentally friendly, and well suited for rapid prototyping, when compared to more traditional semiconductor processing techniques. While most direct-write processes are confined to two-dimensional structures and cannot handle materials with high viscosity (particularly inkjet), LIFT can transcend both constraints if performed properly. Congruent transfer of three dimensional pixels (called voxels), also referred to as laser decal transfer (LDT)(5-9), has recently been demonstrated with the LIFT technique using highly viscous Ag nanopastes to fabricate freestanding interconnects, complex voxel shapes, and high-aspect-ratio structures. In this paper, we demonstrate a simple yet versatile process for fabricating a variety of micro- and macroscale Ag structures. Structures include simple shapes for patterning electrical contacts, bridging and cantilever structures, high-aspect-ratio structures, and single-shot, large area transfers using a commercial digital micromirror device (DMD) chip.

Laser-induced Forward Transfer of Ag Nanopaste

PubMed Central

Breckenfeld, Eric; Kim, Heungsoo; Auyeung, Raymond C. Y.; Piqué, Alberto

2016-01-01

Over the past decade, there has been much development of non-lithographic methods1-3 for printing metallic inks or other functional materials. Many of these processes such as inkjet3 and laser-induced forward transfer (LIFT)4 have become increasingly popular as interest in printable electronics and maskless patterning has grown. These additive manufacturing processes are inexpensive, environmentally friendly, and well suited for rapid prototyping, when compared to more traditional semiconductor processing techniques. While most direct-write processes are confined to two-dimensional structures and cannot handle materials with high viscosity (particularly inkjet), LIFT can transcend both constraints if performed properly. Congruent transfer of three dimensional pixels (called voxels), also referred to as laser decal transfer (LDT)5-9, has recently been demonstrated with the LIFT technique using highly viscous Ag nanopastes to fabricate freestanding interconnects, complex voxel shapes, and high-aspect-ratio structures. In this paper, we demonstrate a simple yet versatile process for fabricating a variety of micro- and macroscale Ag structures. Structures include simple shapes for patterning electrical contacts, bridging and cantilever structures, high-aspect-ratio structures, and single-shot, large area transfers using a commercial digital micromirror device (DMD) chip. PMID:27077645

Distribution of electromagnetic field and group velocities in two-dimensional periodic systems with dissipative metallic components

NASA Astrophysics Data System (ADS)

Kuzmiak, Vladimir; Maradudin, Alexei A.

1998-09-01

We study the distribution of the electromagnetic field of the eigenmodes and corresponding group velocities associated with the photonic band structures of two-dimensional periodic systems consisting of an array of infinitely long parallel metallic rods whose intersections with a perpendicular plane form a simple square lattice. We consider both nondissipative and lossy metallic components characterized by a complex frequency-dependent dielectric function. Our analysis is based on the calculation of the complex photonic band structure obtained by using a modified plane-wave method that transforms the problem of solving Maxwell's equations into the problem of diagonalizing an equivalent non-Hermitian matrix. In order to investigate the nature and the symmetry properties of the eigenvectors, which significantly affect the optical properties of the photonic lattices, we evaluate the associated field distribution at the high symmetry points and along high symmetry directions in the two-dimensional first Brillouin zone of the periodic system. By considering both lossless and lossy metallic rods we study the effect of damping on the spatial distribution of the eigenvectors. Then we use the Hellmann-Feynman theorem and the eigenvectors and eigenfrequencies obtained from a photonic band-structure calculation based on a standard plane-wave approach applied to the nondissipative system to calculate the components of the group velocities associated with individual bands as functions of the wave vector in the first Brillouin zone. From the group velocity of each eigenmode the flow of energy is examined. The results obtained indicate a strong directional dependence of the group velocity, and confirm the experimental observation that a photonic crystal is a potentially efficient tool in controlling photon propagation.

Numerical analysis of modified Central Solenoid insert design

DOE PAGES

Khodak, Andrei; Martovetsky, Nicolai; Smirnov, Aleksandre; ...

2015-06-21

The United States ITER Project Office (USIPO) is responsible for fabrication of the Central Solenoid (CS) for ITER project. The ITER machine is currently under construction by seven parties in Cadarache, France. The CS Insert (CSI) project should provide a verification of the conductor performance in relevant conditions of temperature, field, currents and mechanical strain. The US IPO designed the CSI that will be tested at the Central Solenoid Model Coil (CSMC) Test Facility at JAEA, Naka. To validate the modified design we performed three-dimensional numerical simulations using coupled solver for simultaneous structural, thermal and electromagnetic analysis. Thermal and electromagneticmore » simulations supported structural calculations providing necessary loads and strains. According to current analysis design of the modified coil satisfies ITER magnet structural design criteria for the following conditions: (1) room temperature, no current, (2) temperature 4K, no current, (3) temperature 4K, current 60 kA direct charge, and (4) temperature 4K, current 60 kA reverse charge. Fatigue life assessment analysis is performed for the alternating conditions of: temperature 4K, no current, and temperature 4K, current 45 kA direct charge. Results of fatigue analysis show that parts of the coil assembly can be qualified for up to 1 million cycles. Distributions of the Current Sharing Temperature (TCS) in the superconductor were obtained from numerical results using parameterization of the critical surface in the form similar to that proposed for ITER. Lastly, special ADPL scripts were developed for ANSYS allowing one-dimensional representation of TCS along the cable, as well as three-dimensional fields of TCS in superconductor material. Published by Elsevier B.V.« less

Structure and properties of microporous titanosilicate determined by first-principles calculations

NASA Astrophysics Data System (ADS)

Ching, W. Y.; Xu, Yong-Nian; Gu, Zong-Quan

1996-12-01

The structure of EST-10, a member of synthetic microporous titanosilicates, was recently determined by an ingenious combination of experimental and simulational techniques. However, the locations of the alkali atoms in the framework remain elusive and its electronic structure is totally unknown. Based on first-principles local density calculations, the possible locations of the alkali atoms are identified and its electronic structure and bonding fully elucidated. ETS-10 is a semiconductor with a direct band gap of 2.33 eV. The Na atoms are likely to locate inside the seven-member ring pore adjacent to the one-dimensional Ti-O-Ti-O- chain.

Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones.

PubMed

Wang, Zhenhai; Zhou, Xiang-Feng; Zhang, Xiaoming; Zhu, Qiang; Dong, Huafeng; Zhao, Mingwen; Oganov, Artem R

2015-09-09

Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [fæ'græfi:n], standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7 carbon rings. This two-dimensional (2D) carbon structure is lower in energy than most of the predicted 2D carbon allotropes due to its sp(2)-binding features and density of atomic packing comparable to graphene. More interestingly, the electronic structure of phagraphene has distorted Dirac cones. The direction-dependent cones are further proved to be robust against external strain with tunable Fermi velocities.

Coherent Structures and Spectral Energy Transfer in Turbulent Plasma: A Space-Filter Approach.

PubMed

Camporeale, E; Sorriso-Valvo, L; Califano, F; Retinò, A

2018-03-23

Plasma turbulence at scales of the order of the ion inertial length is mediated by several mechanisms, including linear wave damping, magnetic reconnection, the formation and dissipation of thin current sheets, and stochastic heating. It is now understood that the presence of localized coherent structures enhances the dissipation channels and the kinetic features of the plasma. However, no formal way of quantifying the relationship between scale-to-scale energy transfer and the presence of spatial structures has been presented so far. In the Letter we quantify such a relationship analyzing the results of a two-dimensional high-resolution Hall magnetohydrodynamic simulation. In particular, we employ the technique of space filtering to derive a spectral energy flux term which defines, in any point of the computational domain, the signed flux of spectral energy across a given wave number. The characterization of coherent structures is performed by means of a traditional two-dimensional wavelet transformation. By studying the correlation between the spectral energy flux and the wavelet amplitude, we demonstrate the strong relationship between scale-to-scale transfer and coherent structures. Furthermore, by conditioning one quantity with respect to the other, we are able for the first time to quantify the inhomogeneity of the turbulence cascade induced by topological structures in the magnetic field. Taking into account the low space-filling factor of coherent structures (i.e., they cover a small portion of space), it emerges that 80% of the spectral energy transfer (both in the direct and inverse cascade directions) is localized in about 50% of space, and 50% of the energy transfer is localized in only 25% of space.

Coherent Structures and Spectral Energy Transfer in Turbulent Plasma: A Space-Filter Approach

NASA Astrophysics Data System (ADS)

Camporeale, E.; Sorriso-Valvo, L.; Califano, F.; Retinò, A.

2018-03-01

Plasma turbulence at scales of the order of the ion inertial length is mediated by several mechanisms, including linear wave damping, magnetic reconnection, the formation and dissipation of thin current sheets, and stochastic heating. It is now understood that the presence of localized coherent structures enhances the dissipation channels and the kinetic features of the plasma. However, no formal way of quantifying the relationship between scale-to-scale energy transfer and the presence of spatial structures has been presented so far. In the Letter we quantify such a relationship analyzing the results of a two-dimensional high-resolution Hall magnetohydrodynamic simulation. In particular, we employ the technique of space filtering to derive a spectral energy flux term which defines, in any point of the computational domain, the signed flux of spectral energy across a given wave number. The characterization of coherent structures is performed by means of a traditional two-dimensional wavelet transformation. By studying the correlation between the spectral energy flux and the wavelet amplitude, we demonstrate the strong relationship between scale-to-scale transfer and coherent structures. Furthermore, by conditioning one quantity with respect to the other, we are able for the first time to quantify the inhomogeneity of the turbulence cascade induced by topological structures in the magnetic field. Taking into account the low space-filling factor of coherent structures (i.e., they cover a small portion of space), it emerges that 80% of the spectral energy transfer (both in the direct and inverse cascade directions) is localized in about 50% of space, and 50% of the energy transfer is localized in only 25% of space.

High-resolution three-dimensional structural microscopy by single-angle Bragg ptychography

DOE PAGES

Hruszkewycz, S. O.; Allain, M.; Holt, M. V.; ...

2016-11-21

Coherent X-ray microscopy by phase retrieval of Bragg diffraction intensities enables lattice distortions within a crystal to be imaged at nanometre-scale spatial resolutions in three dimensions. While this capability can be used to resolve structure–property relationships at the nanoscale under working conditions, strict data measurement requirements can limit the application of current approaches. Here, in this work, we introduce an efficient method of imaging three-dimensional (3D) nanoscale lattice behaviour and strain fields in crystalline materials with a methodology that we call 3D Bragg projection ptychography (3DBPP). This method enables 3D image reconstruction of a crystal volume from a series ofmore » two-dimensional X-ray Bragg coherent intensity diffraction patterns measured at a single incident beam angle. Structural information about the sample is encoded along two reciprocal-space directions normal to the Bragg diffracted exit beam, and along the third dimension in real space by the scanning beam. Finally, we present our approach with an analytical derivation, a numerical demonstration, and an experimental reconstruction of lattice distortions in a component of a nanoelectronic prototype device.« less

Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

DOE PAGES

Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.; ...

2015-05-07

Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this report, we present a theoretical formalism to demonstrate themore » slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. In conclusion, we also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions« less

Photon Transport in One-Dimensional Incommensurately Epitaxial CsPbX 3 Arrays

DOE PAGES

Wang, Yiping; Sun, Xin; Shivanna, Ravichandran; ...

2016-11-16

One-dimensional nanoscale epitaxial arrays serve as a great model in studying fundamental physics and for emerging applications. With an increasing focus laid on the Cs-based inorganic halide perovskite out of its outstanding material stability, we have applied vapor phase epitaxy to grow well aligned horizontal CsPbX 3 (X: Cl, Br, or I or their mixed) nanowire arrays in large scale on mica substrate. The as-grown nanowire features a triangular prism morphology with typical length ranging from a few tens of micrometers to a few millimeters. Structural analysis reveals that the wire arrays follow the symmetry of mica substrate through incommensuratemore » epitaxy, paving a way for a universally applicable method to grow a broad family of halide perovskite materials. We have studied the unique photon transport in the one-dimensional structure in the all-inorganic Cs-based perovskite wires via temperature dependent and spatially resolved photoluminescence. Furthermore, epitaxy of well oriented wire arrays in halide perovskite would be a promising direction for enabling the circuit-level applications of halide perovskite in high-performance electro-optics and optoelectronics.« less

Anisotropic nanomaterials: structure, growth, assembly, and functions

PubMed Central

Sajanlal, Panikkanvalappil R.; Sreeprasad, Theruvakkattil S.; Samal, Akshaya K.; Pradeep, Thalappil

2011-01-01

Comprehensive knowledge over the shape of nanomaterials is a critical factor in designing devices with desired functions. Due to this reason, systematic efforts have been made to synthesize materials of diverse shape in the nanoscale regime. Anisotropic nanomaterials are a class of materials in which their properties are direction-dependent and more than one structural parameter is needed to describe them. Their unique and fine-tuned physical and chemical properties make them ideal candidates for devising new applications. In addition, the assembly of ordered one-dimensional (1D), two-dimensional (2D), and three-dimensional (3D) arrays of anisotropic nanoparticles brings novel properties into the resulting system, which would be entirely different from the properties of individual nanoparticles. This review presents an overview of current research in the area of anisotropic nanomaterials in general and noble metal nanoparticles in particular. We begin with an introduction to the advancements in this area followed by general aspects of the growth of anisotropic nanoparticles. Then we describe several important synthetic protocols for making anisotropic nanomaterials, followed by a summary of their assemblies, and conclude with major applications. PMID:22110867

A Novel Multi-scale Simulation Strategy for Turbulent Reacting Flows

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

James, Sutherland C.

In this project, a new methodology was proposed to bridge the gap between Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). This novel methodology, titled Lattice-Based Multiscale Simulation (LBMS), creates a lattice structure of One-Dimensional Turbulence (ODT) models. This model has been shown to capture turbulent combustion with high fidelity by fully resolving interactions between turbulence and diffusion. By creating a lattice of ODT models, which are then coupled, LBMS overcomes the shortcomings of ODT, which are its inability to capture large scale three dimensional flow structures. However, by spacing these lattices significantly apart, LBMS can avoid the cursemore » of dimensionality that creates untenable computational costs associated with DNS. This project has shown that LBMS is capable of reproducing statistics of isotropic turbulent flows while coarsening the spacing between lines significantly. It also investigates and resolves issues that arise when coupling ODT lines, such as flux reconstruction perpendicular to a given ODT line, preservation of conserved quantities when eddies cross a course cell volume and boundary condition application. Robust parallelization is also investigated.« less

Two-dimensional sparse wavenumber recovery for guided wavefields

NASA Astrophysics Data System (ADS)

Sabeti, Soroosh; Harley, Joel B.

2018-04-01

The multi-modal and dispersive behavior of guided waves is often characterized by their dispersion curves, which describe their frequency-wavenumber behavior. In prior work, compressive sensing based techniques, such as sparse wavenumber analysis (SWA), have been capable of recovering dispersion curves from limited data samples. A major limitation of SWA, however, is the assumption that the structure is isotropic. As a result, SWA fails when applied to composites and other anisotropic structures. There have been efforts to address this issue in the literature, but they either are not easily generalizable or do not sufficiently express the data. In this paper, we enhance the existing approaches by employing a two-dimensional wavenumber model to account for direction-dependent velocities in anisotropic media. We integrate this model with tools from compressive sensing to reconstruct a wavefield from incomplete data. Specifically, we create a modified two-dimensional orthogonal matching pursuit algorithm that takes an undersampled wavefield image, with specified unknown elements, and determines its sparse wavenumber characteristics. We then recover the entire wavefield from the sparse representations obtained with our small number of data samples.

Two-dimensional displacement measurement based on two parallel gratings

NASA Astrophysics Data System (ADS)

Wei, Peipei; Lu, Xi; Qiao, Decheng; Zou, Limin; Huang, Xiangdong; Tan, Jiubin; Lu, Zhengang

2018-06-01

In this paper, a two-dimensional (2-D) planar encoder based on two parallel gratings, which includes a scanning grating and scale grating, is presented. The scanning grating is a combined transmission rectangular grating comprised of a 2-D grating located at the center and two one-dimensional (1-D) gratings located at the sides. The grating lines of the two 1-D gratings are perpendicular to each other and parallel with the 2-D grating lines. The scale grating is a 2-D reflective-type rectangular grating placed in parallel with the scanning grating, and there is an angular difference of 45° between the grating lines of the two 2-D gratings. With the special structural design of the scanning grating, the encoder can measure the 2-D displacement in the grating plane simultaneously, and the measured interference signals in the two directions are uncoupled. Moreover, by utilizing the scanning grating to modulate the phase of the interference signals instead of the prisms, the structure of the encoder is compact. Experiments were implemented, and the results demonstrate the validity of the 2-D planar grating encoder.

Response of a shell structure subject to distributed harmonic excitation

NASA Astrophysics Data System (ADS)

Cao, Rui; Bolton, J. Stuart

2016-09-01

Previously, a coupled, two-dimensional structural-acoustic ring model was constructed to simulate the dynamic and acoustical behavior of pneumatic tires. Analytical forced solutions were obtained and were experimentally verified through laser velocimeter measurement made using automobile tires. However, the two-dimensional ring model is incapable of representing higher order, in-plane modal motion in either the circumferential or axial directions. Therefore, in this paper, a three-dimensional pressurized circular shell model is proposed to study the in-plane shearing motion and the effect of different forcing conditions. Closed form analytical solutions were obtained for both free and forced vibrations of the shell under simply supported boundary conditions. Dispersion relations were calculated and different wave types were identified by their different speeds. Shell surface mobility results under various input distributions were also studied and compared. Spatial Fourier series decompositions were also performed on the spatial mobility results to give the forced dispersion relations, which illustrate clearly the influence of input force spatial distribution. Such a model has practical application in identifying the sources of noise and vibration problems in automotive tires.

Dimensional metrology of smooth micro structures utilizing the spatial modulation of white-light interference fringes

NASA Astrophysics Data System (ADS)

Zhou, Yi; Tang, Yan; Deng, Qinyuan; Liu, Junbo; Wang, Jian; Zhao, Lixin

2017-08-01

Dimensional metrology for micro structure plays an important role in addressing quality issues and observing the performance of micro-fabricated products. In white light interferometry, the proposed method is expected to measure three-dimensional topography through modulation depth in spatial frequency domain. A normalized modulation depth is first obtained in the xy plane (image plane) for each CCD image individually. After that, the modulation depth of each pixel is analyzed along the scanning direction (z-axis) to reshape the topography of micro samples. Owing to the characteristics of modulation depth in broadband light interferometry, the method could effectively suppress the negative influences caused by light fluctuations and external irradiance disturbance. Both theory and experiments are elaborated in detail to verify that the modulation depth-based method can greatly level up the stability and sensitivity with satisfied precision in the measurement system. This technique can achieve an improved robustness in a complex measurement environment with the potential to be applied in online topography measurement such as chemistry and medical domains.

Determining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy

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

Dong, Hui; Lewis, Nicholas H. C.; Oliver, Thomas A. A.

2015-05-07

Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated remains elusive. The recent demonstration of two-dimensional electronic-vibrational (2DEV) spectroscopy potentially enables a direct measurement of this correlation experimentally. However, it has hitherto been unclear how to characterize the correlation from the spectra. In this paper, we present a theoretical formalism to demonstrate themore » slope of the nodal line between the excited state absorption and ground state bleach peaks in the spectra as a characterization of the correlation between electronic and vibrational transition energies. We also show the dynamics of the nodal line slope is correlated to the vibrational spectral dynamics. Additionally, we demonstrate the fundamental 2DEV spectral line-shape of a monomer with newly developed response functions.« less

Direct laser writing of microstructures on optically opaque and reflective surfaces

NASA Astrophysics Data System (ADS)

Rekštytė, S.; Jonavičius, T.; Malinauskas, M.

2014-02-01

Direct laser writing (DLW) based on ultra-localized polymerization is an efficient way to produce three-dimensional (3D) micro/nano-structures for diverse applications in science and industry. It is attractive for its flexibility to materialize CAD models out of wide spectrum of materials on the desired substrates. In case of direct laser lithography, photo-crosslinking can be achieved by tightly focusing ultrashort laser pulses to a photo- or thermo-polymers. Selectively exposing material to laser radiation allows creating fully 3D structures with submicrometer spatial resolution. In this paper we present DLW results of hybrid organic-inorganic material SZ2080 on optically opaque and reflective surfaces, such as silicon and various metals (Cr, Ti, Au). Our studies prove that one can precisely fabricate 2D and 3D structures with lower than 1 μm spatial resolution even on glossy or rough surfaces (surface roughness rms 0.068-0.670 μm) using sample translation velocities of up to 1 mm/s. Using femtosecond high pulse repetition rate laser, sample translation velocity can reach over 1 mm/s ensuring repeatable submicrometer structuring resolution.

Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector

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

Genderen, E. van; Clabbers, M. T. B.; Center for Cellular Imaging and NanoAnalytics

A specialized quantum area detector for electron diffraction studies makes it possible to solve the structure of small organic compound nanocrystals in non-cryo conditions by direct methods. Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼0.013 e{sup −} Å{sup −2} s{sup −1}) were collected at roommore » temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography (XDS, SHELX) and for electron crystallography (ADT3D/PETS, SIR2014)« less

The Various Applications of 3D Printing in Cardiovascular Diseases.

PubMed

El Sabbagh, Abdallah; Eleid, Mackram F; Al-Hijji, Mohammed; Anavekar, Nandan S; Holmes, David R; Nkomo, Vuyisile T; Oderich, Gustavo S; Cassivi, Stephen D; Said, Sameh M; Rihal, Charanjit S; Matsumoto, Jane M; Foley, Thomas A

2018-05-10

To highlight the various applications of 3D printing in cardiovascular disease and discuss its limitations and future direction. Use of handheld 3D printed models of cardiovascular structures has emerged as a facile modality in procedural and surgical planning as well as education and communication. Three-dimensional (3D) printing is a novel imaging modality which involves creating patient-specific models of cardiovascular structures. As percutaneous and surgical therapies evolve, spatial recognition of complex cardiovascular anatomic relationships by cardiologists and cardiovascular surgeons is imperative. Handheld 3D printed models of cardiovascular structures provide a facile and intuitive road map for procedural and surgical planning, complementing conventional imaging modalities. Moreover, 3D printed models are efficacious educational and communication tools. This review highlights the various applications of 3D printing in cardiovascular diseases and discusses its limitations and future directions.

Research and analysis on response characteristics of bracket-line coupling system under wind load

NASA Astrophysics Data System (ADS)

Jiayu, Zhao; Qing, Sun

2018-01-01

In this paper, a three-dimensional finite element model of bracket-line coupling system is established based on ANSYS software. Using the wind velocity time series which is generated by MATLAB as a power input, by comparing and analyzing the influence of different wind speeds and different wind attack angles, it is found that when 0 degree wind acts on the structure, wires have a certain damping effect in the bracket-line coupling system and at the same wind speed, the 90 degree direction is the most unfavorable wind direction for the whole structure according to the three kinds of angle wind calculated at present. In the bracket-line coupling system, the bracket structure is more sensitive to the increase of wind speed while the conductors are more sensitive to the change of wind attack angle.

Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector.

PubMed

van Genderen, E; Clabbers, M T B; Das, P P; Stewart, A; Nederlof, I; Barentsen, K C; Portillo, Q; Pannu, N S; Nicolopoulos, S; Gruene, T; Abrahams, J P

2016-03-01

Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼ 0.013 e(-) Å(-2) s(-1)) were collected at room temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography (XDS, SHELX) and for electron crystallography (ADT3D/PETS, SIR2014).

Invisibility Cloak Printed on a Photonic Chip

PubMed Central

Feng, Zhen; Wu, Bing-Hong; Zhao, Yu-Xi; Gao, Jun; Qiao, Lu-Feng; Yang, Ai-Lin; Lin, Xiao-Feng; Jin, Xian-Min

2016-01-01

Invisibility cloak capable of hiding an object can be achieved by properly manipulating electromagnetic field. Such a remarkable ability has been shown in transformation and ray optics. Alternatively, it may be realistic to create a spatial cloak by means of confining electromagnetic field in three-dimensional arrayed waveguides and introducing appropriate collective curvature surrounding an object. We realize the artificial structure in borosilicate by femtosecond laser direct writing, where we prototype up to 5,000 waveguides to conceal millimeter-scale volume. We characterize the performance of the cloak by normalized cross correlation, tomography analysis and continuous three-dimensional viewing angle scan. Our results show invisibility cloak can be achieved in waveguide optics. Furthermore, directly printed invisibility cloak on a photonic chip may enable controllable study and novel applications in classical and quantum integrated photonics, such as invisualising a coupling or swapping operation with on-chip circuits of their own. PMID:27329510

Piezoelectric two-dimensional nanosheets/anionic layer heterojunction for efficient direct current power generation.

PubMed

Kim, Kwon-Ho; Kumar, Brijesh; Lee, Keun Young; Park, Hyun-Kyu; Lee, Ju-Hyuck; Lee, Hyun Hwi; Jun, Hoin; Lee, Dongyun; Kim, Sang-Woo

2013-01-01

Direct current (DC) piezoelectric power generator is promising for the miniaturization of a power package and self-powering of nanorobots and body-implanted devices. Hence, we report the first use of two-dimensional (2D) zinc oxide (ZnO) nanostructure and an anionic nanoclay layer to generate piezoelectric DC output power. The device, made from 2D nanosheets and an anionic nanoclay layer heterojunction, has potential to be the smallest size power package, and could be used to charge wireless nano/micro scale systems without the use of rectifier circuits to convert alternating current into DC to store the generated power. The combined effect of buckling behaviour of the ZnO nanosheets, a self-formed anionic nanoclay layer, and coupled semiconducting and piezoelectric properties of ZnO nanosheets contributes to efficient DC power generation. The networked ZnO nanosheets proved to be structurally stable under huge external mechanical loads.

Simultaneous sensing of light and sound velocities of fluids in a two-dimensional phoXonic crystal with defects

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

Amoudache, Samira; Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri, B.P. 17 RP, 15000 Tizi-Ouzou; Pennec, Yan, E-mail: yan.pennec@univ-lille1.fr

2014-04-07

We theoretically investigate the potentiality of dual phononic-photonic (the so-called phoxonic) crystals for liquid sensing applications. We study the transmission through a two-dimensional (2D) crystal made of infinite cylindrical holes in a silicon substrate, where one row of holes oriented perpendicular to the propagation direction is filled with a liquid. The infiltrated holes may have a different radius than the regular holes. We show, in the defect structure, the existence of well-defined features (peaks or dips) in the transmission spectra of acoustic and optical waves and estimate their sensitivity to the sound and light velocity of the analyte. Some ofmore » the geometrical requirements behave in opposite directions when searching for an efficient sensing of either sound or light velocities. Hence, a compromise in the choice of the parameters may become necessary in making the phoxonic sensor.« less

Coherent fluorescence emission by using hybrid photonic–plasmonic crystals

PubMed Central

Shi, Lei; Yuan, Xiaowen; Zhang, Yafeng; Hakala, Tommi; Yin, Shaoyu; Han, Dezhuan; Zhu, Xiaolong; Zhang, Bo; Liu, Xiaohan; Törmä, Päivi; Lu, Wei; Zi, Jian

2014-01-01

The spatial and temporal coherence of the fluorescence emission controlled by a quasi-two-dimensional hybrid photonic–plasmonic crystal structure covered with a thin fluorescent-molecular-doped dielectric film is investigated experimentally. A simple theoretical model to describe how a confined quasi-two-dimensional optical mode may induce coherent fluorescence emission is also presented. Concerning the spatial coherence, it is experimentally observed that the coherence area in the plane of the light source is in excess of 49 μm2, which results in enhanced directional fluorescence emission. Concerning temporal coherence, the obtained coherence time is 4 times longer than that of the normal fluorescence emission in vacuum. Moreover, a Young's double-slit interference experiment is performed to directly confirm the spatially coherent emission. This smoking gun proof of spatial coherence is reported here for the first time for the optical-mode-modified emission. PMID:25793015

Invisibility Cloak Printed on a Photonic Chip

NASA Astrophysics Data System (ADS)

Feng, Zhen; Wu, Bing-Hong; Zhao, Yu-Xi; Gao, Jun; Qiao, Lu-Feng; Yang, Ai-Lin; Lin, Xiao-Feng; Jin, Xian-Min

2016-06-01

Invisibility cloak capable of hiding an object can be achieved by properly manipulating electromagnetic field. Such a remarkable ability has been shown in transformation and ray optics. Alternatively, it may be realistic to create a spatial cloak by means of confining electromagnetic field in three-dimensional arrayed waveguides and introducing appropriate collective curvature surrounding an object. We realize the artificial structure in borosilicate by femtosecond laser direct writing, where we prototype up to 5,000 waveguides to conceal millimeter-scale volume. We characterize the performance of the cloak by normalized cross correlation, tomography analysis and continuous three-dimensional viewing angle scan. Our results show invisibility cloak can be achieved in waveguide optics. Furthermore, directly printed invisibility cloak on a photonic chip may enable controllable study and novel applications in classical and quantum integrated photonics, such as invisualising a coupling or swapping operation with on-chip circuits of their own.

Investigation on the Yarn Squeezing Effect of Three Dimensional Full Five Directional Braided Composites

NASA Astrophysics Data System (ADS)

Hu, Long; Tao, Guoquan; Liu, Zhenguo; Wang, Yibo; Ya, Jixuan

2018-04-01

The influence of yarn squeezing effect on the geometric morphology and mechanical property of the three dimensional full five directional (3DF5D) braided composites is explored. Spatial path and cross-section shape of the yarns in the braided structure are characterized based on the micro computed tomography (micro CT) scanning images. The yarn distortion due to the squeezing effect is discussed and mathematical morphology of the yarn geometry is established. A new repeated unit cell (RUC) model of 3DF5D braided composites considering yarn squeezing effect is developed. Based on this model, mechanical properties of 3DF5D braided composites are analyzed. Good agreement is obtained between the predicted and experiment results. Moreover, the stress distribution of the new RUC model are compared with original RUC model, showing that the squeezing effect significantly increases the stress concentration level of the axial yarns.

Nonlinear heat transfer and structural analyses of SSME turbine blades

NASA Technical Reports Server (NTRS)

Abdul-Aziz, A.; Kaufman, A.

1987-01-01

Three-dimensional nonlinear finite-element heat transfer and structural analyses were performed for the first stage high-pressure fuel turbopump blade of the space shuttle main engine (SSME). Directionally solidified (DS) MAR-M 246 material properties were considered for the analyses. Analytical conditions were based on a typical test stand engine cycle. Blade temperature and stress-strain histories were calculated using MARC finite-element computer code. The study was undertaken to assess the structural response of an SSME turbine blade and to gain greater understanding of blade damage mechanisms, convective cooling effects, and the thermal-mechanical effects.

Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.

PubMed

Macías, Mario A; Nuñez-Dallos, Nelson; Hurtado, John; Suescun, Leopoldo

2016-06-01

The mol-ecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in a meta configuration, forming dihedral angles of 88.74 (11) and 85.83 (10)° with the central aromatic ring and 57.08 (9)° with each other. The three-dimensional structure is controlled mainly by weak C-H⋯N and C-H⋯π inter-actions. The mol-ecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

BiSr3(YO)3(BO3)4: a new gaudefroyite-type rare-earth borate with moderate SHG response.

PubMed

Gao, Jianhua; Li, Shuai

2012-01-02

The synthesis, crystal structure, crystal growth, and characterization of a new noncentrosymmetric rare-earth borate BiSr(3)(YO)(3)(BO(3))(4) are reported. BiSr(3)(YO)(3)(BO(3))(4) belongs to gaudefroyite type of structure and crystallizes in the polar hexagonal space group P6(3) (no. 173) with a = 10.6975(16) Å and c = 6.7222(12) Å. In the structure, the YO(7) polyhedra share edges to form an one-dimensional chain along the [001] direction. These chains are interconnected by the BO(3) group to construct a three-dimensional framework, leaving two kinds of channels for Bi atoms and Sr atoms together with BO(3) groups, respectively. On the basis of the powder second-harmonic generation (SHG) measurement, BiSr(3)(YO)(3)(BO(3))(4) belongs to the phase-matchable class with a SHG response of about 3 × KDP.

Through the looking glass: Unraveling the network structure of coal

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

Gregory, D. M.; Stec, D. F.; Botto, R. E.

1999-12-23

Since the original idea by Sanada and Honda of treating coal as a three-dimensional cross-linked network, coal structure has been probed by monitoring ingress of solvents using traditional volumetric or gravimetric methods. However, using these techniques has allowed only an indirect observation of the swelling process. More recently, the authors have developed magnetic resonance microscopy (MRM) approaches for studying solvent ingress in polymeric systems, about which fundamental aspects of the swelling process can be deduced directly and quantitatively. The aim of their work is to utilize solvent transport and network response parameters obtained from these methods to assess fundamental propertiesmore » of the system under investigation. Polymer and coal samples have been studied to date. Numerous swelling parameters measured by magnetic resonance microscopy are found to correlate with cross-link density of the polymer network under investigation. Use of these parameters to assess the three-dimensional network structure of coal is discussed.« less

Charge density wave order in 1D mirror twin boundaries of single-layer MoSe 2

DOE PAGES

Barja, Sara; Wickenburg, Sebastian; Liu, Zhen-Fei; ...

2016-04-18

Here, We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe 2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe 2 and MoS 2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent densitymore » of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.« less

Three-dimensional core-shell Fe2O3 @ carbon/carbon cloth as binder-free anode for the high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Wang, Xiaohua; Zhang, Miao; Liu, Enzuo; He, Fang; Shi, Chunsheng; He, Chunnian; Li, Jiajun; Zhao, Naiqin

2016-12-01

A facile and scalable strategy is developed to fabricate three dimensional core-shell Fe2O3 @ carbon/carbon cloth structure by simple hydrothermal route as binder-free lithium-ion battery anode. In the unique structure, carbon coated Fe2O3 nanorods uniformly disperse on carbon cloth which forms the conductive carbon network. The hierarchical porous Fe2O3 nanorods in situ grown on the carbon cloth can effectively shorten the transfer paths of lithium ions and reduce the contact resistance. The carbon coating significantly inhibits pulverization of active materials during the repeated Li-ion insertion/extraction, as well as the direct exposure of Fe2O3 to the electrolyte. Benefiting from the structural integrity and flexibility, the nanocomposites used as binder-free anode for lithium-ion batteries, demonstrate high reversible capacity and excellent cyclability. Moreover, this kind of material represents an alternative promising candidate for flexible, cost-effective, and binder-free energy storage devices.

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

NASA Astrophysics Data System (ADS)

Takahashi, T.; Kobayashi, T.

1983-12-01

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

Three-dimensional Printed Cardiac Models: Applications in the Field of Medical Education, Cardiovascular Surgery, and Structural Heart Interventions.

PubMed

Valverde, Israel

2017-04-01

In recent years, three-dimensional (3D) printed models have been incorporated into cardiology because of their potential usefulness in enhancing understanding of congenital heart disease, surgical planning, and simulation of structural percutaneous interventions. This review provides an introduction to 3D printing technology and identifies the elements needed to construct a 3D model: the types of imaging modalities that can be used, their minimum quality requirements, and the kinds of 3D printers available. The review also assesses the usefulness of 3D printed models in medical education, specialist physician training, and patient communication. We also review the most recent applications of 3D models in surgical planning and simulation of percutaneous structural heart interventions. Finally, the current limitations of 3D printing and its future directions are discussed to explore potential new applications in this exciting medical field. Copyright © 2016 Sociedad Española de Cardiología. Published by Elsevier España, S.L.U. All rights reserved.

Polymorphism in alkali metal uranyl nitrates: Synthesis and crystal structure of gamma-K(UO2)(NO3)3

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

Jouffret, Laurent J.; Krivovichev, Sergey V.; Burns, Peter C.

2011-07-20

Single crystals of γ-K(UO₂)(NO₃)₃ were prepared from aqueous solutions by evaporation. The crystal structure [orthorhombic, Pbca (61), a = 9.2559(3) Å, b = 12.1753(3) Å, c = 15.8076(5) Å, V = 1781.41(9) ų, Z = 8] was determined by direct methods and refined to R₁ = 0.0267 on the basis of 3657 unique observed reflections. The structure is composed of isolated anionic uranyl trinitrate units, [(UO₂)(NO₃)₃] –, that are linked through eleven-coordinated K + cations. Both known polymorphs of K(UO₂)(NO₃)₃ (α- and γ-phases) can be considered as based upon sheets of isolated complex [(UO₂)(NO₃)₃] – ions separated by K +more » cations. The existence of polymorphism in the two K[UO₂(NO₃)₃] polymorphs is due to the different packing modes of uranyl trinitrate clusters that adopt the same two-dimensional but different three-dimensional arrangements.« less

Electronic properties of two-dimensional zinc oxide in hexagonal, (4,4)-tetragonal, and (4,8)-tetragonal structures by using Hybrid Functional calculation

NASA Astrophysics Data System (ADS)

Supatutkul, C.; Pramchu, S.; Jaroenjittichai, A. P.; Laosiritaworn, Y.

2017-09-01

This work reports the structures and electronic properties of two-dimensional (2D) ZnO in hexagonal, (4,8)-tetragonal, and (4,4)-tetragonal monolayer using GGA and HSE-hybrid functional. The calculated results show that the band gaps of 2D ZnO sheets are wider than those of the bulk ZnO. The hexagonal and (4,8)-tetragonal phases yield direct band gaps, which are 4.20 eV, and 4.59 eV respectively, while the (4,4)-tetragonal structure has an indirect band gap of 3.02 eV. The shrunken Zn-O bond lengths in the hexagonal and (4,8)-tetragonal indicate that they become more ionic in comparison with the bulk ZnO. In addition, the hexagonal ZnO sheet is the most energetically favourable. The total energy differences of (4,8)-tetragonal and (4,4)-tetragonal sheets from that of hexagonal monolayer (per formula unit) are 197 meV and 318 meV respectively.

Conformation of single block copolymer chain in two-dimensional microphase-separated structure studied by scanning near-field optical microscopy.

PubMed

Sekine, Ryojun; Aoki, Hiroyuki; Ito, Shinzaburo

2009-05-21

The localization and orientation of the symmetric diblock copolymer chain in a quasi-two-dimensional microphase-separated structure were studied by scanning near-field optical microscopy (SNOM). In the monolayer of poly(isobutyl methacrylate)-block-poly(octadecyl methacrylate) (PiBMA-b-PODMA), the individual PiBMA subchains were directly observed by SNOM, and the center of mass (CM) and orientational angle relative to the phase interface were examined at the single chain level. It was found that the position of the CM and the orientation of the PiBMA subchain in the lamellar structure were dependent on the curvature of the PiBMA/PODMA interface. As the interface was bent toward the objective chain, the block chain preferred the CM position closer to the domain center, and the conformation was strongly oriented perpendicularly to the domain interface. With increase of the curvature, the steric hindrance among the block chain increases, resulting in the stretched conformation.

Reconstruction of three-dimensional porous media using generative adversarial neural networks

NASA Astrophysics Data System (ADS)

Mosser, Lukas; Dubrule, Olivier; Blunt, Martin J.

2017-10-01

To evaluate the variability of multiphase flow properties of porous media at the pore scale, it is necessary to acquire a number of representative samples of the void-solid structure. While modern x-ray computer tomography has made it possible to extract three-dimensional images of the pore space, assessment of the variability in the inherent material properties is often experimentally not feasible. We present a method to reconstruct the solid-void structure of porous media by applying a generative neural network that allows an implicit description of the probability distribution represented by three-dimensional image data sets. We show, by using an adversarial learning approach for neural networks, that this method of unsupervised learning is able to generate representative samples of porous media that honor their statistics. We successfully compare measures of pore morphology, such as the Euler characteristic, two-point statistics, and directional single-phase permeability of synthetic realizations with the calculated properties of a bead pack, Berea sandstone, and Ketton limestone. Results show that generative adversarial networks can be used to reconstruct high-resolution three-dimensional images of porous media at different scales that are representative of the morphology of the images used to train the neural network. The fully convolutional nature of the trained neural network allows the generation of large samples while maintaining computational efficiency. Compared to classical stochastic methods of image reconstruction, the implicit representation of the learned data distribution can be stored and reused to generate multiple realizations of the pore structure very rapidly.

High transport and excellent optical property of a two-dimensional single-layered hybrid perovskite (C4H9NH3)2PbBr4: a theoretical study.

PubMed

Lei, Jun-Hui; Zhao, Yu-Qing; Tang, Qiong; Lin, Jian-Guo; Cai, Meng-Qiu

2018-05-16

Organic-inorganic hybrid perovskites are developed to pursue high charge carrier mobility and light absorption coefficient. In this study, we present a detailed comparative research of the atomic and electronic structures of single-layered perovskites (C4H9NH3)2PbBr4 with two-dimensional/three-dimensional (2D/3D) spatial arrangement to predict the in plane charge carrier mobility along with the charge effective mass, elastic constant, and deformation potential. The calculated results reveal that the intrinsic in plane carrier mobilities of 2D single-layered hybrid perovskite (C4H9NH3)2PbBr4 along the 100 and 010 directions are superior to those of the 3D structure. Furthermore, the optical properties are calculated from the electronic structure; it is found that the light absorption spectrum of 2D single-layered perovskite (C4H9NH3)2PbBr4 with a high absorption coefficient is wider than that of the 3D phase. We speculate that the superior mobility and wider absorption spectrum of the 2D mono-layered perovskite are due to high charge density and ferroelectricity originating from structure distortion upon 3D-to-2D structure transformation. These results indicate that the 2D single-layered hybrid perovskite (C4H9NH3)2PbBr4 is a potential candidate for application in the optoelectronic and photovoltaic fields.

The integrated motion measurement simulation for SOFIA

NASA Astrophysics Data System (ADS)

Kaswekar, Prashant; Greiner, Benjamin; Wagner, Jörg

2014-07-01

The Stratospheric Observatory for Infrared Astronomy SOFIA consists of a B747-SP aircraft, which carries aloft a 2.7-meter reflecting telescope. The image stability goal for SOFIA is 0:2 arc-seconds rms. The performance of the telescope structure is affected by elastic vibrations induced by aeroacoustic and suspension disturbances. Active compensation of such disturbances requires a fast way of estimating the structural motion. Integrated navigation systems are examples of such estimation systems. However they employ a rigid body assumption. A possible extension of these systems to an elastic structure is shown by different authors for one dimensional beam structures taking into account the eigenmodes of the structural system. The rigid body motion as well as the flexible modes of the telescope assembly, however, are coupled among the three axes. Extending a special mathematical approach to three dimensional structures, the aspect of a modal observer based on integrated motion measurement is simulated for SOFIA. It is in general a fusion of different measurement methods by using their benefits and blinding out their disadvantages. There are no mass and stillness properties needed directly in this approach. However, the knowledge of modal properties of the structure is necessary for the implementation of this method. A finite-element model is chosen as a basis to extract the modal properties of the structure.

Higher-dimensional Wannier functions of multiparameter Hamiltonians

NASA Astrophysics Data System (ADS)

Hanke, Jan-Philipp; Freimuth, Frank; Blügel, Stefan; Mokrousov, Yuriy

2015-05-01

When using Wannier functions to study the electronic structure of multiparameter Hamiltonians H(k ,λ ) carrying a dependence on crystal momentum k and an additional periodic parameter λ , one usually constructs several sets of Wannier functions for a set of values of λ . We present the concept of higher-dimensional Wannier functions (HDWFs), which provide a minimal and accurate description of the electronic structure of multiparameter Hamiltonians based on a single set of HDWFs. The obstacle of nonorthogonality of Bloch functions at different λ is overcome by introducing an auxiliary real space, which is reciprocal to the parameter λ . We derive a generalized interpolation scheme and emphasize the essential conceptual and computational simplifications in using the formalism, for instance, in the evaluation of linear response coefficients. We further implement the necessary machinery to construct HDWFs from ab initio within the full potential linearized augmented plane-wave method (FLAPW). We apply our implementation to accurately interpolate the Hamiltonian of a one-dimensional magnetic chain of Mn atoms in two important cases of λ : (i) the spin-spiral vector q and (ii) the direction of the ferromagnetic magnetization m ̂. Using the generalized interpolation of the energy, we extract the corresponding values of magnetocrystalline anisotropy energy, Heisenberg exchange constants, and spin stiffness, which compare very well with the values obtained from direct first principles calculations. For toy models we demonstrate that the method of HDWFs can also be used in applications such as the virtual crystal approximation, ferroelectric polarization, and spin torques.

Fabrication and Characterization of Woodpile Structures for Direct Laser Acceleration

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

McGuinness, C.; Colby, E.; England, R.J.

2010-08-26

An eight and nine layer three dimensional photonic crystal with a defect designed specifically for accelerator applications has been fabricated. The structures were fabricated using a combination of nanofabrication techniques, including low pressure chemical vapor deposition, optical lithography, and chemical mechanical polishing. Limits imposed by the optical lithography set the minimum feature size to 400 nm, corresponding to a structure with a bandgap centered at 4.26 {micro}m. Reflection spectroscopy reveal a peak in reflectivity about the predicted region, and good agreement with simulation is shown. The eight and nine layer structures will be aligned and bonded together to form themore » complete seventeen layer woodpile accelerator structure.« less

Nightside Structure of the Venusian Ionosphere

NASA Astrophysics Data System (ADS)

Ledvina, S. A.; Brecht, S. H.

2017-12-01

The Pioneer Venus Orbiter, PVO, was the first mission to detect large-scale structure in the nightside region of Venus. This structure is often referred to as "tail rays." Since this discovery, there has been continuous discussion as to the cause of the structure. There have been theoretical attempts to explain the structure but no definitive determination of the mechanism. Typically, the wavelengths of the structure were not always consistent with the theory. Three-dimensional hybrid simulations are reported that produce structure on the nightside of Venus. The structure seems consistent with the data. This paper will present the results of the simulations as well as a variety of numerical tests that offer some insight into the mechanism driving the development of the structure. The tests reveal that the ambipolar electric fields as produced by the gradient of the electron pressure seems to be the root cause of the structure. It will be shown that different realizations of the neutral wind modify the structure. The hybrid simulations are three dimensional with neutral winds included in the simulations. The resolution of the simulation is 50 km/cell and lower. The spherical grid used in the simulations to handle chemistry and collisions has a resolution of 5 km radially and under 50 km in the angular directions. It is these high resolution simulations that produce the structure to be discussed in this paper.

Three dimensional structure of the distal condyles of the third metacarpal bone of the horse.

PubMed

Boyde, A; Haroon, Y; Jones, S J; Riggs, C M

1999-03-01

This study examined the three-dimensional (3D) microarchitecture of regions of the equine third metacarpal bone (McIII) commonly involved in distal condylar fractures. Limbs were obtained from Thoroughbred horses (neonates to age 24 years) destroyed for inoperable fractures and a variety of other conditions. Beams, blocks and sections were cut in the principal axes, some embedded in PMMA and others examined unembedded. Several methods were used to study the 3D structure, including conventional and confocal optical microscopy, scanning electron microscopy (SEM) and radiography. The mineralised articular cartilage tends to cleave in the sagittal plane. Proximal to the subchondral bone, the main trabeculae are robust plates running in the sagittal direction with less significant mediolateral connections. Small blood vessel canals lie inside the sagittal plates. This structure gives maximum strength and protection in the sagittal plane in which the bone rotates, but offers minimal resistance to fracture propagation in this plane. The anatomical course of the common distal condylar fractures of the third metacarpal bones can be explained by underlying anisotropic structural features of the mineralised tissues.

Ground and CHAMP observations of field-aligned current circuits generated by lower atmospheric disturbances and expectations to the SWARM to clarify their three dimensional structure

NASA Astrophysics Data System (ADS)

Iyemori, Toshihiko; Nakanishi, Kunihito; Aoyama, Tadashi; Lühr, Hermann

2014-05-01

Acoustic gravity waves propagated to the ionosphere cause dynamo currents in the ionosphere. They divert along geomagnetic field lines of force to another hemisphere accompanying electric field and then flow in the ionosphere of another hemisphere by the electric field forming closed current circuits. The oscillating current circuits with the period of acoustic waves generate magnetic variations on the ground, and they are observed as long period geomagnetic pulsations. This effect has been detected during big earthquakes, strong typhoons, tornados etc. On a low-altitude satellite orbit, the spatial distribution (i.e., structure) of the current circuits along the satellite orbit should be detected as temporal magnetic oscillations, and the effect is confirmed by a CHAMP data analysis. On the spatial structure, in particular, in the longitudinal direction, it has been difficult to examine by a single satellite or from ground magnetic observations. The SWARM satellites will provide an unique opportunity to clarify the three dimensional structure of the field-aligned current circuits.

First-Principles Study of Novel Two-Dimensional (C4H9NH3)2PbX4 Perovskites for Solar Cell Absorbers.

PubMed

Wang, Da; Wen, Bo; Zhu, Ya-Nan; Tong, Chuan-Jia; Tang, Zhen-Kun; Liu, Li-Min

2017-02-16

Low-dimensional perovskites (A 2 BX 4 ), in which the A cations are replaced by different organic cations, may be used for photovoltaic applications. In this contribution, we systematically study the two-dimensional (2D) (C 4 H 9 NH 3 ) 2 PbX 4 (X═Cl, Br and I) hybrid perovskites by density functional theory (DFT). A clear structures-properties relationship, with the photophysical characteristics directly related to the dimensionality and material compositions, was established. The strong s-p antibonding couplings in both bulk and monolayer (C 4 H 9 NH 3 ) 2 PbI 4 lead to low effective masses for both holes (m h *) and electrons (m e *). However, m h * increases in proportion to the decreasing inorganic layer thickness, which eventually leads to a slightly shifted band edge emission found in 2D perovskites. Notably, the 2D (C 4 H 9 NH 3 ) 2 PbX 4 perovskites exhibit strong optical transitions in the visible light spectrum, and the optical absorption tunings can be achieved by varying the compositions and the layer thicknesses. Such work paves an important way to uncover the structures-properties relationship in 2D perovskites.

Direct laser interference patterning for decreased bacterial attachment

NASA Astrophysics Data System (ADS)

Guenther, Denise; Valle, Jaoine; Burgui, Saioa; Gil, Carmen; Solano, Cristina; Toledo-Arana, Alejandro; Helbig, Ralf; Werner, Carsten; Lasa, Inigo; Lasagni, Andrés. F.

2016-03-01

In the past 15 years, many efforts were made to create functionalized artificial surfaces showing special anti-bacterial and anti-biofouling properties. Thereby, the topography of medical relevant materials plays an important role. However, the targeted fabrication of promising surface structures like hole-, lamella- and pyramid-like patterns with feature sizes in the sub-micrometer range in a one-step process is still a challenge. Optical and e-beam lithography, molding and selfassembly layers show a great potential to design topographies for this purpose. At the same time, most of these techniques are based on sequential processes, require masks or molds and thus are very device relevant and time consuming. In this work, we present the Direct Laser Interference Patterning (DLIP) technology as a capable method for the fast, flexible and direct fabrication of periodic micrometer- and submicrometer structures. This method offers the possibility to equip large plain areas and curved devices with 1D, 2D and 3D patterns. Simple 1D (e.g. lines) and complex 3D (e.g. lamella, pillars) patterns with periodic distances from 0.5 μm to 5 μm were fabricated on polymeric materials (polyimide, polystyrene). Subsequently, we characterized the adhesion behavior of Staphylococcus epidermidis and S. aureus bacteria under in vitro and in vivo conditions. The results revealed that the topographies have a significant impact on bacteria adhesion. On the one side, one-dimensional line-like structures especially with dimensions of the bacteria enhanced microbe attachment. While on the other hand, complex three-dimensional patterns prevented biofilm formation even after implantation and contamination in living organisms.

Three-dimensional facial anthropometry of unilateral cleft lip infants with a structured light scanning system.

PubMed

Li, Guanghui; Wei, Jianhua; Wang, Xi; Wu, Guofeng; Ma, Dandan; Wang, Bo; Liu, Yanpu; Feng, Xinghua

2013-08-01

Cleft lip in the presence or absence of a cleft palate is a major public health problem. However, few studies have been published concerning the soft-tissue morphology of cleft lip infants. Currently, obtaining reliable three-dimensional (3D) surface models of infants remains a challenge. The aim of this study was to investigate a new way of capturing 3D images of cleft lip infants using a structured light scanning system. In addition, the accuracy and precision of the acquired facial 3D data were validated and compared with direct measurements. Ten unilateral cleft lip patients were enrolled in the study. Briefly, 3D facial images of the patients were acquired using a 3D scanner device before and after the surgery. Fourteen items were measured by direct anthropometry and 3D image software. The accuracy and precision of the 3D system were assessed by comparative analysis. The anthropometric data obtained using the 3D method were in agreement with the direct anthropometry measurements. All data calculated by the software were 'highly reliable' or 'reliable', as defined in the literature. The localisation of four landmarks was not consistent in repeated experiments of inter-observer reliability in preoperative images (P<0.05), while the intra-observer reliability in both pre- and postoperative images was good (P>0.05). The structured light scanning system is proven to be a non-invasive, accurate and precise method in cleft lip anthropometry. Copyright © 2013 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

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.

Holographic Reconstruction of Photoelectron Diffraction and Its Circular Dichroism for Local Structure Probing

NASA Astrophysics Data System (ADS)

Matsui, Fumihiko; Matsushita, Tomohiro; Daimon, Hiroshi

2018-06-01

The local atomic structure around a specific element atom can be recorded as a photoelectron diffraction pattern. Forward focusing peaks and diffraction rings around them indicate the directions and distances from the photoelectron emitting atom to the surrounding atoms. The state-of-the-art holography reconstruction algorithm enables us to image the local atomic arrangement around the excited atom in a real space. By using circularly polarized light as an excitation source, the angular momentum transfer from the light to the photoelectron induces parallax shifts in these diffraction patterns. As a result, stereographic images of atomic arrangements are obtained. These diffraction patterns can be used as atomic-site-resolved probes for local electronic structure investigation in combination with spectroscopy techniques. Direct three-dimensional atomic structure visualization and site-specific electronic property analysis methods are reviewed. Furthermore, circular dichroism was also found in valence photoelectron and Auger electron diffraction patterns. The investigation of these new phenomena provides hints for the development of new techniques for local structure probing.

Enhanced doping effect on tuning structural phases of monolayer antimony

NASA Astrophysics Data System (ADS)

Wang, Jizhang; Yang, Teng; Zhang, Zhidong; Yang, Li

2018-05-01

Doping is capable to control the atomistic structure, electronic structure, and even to dynamically realize a semiconductor-metal transition in two-dimensional (2D) transition metal dichalcogenides (TMDs). However, the high critical doping density (˜1014 electron/cm2), compound nature, and relatively low carrier mobility of TMDs limits broader applications. Using first-principles calculations, we predict that, via a small transition potential, a substantially lower hole doping density (˜6 × 1012 hole/cm2) can switch the ground-state structure of monolayer antimony from the hexagonal β-phase, a 2D semiconductor with excellent transport performance and air stability but an indirect bandgap, to the orthorhombic α phase with a direct bandgap and potentially better carrier mobility. We further show that this structural engineering can be achieved by the established electrostatic doping, surface functional adsorption, or directly using graphene substrate. This gives hope to dynamically tuning and large-scale production of 2D single-element semiconductors that simultaneously exhibit remarkable transport and optical performance.

Numerical analysis of light extraction enhancement of GaN-based thin-film flip-chip light-emitting diodes with high-refractive-index buckling nanostructures

NASA Astrophysics Data System (ADS)

Yue, Qing-Yang; Yang, Yang; Cheng, Zhen-Jia; Guo, Cheng-Shan

2018-06-01

In this work, the light extraction efficiency enhancement of GaN-based thin-film flip-chip (TFFC) light-emitting diodes (LEDs) with high-refractive-index (TiO2) buckling nanostructures was studied using the three-dimensional finite difference time domain method. Compared with 2-D photonic crystals, the buckling structures have the advantages of a random directionality and a broad distribution in periodicity, which can effectively extract the guided light propagating in all azimuthal directions over a wide spectrum. Numerical studies revealed that the light extraction efficiency of buckling-structured LEDs reaches 1.1 times that of triangular lattice photonic crystals. The effects of the buckling structure feature sizes and the thickness of the N-GaN layer on the light extraction efficiency for TFFC LEDs were also investigated systematically. With optimized structural parameters, a significant light extraction enhancement of about 2.6 times was achieved for TiO2 buckling-structured TFFC LEDs compared with planar LEDs.

Strain-induced Weyl and Dirac states and direct-indirect gap transitions in group-V materials

NASA Astrophysics Data System (ADS)

Moynihan, Glenn; Sanvito, Stefano; O'Regan, David D.

2017-12-01

We perform comprehensive density-functional theory calculations on strained two-dimensional phosphorus (P), arsenic (As) and antimony (Sb) in the monolayer, bilayer, and bulk α-phase, from which we compute the key mechanical and electronic properties of these materials. Specifically, we compute their electronic band structures, band gaps, and charge-carrier effective masses, and identify the qualitative electronic and structural transitions that may occur. Moreover, we compute the elastic properties such as the Young’s modulus Y; shear modulus G; bulk modulus B ; and Poisson ratio ν and present their isotropic averages of as well as their dependence on the in-plane orientation, for which the relevant expressions are derived. We predict strain-induced Dirac states in the monolayers of As and Sb and the bilayers of P, As, and Sb, as well as the possible existence of Weyl states in the bulk phases of P and As. These phases are predicted to support charge velocities up to 106 m {{\\text{s}}-1} and, in some highly anisotropic cases, permit one-dimensional ballistic conductivity in the puckered direction. We also predict numerous band gap transitions for moderate in-plane stresses. Our results contribute to the mounting evidence for the utility of these materials, made possible by their broad range in tuneable properties, and facilitate the directed exploration of their potential application in next-generation electronics.

Coherent and radiative couplings through two-dimensional structured environments

NASA Astrophysics Data System (ADS)

Galve, F.; Zambrini, R.

2018-03-01

We study coherent and radiative interactions induced among two or more quantum units by coupling them to two-dimensional (2D) lattices acting as structured environments. This model can be representative of atoms trapped near photonic crystal slabs, trapped ions in Coulomb crystals, or to surface acoustic waves on piezoelectric materials, cold atoms on state-dependent optical lattices, or even circuit QED architectures, to name a few. We compare coherent and radiative contributions for the isotropic and directional regimes of emission into the lattice, for infinite and finite lattices, highlighting their differences and existing pitfalls, e.g., related to long-time or large-lattice limits. We relate the phenomenon of directionality of emission with linear-shaped isofrequency manifolds in the dispersion relation, showing a simple way to disrupt it. For finite lattices, we study further details such as the scaling of resonant number of lattice modes for the isotropic and directional regimes, and relate this behavior with known van Hove singularities in the infinite lattice limit. Furthermore, we export the understanding of emission dynamics with the decay of entanglement for two quantum, atomic or bosonic, units coupled to the 2D lattice. We analyze in some detail completely subradiant configurations of more than two atoms, which can occur in the finite lattice scenario, in contrast with the infinite lattice case. Finally, we demonstrate that induced coherent interactions for dark states are zero for the finite lattice.

Simple fabrication of pineapple root-like palladium-gold catalysts as the high-efficiency cathode in direct peroxide-peroxide fuel cells.

PubMed

Wang, Xin; Ye, Ke; Sun, Ce; Zhang, Hongyu; Zhu, Kai; Cheng, Kui; Wang, Guiling; Cao, Dianxue

2017-07-15

Pd-Au/TiC electrodes with various three-dimensional structures are obtained by the pulsed potential electro-deposition in PdCl 2 /HAuCl 4 electrolytes. The morphologies of Pd-Au/TiC composite catalysts are significantly dependent on the component of deposited solutions. The surface appearance of Pd-Au catalysts changes from rime-shaped structure, to feather-like construction, then to pineapple root-like structure and finally to flower-like configuration with the increase of PdCl 2 content in electrolytes. These particular three-dimensional structures may be very suitable for H 2 O 2 electro-reduction, which assures a high utilization of Pd-Au catalysts and provides a large specific surface area. The electro-catalytic activities of H 2 O 2 reduction on the Pd-Au/TiC electrodes improve as increasing the Pd content in Pd-Au alloy catalysts. The pineapple root-like Pd 5 Au 1 /TiC electrode reveals remarkably excellent electrochemical property and desirable stability for catalyzing H 2 O 2 reduction in acid media. The direct peroxide-peroxide fuel cells with a 10 cm 3 min -1 flow rate display the open circuit voltage (OCV) of 0.85V and the peak power density of 56.5mWcm -2 at 155mAcm -2 with desirable cell stability, which is much higher than those previously reported. Copyright © 2017 Elsevier Inc. All rights reserved.

Uncertainty in peat volume and soil carbon estimated using ground-penetrating radar and probing

Treesearch

Andrew D. Parsekian; Lee Slater; Dimitrios Ntarlagiannis; James Nolan; Stephen D. Sebestyen; Randall K. Kolka; Paul J. Hanson

2012-01-01

Estimating soil C stock in a peatland is highly dependent on accurate measurement of the peat volume. In this study, we evaluated the uncertainty in calculations of peat volume using high-resolution data to resolve the three-dimensional structure of a peat basin based on both direct (push probes) and indirect geophysical (ground-penetrating radar) measurements. We...

Direct laser writing of polymeric nanostructures via optically induced local thermal effect

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

Tong, Quang Cong; Institute of Materials Science, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Cau Giay, 10000 Hanoi; Nguyen, Dam Thuy Trang

We demonstrate the fabrication of desired structures with feature size below the diffraction limit by use of a positive photoresist. The direct laser writing technique employing a continuous-wave laser was used to optically induce a local thermal effect in a positive photoresist, which then allowed the formation of solid nanostructures. This technique enabled us to realize multi-dimensional sub-microstructures by use of a positive photoresist, with a feature size down to 57 nm. This mechanism acting on positive photoresists opens a simple and low-cost way for nanofabrication.

Characterization of Nanoporous as a Medium for Size-Selective Filtration, Preconcentration, and Detection of Biomolecules

DTIC Science & Technology

2016-07-04

dimensional patterning and morphological control of porous nanomaterials by gray -scale direct imprinting, Scientific Reports, (03 2013): 1502. doi: 10.1038...detection with the exception that a different DNA apatamer sequence was required:  5’-GAT CGG GTG TGG GTG GCG TAA AGG GAG CAT CGG ACA-3’. Figure 6b shows...nanomaterials by gray -scale direct imprinting," Sci Rep 3, 1502 (2013). 8J. D. Ryckman, M. Liscidini, J. E. Sipe, S. M. Weiss, "Porous silicon structures

Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.

PubMed

Bilc, Daniel I; Hautier, Geoffroy; Waroquiers, David; Rignanese, Gian-Marco; Ghosez, Philippe

2015-04-03

Thermoelectrics are promising for addressing energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor. The latter imposes apparently conflicting requirements on the band structure: a narrow energy distribution and a low effective mass. Quantum confinement in nanostructures and the introduction of resonant states were suggested as possible solutions to this paradox, but with limited success. Here, we propose an original approach to fulfill both requirements in bulk semiconductors. It exploits the highly directional character of some orbitals to engineer the band structure and produce a type of low-dimensional transport similar to that targeted in nanostructures, while retaining isotropic properties. Using first-principle calculations, the theoretical concept is demonstrated in Fe2YZ Heusler compounds, yielding power factors 4 to 5 times larger than in classical thermoelectrics at room temperature. Our findings are totally generic and rationalize the search of alternative compounds with similar behavior. Beyond thermoelectricity, these might be relevant also in the context of electronic, superconducting, or photovoltaic applications.

Pseudo-Jahn-Teller Distortion in Two-Dimensional Phosphorus: Origin of Black and Blue Phases of Phosphorene and Band Gap Modulation by Molecular Charge Transfer.

PubMed

Chowdhury, Chandra; Jahiruddin, Sheik; Datta, Ayan

2016-04-07

Phosphorene (Pn) is stabilized as a layered material like graphite, yet it possess a natural direct band gap (Eg = 2.0 eV). Interestingly, unlike graphene, Pn exhibits a much richer phase diagram which includes distorted forms like the stapler-clip (black Pn, α form) and chairlike (blue Pn, β form) structures. The existence of these phases is attributed to pseudo-Jahn-Teller (PJT) instability of planar hexagonal P6(6-) rings. In both cases, the condition for vibronic instability of the planar P6(6-) rings is satisfied. Doping with electron donors like tetrathiafulvalene and tetraamino-tetrathiafulvalene and electron acceptors like tetracyanoquinodimethane and tetracyanoethylene convert blue Pn into N-type and black Pn into efficient P-type semiconductors, respectively. Interestingly, pristine blue Pn, an indirect gap semiconductor, gets converted into a direct gap semiconductor on electron or hole doping. Because of comparatively smaller undulation in blue Pn (with respect to black Pn), the van der Waals interactions between the dopants and blue Pn is stronger. PJT distortions for two-dimensional phosphorus provides a unified understanding of structural features and chemical reactivity in its different phases.

Quadratic band touching points and flat bands in two-dimensional topological Floquet systems

NASA Astrophysics Data System (ADS)

Du, Liang; Zhou, Xiaoting; Fiete, Gregory A.

2017-01-01

In this paper we theoretically study, using Floquet-Bloch theory, the influence of circularly and linearly polarized light on two-dimensional band structures with Dirac and quadratic band touching points, and flat bands, taking the nearest neighbor hopping model on the kagome lattice as an example. We find circularly polarized light can invert the ordering of this three-band model, while leaving the flat band dispersionless. We find a small gap is also opened at the quadratic band touching point by two-photon and higher order processes. By contrast, linearly polarized light splits the quadratic band touching point (into two Dirac points) by an amount that depends only on the amplitude and polarization direction of the light, independent of the frequency, and generally renders dispersion to the flat band. The splitting is perpendicular to the direction of the polarization of the light. We derive an effective low-energy theory that captures these key results. Finally, we compute the frequency dependence of the optical conductivity for this three-band model and analyze the various interband contributions of the Floquet modes. Our results suggest strategies for optically controlling band structure and interaction strength in real systems.

Two Topologically Distinct Dirac-Line Semimetal Phases and Topological Phase Transitions in Rhombohedrally Stacked Honeycomb Lattices

NASA Astrophysics Data System (ADS)

Hyart, T.; Ojajärvi, R.; Heikkilä, T. T.

2018-04-01

Three-dimensional topological semimetals can support band crossings along one-dimensional curves in the momentum space (nodal lines or Dirac lines) protected by structural symmetries and topology. We consider rhombohedrally (ABC) stacked honeycomb lattices supporting Dirac lines protected by time-reversal, inversion and spin rotation symmetries. For typical band structure parameters there exists a pair of nodal lines in the momentum space extending through the whole Brillouin zone in the stacking direction. We show that these Dirac lines are topologically distinct from the usual Dirac lines which form closed loops inside the Brillouin zone. In particular, an energy gap can be opened only by first merging the Dirac lines going through the Brillouin zone in a pairwise manner so that they turn into closed loops inside the Brillouin zone, and then by shrinking these loops into points. We show that this kind of topological phase transition can occur in rhombohedrally stacked honeycomb lattices by tuning the ratio of the tunneling amplitudes in the directions perpendicular and parallel to the layers. We also discuss the properties of the surface states in the different phases of the model.

Rapid Prototyping Integrated With Nondestructive Evaluation and Finite Element Analysis

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Baaklini, George Y.

2001-01-01

Most reverse engineering approaches involve imaging or digitizing an object then creating a computerized reconstruction that can be integrated, in three dimensions, into a particular design environment. Rapid prototyping (RP) refers to the practical ability to build high-quality physical prototypes directly from computer aided design (CAD) files. Using rapid prototyping, full-scale models or patterns can be built using a variety of materials in a fraction of the time required by more traditional prototyping techniques (refs. 1 and 2). Many software packages have been developed and are being designed to tackle the reverse engineering and rapid prototyping issues just mentioned. For example, image processing and three-dimensional reconstruction visualization software such as Velocity2 (ref. 3) are being used to carry out the construction process of three-dimensional volume models and the subsequent generation of a stereolithography file that is suitable for CAD applications. Producing three-dimensional models of objects from computed tomography (CT) scans is becoming a valuable nondestructive evaluation methodology (ref. 4). Real components can be rendered and subjected to temperature and stress tests using structural engineering software codes. For this to be achieved, accurate high-resolution images have to be obtained via CT scans and then processed, converted into a traditional file format, and translated into finite element models. Prototyping a three-dimensional volume of a composite structure by reading in a series of two-dimensional images generated via CT and by using and integrating commercial software (e.g. Velocity2, MSC/PATRAN (ref. 5), and Hypermesh (ref. 6)) is being applied successfully at the NASA Glenn Research Center. The building process from structural modeling to the analysis level is outlined in reference 7. Subsequently, a stress analysis of a composite cooling panel under combined thermomechanical loading conditions was performed to validate this process.

Two-dimensional microsphere quasi-crystal: fabrication and properties

NASA Astrophysics Data System (ADS)

Noginova, Natalia E.; Venkateswarlu, Putcha; Kukhtarev, Nickolai V.; Sarkisov, Sergey S.; Noginov, Mikhail A.; Caulfield, H. John; Curley, Michael J.

1996-11-01

2D quasi-crystals were fabricated from polystyrene microspheres and characterized for their structural, diffraction, and non-linear optics properties. The quasi- crystals were produced with the method based on Langmuir- Blodgett thin film technique. Illuminating the crystal with the laser beam, we observed the diffraction pattern in the direction of the beam propagation and in the direction of the back scattering, similar to the x-ray Laue pattern observed in regular crystals with hexagonal structure. The absorption spectrum of the quasi-crystal demonstrated two series of regular maxima and minima, with the spacing inversely proportional to the microspheres diameter. Illumination of the dye-doped microspheres crystal with Q- switched radiation of Nd:YAG laser showed the enhancement of non-linear properties, in particular, second harmonic generation.

Stable holey two-dimensional C2N structures with tunable electronic structure

NASA Astrophysics Data System (ADS)

Longuinhos, R.; Ribeiro-Soares, J.

2018-05-01

C2N holey two-dimensional crystals, or C2N -h2D, a recently synthesized carbon nitride layered material, show promising properties for electronic devices, highly selective molecular filters, and supercapacitors. Few studies have investigated the stacking order in C2N -h2D, which is fundamental to determine its optical activity and plays an important role in its band gap and in the diffusion barrier for ions and molecules through its structure. In this work, we investigate the phonon stability of several bulk C2N -h2D polytypes by using first-principles calculations. Among the polytypes addressed, only one does not display phonon instabilities and is expected to be observed in equilibrium. The electronic structure evolution of dynamically stable C2N -h2D from monolayer to bilayer and to bulk is unveiled. The direct band gap at Γ can be decreased by 34% from monolayer to bulk, offering opportunities for tuning it in optoelectronics. In addition, the effective masses of both carriers become smaller as the number of layers increases, and their anisotropy along in-plane directions displayed in the monolayer is reduced, which suggest that the carrier mobility may be tuned as well. These effects are then explained according to the interaction of the orbitals in neighboring layers. The results presented here shed light on the geometry and electronic structure of an emerging layered material due to its specific stacking and increasing number of layers and suggest new perspectives for applications in optoelectronics.

Fractal dimension of trabecular bone projection texture is related to three-dimensional microarchitecture.

PubMed

Pothuaud, L; Benhamou, C L; Porion, P; Lespessailles, E; Harba, R; Levitz, P

2000-04-01

The purpose of this work was to understand how fractal dimension of two-dimensional (2D) trabecular bone projection images could be related to three-dimensional (3D) trabecular bone properties such as porosity or connectivity. Two alteration processes were applied to trabecular bone images obtained by magnetic resonance imaging: a trabeculae dilation process and a trabeculae removal process. The trabeculae dilation process was applied from the 3D skeleton graph to the 3D initial structure with constant connectivity. The trabeculae removal process was applied from the initial structure to an altered structure having 99% of porosity, in which both porosity and connectivity were modified during this second process. Gray-level projection images of each of the altered structures were simply obtained by summation of voxels, and fractal dimension (Df) was calculated. Porosity (phi) and connectivity per unit volume (Cv) were calculated from the 3D structure. Significant relationships were found between Df, phi, and Cv. Df values increased when porosity increased (dilation and removal processes) and when connectivity decreased (only removal process). These variations were in accordance with all previous clinical studies, suggesting that fractal evaluation of trabecular bone projection has real meaning in terms of porosity and connectivity of the 3D architecture. Furthermore, there was a statistically significant linear dependence between Df and Cv when phi remained constant. Porosity is directly related to bone mineral density and fractal dimension can be easily evaluated in clinical routine. These two parameters could be associated to evaluate the connectivity of the structure.

Anisotropic shrinkage of insect air sacs revealed in vivo by X-ray microtomography

NASA Astrophysics Data System (ADS)

Xu, Liang; Chen, Rongchang; Du, Guohao; Yang, Yiming; Wang, Feixiang; Deng, Biao; Xie, Honglan; Xiao, Tiqiao

2016-09-01

Air sacs are thought to be the bellows for insect respiration. However, their exact mechanism of action as a bellows remains unclear. A direct way to investigate this problem is in vivo observation of the changes in their three-dimensional structures. Therefore, four-dimensional X-ray phase contrast microtomography is employed to solve this puzzle. Quantitative analysis of three-dimensional image series reveals that the compression of the air sac during respiration in bell crickets exhibits obvious anisotropic characteristics both longitudinally and transversely. Volumetric changes of the tracheal trunks in the prothorax further strengthen the evidence of this finding. As a result, we conclude that the shrinkage and expansion of the insect air sac is anisotropic, contrary to the hypothesis of isotropy, thereby providing new knowledge for further research on the insect respiratory system.

Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap

NASA Astrophysics Data System (ADS)

Spiwok, Vojtěch; Králová, Blanka

2011-12-01

Atomic motions in molecules are not linear. This infers that nonlinear dimensionality reduction methods can outperform linear ones in analysis of collective atomic motions. In addition, nonlinear collective motions can be used as potentially efficient guides for biased simulation techniques. Here we present a simulation with a bias potential acting in the directions of collective motions determined by a nonlinear dimensionality reduction method. Ad hoc generated conformations of trans,trans-1,2,4-trifluorocyclooctane were analyzed by Isomap method to map these 72-dimensional coordinates to three dimensions, as described by Brown and co-workers [J. Chem. Phys. 129, 064118 (2008)]. Metadynamics employing the three-dimensional embeddings as collective variables was applied to explore all relevant conformations of the studied system and to calculate its conformational free energy surface. The method sampled all relevant conformations (boat, boat-chair, and crown) and corresponding transition structures inaccessible by an unbiased simulation. This scheme allows to use essentially any parameter of the system as a collective variable in biased simulations. Moreover, the scheme we used for mapping out-of-sample conformations from the 72D to 3D space can be used as a general purpose mapping for dimensionality reduction, beyond the context of molecular modeling.

Design and fabrication of planar structures with graded electromagnetic properties

NASA Astrophysics Data System (ADS)

Good, Brandon Lowell

Successfully integrating electromagnetic properties in planar structures offers numerous benefits to the microwave and optical communities. This work aims at formulating new analytic and optimized design methods, creating new fabrication techniques for achieving those methods, and matching appropriate implementation of methods to fabrication techniques. The analytic method consists of modifying an approach that realizes perfect antireflective properties from graded profiles. This method is shown for all-dielectric and magneto-dielectric grading profiles. The optimized design methods are applied to transformer (discrete) or taper (continuous) designs. From these methods, a subtractive and an additive manufacturing technique were established and are described. The additive method, dry powder dot deposition, enables three dimensional varying electromagnetic properties in a structural composite. Combining the methods and fabrication is shown in two applied methodologies. The first uses dry powder dot deposition to design one dimensionally graded electromagnetic profiles in a planar fiberglass composite. The second method simultaneously applies antireflective properties and adjusts directivity through a slab through the use of subwavelength structures to achieve a flat antireflective lens. The end result of this work is a complete set of methods, formulations, and fabrication techniques to achieve integrated electromagnetic properties in planar structures.

The three-dimensional structures of bacterial reaction centers.

PubMed

Olson, T L; Williams, J C; Allen, J P

2014-05-01

This review presents a broad overview of the research that enabled the structure determination of the bacterial reaction centers from Blastochloris viridis and Rhodobacter sphaeroides, with a focus on the contributions from Duysens, Clayton, and Feher. Early experiments performed in the laboratory of Duysens and others demonstrated the utility of spectroscopic techniques and the presence of photosynthetic complexes in both oxygenic and anoxygenic photosynthesis. The laboratories of Clayton and Feher led efforts to isolate and characterize the bacterial reaction centers. The availability of well-characterized preparations of pure and stable reaction centers allowed the crystallization and subsequent determination of the structures using X-ray diffraction. The three-dimensional structures of reaction centers revealed an overall arrangement of two symmetrical branches of cofactors surrounded by transmembrane helices from the L and M subunits, which also are related by the same twofold symmetry axis. The structure has served as a framework to address several issues concerning bacterial photosynthesis, including the directionality of electron transfer, the properties of the reaction center-cytochrome c 2 complex, and the coupling of proton and electron transfer. Together, these research efforts laid the foundation for ongoing efforts to address an outstanding question in oxygenic photosynthesis, namely the molecular mechanism of water oxidation.

Aminosilane-Assisted Electrodeposition of Gold Nanodendrites and Their Catalytic Properties

PubMed Central

Hau, Nga Yu; Yang, Peixian; Liu, Chang; Wang, Jian; Lee, Po-Heng; Feng, Shien-Ping

2017-01-01

A promising alternative route for the synthesis of three-dimensional Au dendrites was developed by direct electrodeposition from a solution of HAuCl4 containing 3-aminopropyltriethoxysilane (APTS). Ultraviolet-visible spectroscopy, fourier transform infrared spectroscopy and isothermal titration calorimetry were used to study the interaction of APTS in electrolyte. The effect of APTS on the formation of the hierarchical structure of Au dendrites was investigated by cyclic voltammetry, rotating disk electrode, electrochemical impedance spectroscopy and quartz crystal microbalance. The growth directions of the trunks and branches of the Au dendrites can be controlled by sweep-potential electrodeposition to obtain more regular structures. The efficacy of as-synthesised Au dendrites was demonstrated in the enhanced electro-catalytic activity to methanol electro-oxidation and the high sensitivity of glucose detection, which have potential applications in direct-methanol fuel cells and non-enzymatic electrochemical glucose biosensors, respectively. PMID:28045064

Aminosilane-Assisted Electrodeposition of Gold Nanodendrites and Their Catalytic Properties

NASA Astrophysics Data System (ADS)

Hau, Nga Yu; Yang, Peixian; Liu, Chang; Wang, Jian; Lee, Po-Heng; Feng, Shien-Ping

2017-01-01

A promising alternative route for the synthesis of three-dimensional Au dendrites was developed by direct electrodeposition from a solution of HAuCl4 containing 3-aminopropyltriethoxysilane (APTS). Ultraviolet-visible spectroscopy, fourier transform infrared spectroscopy and isothermal titration calorimetry were used to study the interaction of APTS in electrolyte. The effect of APTS on the formation of the hierarchical structure of Au dendrites was investigated by cyclic voltammetry, rotating disk electrode, electrochemical impedance spectroscopy and quartz crystal microbalance. The growth directions of the trunks and branches of the Au dendrites can be controlled by sweep-potential electrodeposition to obtain more regular structures. The efficacy of as-synthesised Au dendrites was demonstrated in the enhanced electro-catalytic activity to methanol electro-oxidation and the high sensitivity of glucose detection, which have potential applications in direct-methanol fuel cells and non-enzymatic electrochemical glucose biosensors, respectively.

On the quasi-conical flowfield structure of the swept shock wave-turbulent boundary layer interaction

NASA Technical Reports Server (NTRS)

Knight, Doyle D.; Badekas, Dias

1991-01-01

The swept oblique shock-wave/turbulent-boundary-layer interaction generated by a 20-deg sharp fin at Mach 4 and Reynolds number 21,000 is investigated via a series of computations using both conical and three-dimensional Reynolds-averaged Navier-Stokes equations with turbulence incorporated through the algebraic turbulent eddy viscosity model of Baldwin-Lomax. Results are compared with known experimental data, and it is concluded that the computed three-dimensional flowfield is quasi-conical (in agreement with the experimental data), the computed three-dimensional and conical surface pressure and surface flow direction are in good agreement with the experiment, and the three-dimensional and conical flows significantly underpredict the peak experimental skin friction. It is pointed out that most of the features of the conical flowfield model in the experiment are observed in the conical computation which also describes the complete conical streamline pattern not included in the model of the experiment.

Nanostructuring one-dimensional and amorphous lithium peroxide for high round-trip efficiency in lithium-oxygen batteries.

PubMed

Dutta, Arghya; Wong, Raymond A; Park, Woonghyeon; Yamanaka, Keisuke; Ohta, Toshiaki; Jung, Yousung; Byon, Hye Ryung

2018-02-14

The major challenge facing lithium-oxygen batteries is the insulating and bulk lithium peroxide discharge product, which causes sluggish decomposition and increasing overpotential during recharge. Here, we demonstrate an improved round-trip efficiency of ~80% by means of a mesoporous carbon electrode, which directs the growth of one-dimensional and amorphous lithium peroxide. Morphologically, the one-dimensional nanostructures with small volume and high surface show improved charge transport and promote delithiation (lithium ion dissolution) during recharge and thus plays a critical role in the facile decomposition of lithium peroxide. Thermodynamically, density functional calculations reveal that disordered geometric arrangements of the surface atoms in the amorphous structure lead to weaker binding of the key reaction intermediate lithium superoxide, yielding smaller oxygen reduction and evolution overpotentials compared to the crystalline surface. This study suggests a strategy to enhance the decomposition rate of lithium peroxide by exploiting the size and shape of one-dimensional nanostructured lithium peroxide.

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.

Aligning Microtomography Analysis with Traditional Anatomy for a 3D Understanding of the Host-Parasite Interface – Phoradendron spp. Case Study

PubMed Central

Teixeira-Costa, Luíza; Ceccantini, Gregório C. T.

2016-01-01

The complex endophytic structure formed by parasitic plant species often represents a challenge in the study of the host-parasite interface. Even with the large amounts of anatomical slides, a three-dimensional comprehension of the structure may still be difficult to obtain. In the present study we applied the High Resolution X-ray Computed Tomography (HRXCT) analysis along with usual plant anatomy techniques in order to compare the infestation pattern of two mistletoe species of the genus Phoradendron. Additionally, we tested the use of contrasting solutions in order to improve the detection of the parasite’s endophytic tissue. To our knowledge, this is the first study to show the three-dimensional structure of host-mistletoe interface by using HRXCT technique. Results showed that Phoradendron perrottetii growing on the host Tapirira guianensis forms small woody galls with a restricted endophytic system. The sinkers were short and eventually grouped creating a continuous interface with the host wood. On the other hand, the long sinkers of P. bathyoryctum penetrate deeply into the wood of Cedrela fissilis branching in all directions throughout the woody gall area, forming a spread-out infestation pattern. The results indicate that the HRXCT is indeed a powerful approach to understand the endophytic system of parasitic plants. The combination of three-dimensional models of the infestation with anatomical analysis provided a broader understanding of the host-parasite connection. Unique anatomic features are reported for the sinkes of P. perrottetii, while the endophytic tissue of P. bathyoryctum conformed to general anatomy observed for other species of this genus. These differences are hypothesized to be related to the three-dimensional structure of each endophytic system and the communication stablished with the host. PMID:27630661

1D helix, 2D brick-wall and herringbone, and 3D interpenetration d10 metal-organic framework structures assembled from pyridine-2,6-dicarboxylic acid N-oxide.

PubMed

Wen, Li-Li; Dang, Dong-Bin; Duan, Chun-Ying; Li, Yi-Zhi; Tian, Zheng-Fang; Meng, Qing-Jin

2005-10-03

Five novel interesting d(10) metal coordination polymers, [Zn(PDCO)(H2O)2]n (PDCO = pyridine-2,6-dicarboxylic acid N-oxide) (1), [Zn2(PDCO)2(4,4'-bpy)2(H2O)2.3H2O]n (bpy = bipyridine) (2), [Zn(PDCO)(bix)]n (bix = 1,4-bis(imidazol-1-ylmethyl)benzene) (3), [Zn(PDCO)(bbi).0.5H2O]n (bbi = 1,1'-(1,4-butanediyl)bis(imidazole)) (4), and [Cd(PDCO)(bix)(1.5).1.5H2O]n (5), have been synthesized under hydrothermal conditions and structurally characterized. Polymer 1 possesses a one-dimensional (1D) helical chainlike structure with 4(1) helices running along the c-axis with a pitch of 10.090 Angstroms. Polymer 2 has an infinite chiral two-dimensional (2D) brick-wall-like layer structure in the ac plane built from achiral components, while both 3 and 4 exhibit an infinite 2D herringbone architecture, respectively extended in the ac and ab plane. Polymer 5 features a most remarkable and unique three-dimensional (3D) porous framework with 2-fold interpenetration related by symmetry, which contains channels in the b and c directions, both distributed in a rectangular grid fashion. Compounds 1-5, with systematic variation in dimensionality from 1D to 2D to 3D, are the first examples of d(10) metal coordination polymers into which pyridinedicarboxylic acid N-oxide has been introduced. In addition, polymers 1, 4, and 5 display strong blue fluorescent emissions in the solid state. Polymer 3 exhibits a strong SHG response, estimated to be approximately 0.9 times that of urea.

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

Numerical Simulation of the Vortex-Induced Vibration of A Curved Flexible Riser in Shear Flow

NASA Astrophysics Data System (ADS)

Zhu, Hong-jun; Lin, Peng-zhi

2018-06-01

A series of fully three-dimensional (3D) numerical simulations of flow past a free-to-oscillate curved flexible riser in shear flow were conducted at Reynolds number of 185-1015. The numerical results obtained by the two-way fluid-structure interaction (FSI) simulations are in good agreement with the experimental results reported in the earlier study. It is further found that the frequency transition is out of phase not only in the inline (IL) and crossflow (CF) directions but also along the span direction. The mode competition leads to the non-zero nodes of the rootmean- square (RMS) amplitude and the relatively chaotic trajectories. The fluid-structure interaction is to some extent reflected by the transverse velocity of the ambient fluid, which reaches the maximum value when the riser reaches the equilibrium position. Moreover, the local maximum transverse velocities occur at the peak CF amplitudes, and the values are relatively large when the vibration is in the resonance regions. The 3D vortex columns are shed nearly parallel to the axis of the curved flexible riser. As the local Reynolds number increases from 0 at the bottom of the riser to the maximum value at the top, the wake undergoes a transition from a two-dimensional structure to a 3D one. More irregular small-scale vortices appeared at the wake region of the riser, undergoing large amplitude responses.

Invariant Theory for Dispersed Transverse Isotropy: An Efficient Means for Modeling Fiber Splay

NASA Technical Reports Server (NTRS)

Freed, alan D.; Einstein, Daniel R.; Vesely, Ivan

2004-01-01

Most soft tissues possess an oriented architecture of collagen fiber bundles, conferring both anisotropy and nonlinearity to their elastic behavior. Transverse isotropy has often been assumed for a subset of these tissues that have a single macroscopically-identifiable preferred fiber direction. Micro-structural studies, however, suggest that, in some tissues, collagen fibers are approximately normally distributed about a mean preferred fiber direction. Structural constitutive equations that account for this dispersion of fibers have been shown to capture the mechanical complexity of these tissues quite well. Such descriptions, however, are computationally cumbersome for two-dimensional (2D) fiber distributions, let alone for fully three-dimensional (3D) fiber populations. In this paper, we develop a new constitutive law for such tissues, based on a novel invariant theory for dispersed transverse isotropy. The invariant theory is based on a novel closed-form splay invariant that can easily handle 3D fiber populations, and that only requires a single parameter in the 2D case. The model is polyconvex and fits biaxial data for aortic valve tissue as accurately as the standard structural model. Modification of the fiber stress-strain law requires no re-formulation of the constitutive tangent matrix, making the model flexible for different types of soft tissues. Most importantly, the model is computationally expedient in a finite-element analysis.

Unsteady three-dimensional marginal separation caused by surface-mounted obstacles and/or local suction

NASA Astrophysics Data System (ADS)

Braun, Stefan; Kluwick, Alfred

2004-09-01

Earlier investigations of steady two-dimensional marginally separated laminar boundary layers have shown that the non-dimensional wall shear (or equivalently the negative non-dimensional perturbation displacement thickness) is governed by a nonlinear integro-differential equation. This equation contains a single controlling parameter Gamma characterizing, for example, the angle of attack of a slender airfoil and has the important property that (real) solutions exist up to a critical value Gamma_c of Gamma only. Here we investigate three-dimensional unsteady perturbations of an incompressible steady two-dimensional marginally separated laminar boundary layer with special emphasis on the flow behaviour near Gamma_c. Specifically, it is shown that the integro differential equation which governs these disturbances if Gamma_c {-} Gamma {=} O(1) reduces to a nonlinear partial differential equation known as the Fisher equation as Gamma approaches the critical value Gamma_c. This in turn leads to a significant simplification of the problem allowing, among other things, a systematic study of devices used in boundary-layer control and an analytical investigation of the conditions leading to the formation of finite-time singularities which have been observed in earlier numerical studies of unsteady two-dimensional and three-dimensional flows in the vicinity of a line of symmetry. Also, it is found that it is possible to construct exact solutions which describe waves of constant form travelling in the spanwise direction. These waves may contain singularities which can be interpreted as vortex sheets. The existence of these solutions strongly suggests that solutions of the Fisher equation which lead to finite-time blow-up may be extended beyond the blow-up time, thereby generating moving singularities which can be interpreted as vortical structures qualitatively similar to those emerging in direct numerical simulations of near critical (i.e. transitional) laminar separation bubbles. This is supported by asymptotic analysis.

Carbon Microfibers with Hierarchical Porous Structure from Electrospun Fiber-Like Natural Biopolymer

NASA Astrophysics Data System (ADS)

Liang, Yeru; Wu, Dingcai; Fu, Ruowen

2013-01-01

Electrospinning offers a powerful route for building one-dimensional (1D) micro/nanostructures, but a common requirement for toxic or corrosive organic solvents during the preparation of precursor solution has limited their large scale synthesis and broad applications. Here we report a facile and low-cost way to prepare 1D porous carbon microfibers by using an electrospun fiber-like natural product, i.e., silk cocoon, as precursor. We surprisingly found that by utilizing a simple carbonization treatment, the cocoon microfiber can be directly transformed into 1D carbon microfiber of ca. 6 μm diameter with a unique three-dimensional porous network structure composed of interconnected carbon nanoparticles of 10~40 nm diameter. We further showed that the as-prepared carbon product presents superior electrochemical performance as binder-free electrodes of supercapacitors and good adsorption property toward organic vapor.

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology.

PubMed

Peng, Qing; Dearden, Albert K; Crean, Jared; Han, Liang; Liu, Sheng; Wen, Xiaodong; De, Suvranu

2014-01-01

Plenty of new two-dimensional materials including graphyne, graphdiyne, graphone, and graphane have been proposed and unveiled after the discovery of the "wonder material" graphene. Graphyne and graphdiyne are two-dimensional carbon allotropes of graphene with honeycomb structures. Graphone and graphane are hydrogenated derivatives of graphene. The advanced and unique properties of these new materials make them highly promising for applications in next generation nanoelectronics. Here, we briefly review their properties, including structural, mechanical, physical, and chemical properties, as well as their synthesis and applications in nanotechnology. Graphyne is better than graphene in directional electronic properties and charge carriers. With a band gap and magnetism, graphone and graphane show important applications in nanoelectronics and spintronics. Because these materials are close to graphene and will play important roles in carbon-based electronic devices, they deserve further, careful, and thorough studies for nanotechnology applications.