Maximal Outboxes of Quadrilaterals

ERIC Educational Resources Information Center

Zhao, Dongsheng

2011-01-01

An outbox of a quadrilateral is a rectangle such that each vertex of the given quadrilateral lies on one side of the rectangle and different vertices lie on different sides. We first investigate those quadrilaterals whose every outbox is a square. Next, we consider the maximal outboxes of rectangles and those quadrilaterals with perpendicular…

Holistic face perception is modulated by experience-dependent perceptual grouping.

PubMed

Curby, Kim M; Entenman, Robert J; Fleming, Justin T

2016-07-01

What role do general-purpose, experience-sensitive perceptual mechanisms play in producing characteristic features of face perception? We previously demonstrated that different-colored, misaligned framing backgrounds, designed to disrupt perceptual grouping of face parts appearing upon them, disrupt holistic face perception. In the current experiments, a similar part-judgment task with composite faces was performed: face parts appeared in either misaligned, different-colored rectangles or aligned, same-colored rectangles. To investigate whether experience can shape impacts of perceptual grouping on holistic face perception, a pre-task fostered the perception of either (a) the misaligned, differently colored rectangle frames as parts of a single, multicolored polygon or (b) the aligned, same-colored rectangle frames as a single square shape. Faces appearing in the misaligned, differently colored rectangles were processed more holistically by those in the polygon-, compared with the square-, pre-task group. Holistic effects for faces appearing in aligned, same-colored rectangles showed the opposite pattern. Experiment 2, which included a pre-task condition fostering the perception of the aligned, same-colored frames as pairs of independent rectangles, provided converging evidence that experience can modulate impacts of perceptual grouping on holistic face perception. These results are surprising given the proposed impenetrability of holistic face perception and provide insights into the elusive mechanisms underlying holistic perception.

An exact plane-stress solution for a class of problems in orthotropic elasticity

NASA Technical Reports Server (NTRS)

Erb, D. A.; Cooper, P. A.; Weisshaar, T. A.

1982-01-01

An exact solution for the stress field within a rectangular slab of orthotropic material is found using a two dimensional Fourier series formulation. The material is required to be in plane stress, with general stress boundary conditions, and the principle axes of the material must be parallel to the sides of the rectangle. Two load cases similar to those encountered in materials testing are investigated using the solution. The solution method has potential uses in stress analysis of composite structures.

Enumeration of Rectangles in a Tableau Shape

ERIC Educational Resources Information Center

Mingus, Tabitha T. Y.; Grassl, Richard M.; Diaz, Ricardo; Andrew, Lane; Parker, Frieda

2010-01-01

This article analyzes the challenge of counting the number of rectangles of all sizes in the n-tableau and to provide a combinatorial reason for the answer. The authors present a solution on enumerating rectangles in the n-tableau using Grassl and Mingus results. The authors demonstrate their conjecture for the n-tableau and attempt to apply their…

Connecting Ellipses to Rectangles in Passive Scalar Transport

NASA Astrophysics Data System (ADS)

Aminian, Manuchehr; Bernardi, Francesca; Camassa, Roberto; Harris, Daniel; McLaughlin, Richard

2017-11-01

We study how passive scalar transport in Poiseuille flow is affected by the shape of the pipe cross section. Our previous results have established nontrivial dependence of the skewness of the tracer distribution upon the pipe shape. Previously, we have studied the families of rectangles and ellipses, with the behavior past diffusive timescales primarily depending on aspect ratio, and the type of geometry being secondary. However, at timescales well before the diffusion timescale, the family of ellipses is distinct compared to rectangles. We investigate this phenomenon by studying a collection of exotic cross sections connecting the ellipses and rectangles, using a combination of theoretical and computational tools.

Tailoring polarization of electromagnetically induced transparency based on non-centrosymmetric metasurfaces

NASA Astrophysics Data System (ADS)

Li, Hai-ming; Xue, Feng

2017-09-01

In this manuscript, tailoring polarization of analogy of electromagnetically induced transparency (EIT-like) based on non-centrosymmetric metasurfaces has been numerically and experimentally demonstrated. The EIT-like metamaterial is composed of a rectangle ring and two cut wires. The rectangle ring and the cut wire are chosen as the bright mode and the quasi-dark mode, respectively. Under the incident electromagnetic wave excitation, a polarization insensitive EIT-like transmission window can be observed at specific polarization angles. Within the transmission window, the phase steeply changes, which leads to the large group index. Tailoring polarization of EIT-like metamaterial with large group index at specific polarization angles may have potential application in slow light devices.

MDTri: robust and efficient global mixed integer search of spaces of multiple ternary alloys: A DIRECT-inspired optimization algorithm for experimentally accessible computational material design

DOE PAGES

Graf, Peter A.; Billups, Stephen

2017-07-24

Computational materials design has suffered from a lack of algorithms formulated in terms of experimentally accessible variables. Here we formulate the problem of (ternary) alloy optimization at the level of choice of atoms and their composition that is normal for synthesists. Mathematically, this is a mixed integer problem where a candidate solution consists of a choice of three elements, and how much of each of them to use. This space has the natural structure of a set of equilateral triangles. We solve this problem by introducing a novel version of the DIRECT algorithm that (1) operates on equilateral triangles insteadmore » of rectangles and (2) works across multiple triangles. We demonstrate on a test case that the algorithm is both robust and efficient. Lastly, we offer an explanation of the efficacy of DIRECT -- specifically, its balance of global and local search -- by showing that 'potentially optimal rectangles' of the original algorithm are akin to the Pareto front of the 'multi-component optimization' of global and local search.« less

MDTri: robust and efficient global mixed integer search of spaces of multiple ternary alloys: A DIRECT-inspired optimization algorithm for experimentally accessible computational material design

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

Graf, Peter A.; Billups, Stephen

Computational materials design has suffered from a lack of algorithms formulated in terms of experimentally accessible variables. Here we formulate the problem of (ternary) alloy optimization at the level of choice of atoms and their composition that is normal for synthesists. Mathematically, this is a mixed integer problem where a candidate solution consists of a choice of three elements, and how much of each of them to use. This space has the natural structure of a set of equilateral triangles. We solve this problem by introducing a novel version of the DIRECT algorithm that (1) operates on equilateral triangles insteadmore » of rectangles and (2) works across multiple triangles. We demonstrate on a test case that the algorithm is both robust and efficient. Lastly, we offer an explanation of the efficacy of DIRECT -- specifically, its balance of global and local search -- by showing that 'potentially optimal rectangles' of the original algorithm are akin to the Pareto front of the 'multi-component optimization' of global and local search.« less

Influence of substrate micropatterning on biofilm growth

NASA Astrophysics Data System (ADS)

Koehler, Stephan; Li, Yiwei; Liu, Bi-Feng Liu; Weitz, David

2015-11-01

We culture triple reporter Bacillus Subtilis biofilm on micropatterned agar substrates. We track the biofilm development in terms of size, thickness, shape, and phenotype expression. For a tiling composed of elevated rectangles, we observe the biofilm develops an oval shape or triangular shape depending on the rectangle's aspect ratio and orientation. The motile cells are primarily located in the valleys between the rectangles and the matrix producing cells are mostly located on the rectangles. Wrinkles form at the edges of the elevated surfaces, and upon merging form channels centered on the elevated surface. After a few days, the spore-forming cells appear at the periphery. Since biofilms in nature grow on irregular surfaces, our work may provide insight into the complex patterns observed.

Proceedings of the Image Understanding Workshop (18th) Held in Cambridge, Massachusetts on 6-8 April 1988. Volume 1

DTIC Science & Technology

1988-04-01

hypercube; methods, which work best in structured scenes, and parent/ child operations run in a smaller fixed time independent spatiotemporal energy...rectangle defines a new coordinate sVstem for it, image is constructed under orthographic projection. The child links that is relative to its own...that the child rectangle can shift in the X -- V plane, rectangle in the image. At first, a noiseless image is created relative to the nominal

Seed morphometric characteristics of European species of Elatine (Elatinaceae)

PubMed Central

Łysko, Andrzej; Białecka, Bożenna; Bihun, Magdalena Marta; Sramkó, Gábor; Staroń, Waldemar; Wieczorek, Anetta; Molnár V., Attila

2017-01-01

Elatine L. contains ca. 25 small, herbaceous, annual species distributed in ephemeral waters in both hemispheres. All species are amphibious and characterized by a high degree of morphological variability. The importance of seed morphology in Elatine taxonomy has been emphasized by many authors. The degree of seed curvature and seed coat reticulation have been traditionally considered very important in recognizing individual species of this genus. Seed morphometric characteristics of 10 Elatine species, including all European native taxa, are provided on the basis of material from two or three populations of each species. A total of 24–50 seeds were studied from each population, altogether 1,260 images were used for the morphometric study. In total, six parameters were measured from SEM pictures: object surface area, profile specific perimeter (object circuit), rectangle of the object (a) length, rectangle of the object (b) width, angle of the seed curvature, and number of pits in the seed coat counted in the middle row. Our study shows that the range of morphological variation of seeds in European species of Elatine is great, both between the species and the populations. Discrimination analysis showed that all six traits significantly differentiate the populations studied (λ = 0.001, p < 0.001), and the greatest contributions were “number of pits”, “rectangle_a”, and “the angle curvature”. Multidimensional scaling based on a correlation matrix of Mahalanobis distance of the six features studied revealed the greatest similarity between the three populations of E. alsinastrum, E. macropoda, and E. hexandra. Regarding interspecific differences, a Kruskal–Wallis tests showed that, in many cases, lack of statistically significant differences between species relative to the studied seed traits. If distinction of species is only based on seeds, especially if only a few seeds are evaluated, the following species pairs can be easily confused: E. alsinastrum and E. orthosperma, E. hexandra and E. macropoda, E. campylosperma and E. hydropiper, as well and E. gussonei and E. hungarica. We found no diversity in seed coat micromorphology within pits that could have potential taxonomic importance. An identification key and descriptions of species are provided on the basis of seeds traits. PMID:28584724

The influence of object similarity and orientation on object-based cueing.

PubMed

Hein, Elisabeth; Blaschke, Stefan; Rolke, Bettina

2017-01-01

Responses to targets that appear at a noncued position within the same object (invalid-same) compared to a noncued position at an equidistant different object (invalid-different) tend to be faster and more accurate. These cueing effects have been taken as evidence that visual attention can be object based (Egly, Driver, & Rafal, Journal of Experimental Psychology: General, 123, 161-177, 1994). Recent findings, however, have shown that the object-based cueing effect is influenced by object orientation, suggesting that the cueing effect might be due to a more general facilitation of attentional shifts across the horizontal meridian (Al-Janabi & Greenberg, Attention, Perception, & Psychophysics, 1-17, 2016; Pilz, Roggeveen, Creighton, Bennet, & Sekuler, PLOS ONE, 7, e30693, 2012). The aim of this study was to investigate whether the object-based cueing effect is influenced by object similarity and orientation. According to the object-based attention account, objects that are less similar to each other should elicit stronger object-based cueing effects independent of object orientation, whereas the horizontal meridian theory would not predict any effect of object similarity. We manipulated object similarity by using a color (Exp. 1, Exp. 2A) or shape change (Exp. 2B) to distinguish two rectangles in a variation of the classic two-rectangle paradigm (Egly et al., 1994). We found that the object-based cueing effects were influenced by the orientation of the rectangles and strengthened by object dissimilarity. We suggest that object-based cueing effects are strongly affected by the facilitation of attention along the horizontal meridian, but that they also have an object-based attentional component, which is revealed when the dissimilarity between the presented objects is accentuated.

From the Golden Rectangle and Fibonacci to Pedagogy and Problem Posing

ERIC Educational Resources Information Center

Brown, Stephen I.

1976-01-01

Beginning with an analysis of the golden rectangle, the author shows how a series of problems for student investigation arise from queries concerning changes in conditions and analogous situations. (SD)

Unidentified emission features in the R Coronae Borealis star V854 Centauri

NASA Astrophysics Data System (ADS)

Oostrum, L. C.; Ochsendorf, B. B.; Kaper, L.; Tielens, A. G. G. M.

2018-02-01

During its 2012 decline, the R Coronae Borealis star (RCB) V854 Cen was spectroscopically monitored with X-shooter on the ESO Very Large Telescope. The obscured optical and near-infrared spectrum exhibits many narrow and several broad emission features, as previously observed. The envelope is spatially resolved along the slit and allows for a detailed study of the circumstellar material. In this Letter, we report on the properties of a number of unidentified visual emission features (UFs), including the detection of a new feature at 8692 Å. These UFs have been observed in the Red Rectangle (RR), but their chemical and physical nature is still a mystery. The previously known UFs behave similarly in the RR and in V854 Cen, but are not detected in six other observed RCBs. Some hydrogen might be required for the formation of their carrier(s). The λ8692 UF is present in all RCBs. Its carrier is likely of a carbonaceous molecular nature, presumably different from that of the other UFs.

Fundamental Properties of the Red Square

NASA Astrophysics Data System (ADS)

Tuthill, Peter; Barnes, Peter; Cohen, Martin; Schmidt, Timothy

2007-04-01

This proposal follows the exciting recent discovery of the Red Square, the first near-sibling to the illustrious Red Rectangle; and also a potential example progenitor system for supernovae such as SN 1987A. Exploiting the unique extremely wide bandwidth correlator available at Mopra, we propose to rapidly and efficiently explore the molecular environment of this unique new object at 3 mm. This should reveal the fundamental properties of the gas in the underlying stellar system, and will provide the necessary springboard for future spatially-resolved work with interferometers.

Further Development of a Computational Vision Model for the Generation and Analysis of Photo-Realistic Scenes for Military and Civilian Virtual Reality Applications

DTIC Science & Technology

1996-02-01

rectangle in the center of the image straddling the boundary between the foreground grass and background treeline . The synthetic content of the target region...the square in the middle of the grass, the square in the middle of the tree leaves, and the square on the treeline are all synthetic textures. The...target rectangle on the treeline boundary. What was suprising was that the synthetic grass texture was not well matched in the rectangle in the grass

NASA Tech Briefs, July 2004

NASA Technical Reports Server (NTRS)

2004-01-01

Topics: Optoelectronic Sensor System for Guidance in Docking; Hybrid Piezoelectric/Fiber-Optic Sensor Sheets; Multisensor Arrays for Greater Reliability and Accuracy; Integrated-Optic Oxygen Sensors; Ka-Band Autonomous Formation Flying Sensor; CMOS VLSI Active-Pixel Sensor for Tracking; Lightweight, Self-Deploying Foam Antenna Structures; Electrically Small Microstrip Quarter-Wave Monopole Antennas; A 2-to-28-MHz Phase-Locked Loop; Portable Electromyograph; Open-Source Software for Modeling of Nanoelectronic Devices; Software for Generating Strip Maps from SAR Data; Calibration Software for use with Jurassicprok; Software for Probabilistic Risk Reduction; Software Processes SAR Motion-Measurement Data; Improved Method of Purifying Carbon Nanotubes; Patterned Growth of Carbon Nanotubes or Nanofibers; Lightweight, Rack-Mountable Composite Cold Plate/Shelves; SiC-Based Miniature High-Temperature Cantilever Anemometer; Inlet Housing for a Partial-Admission Turbine; Lightweight Thermoformed Structural Components and Optics; Growing High-Quality InAs Quantum Dots for Infrared Lasers; Selected Papers on Protoplanetary Disks; Module for Oxygenating Water without Generating Bubbles; Coastal Research Imaging Spectrometer; Rapid Switching and Modulation by use of Coupled VCSELs; Laser-Induced-Fluorescence Photogrammetry and Videogrammetry; Laboratory Apparatus Generates Dual-Species Cold Atomic Beam; Laser Ablation of Materials for Propulsion of Spacecraft; Small Active Radiation Monitor; Hybrid Image-Plane/Stereo Manipulation; Partitioning a Gridded Rectangle into Smaller Rectangles; Digital Radar-Signal Processors Implemented in FPGAs; Part 1 of a Computational Study of a Drop-Laden Mixing Layer; and Some Improvements in Signal-Conditioning Circuits.

Nanoscale imaging of magnetization reversal driven by spin-orbit torque

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

Gilbert, Ian; Chen, P. J.; Gopman, Daniel B.

We use scanning electron microscopy with polarization analysis to image deterministic, spin-orbit torque-driven magnetization reversal of in-plane magnetized CoFeB rectangles in zero applied magnetic field. The spin-orbit torque is generated by running a current through heavy metal microstrips, either Pt or Ta, upon which the CoFeB rectangles are deposited. We image the CoFeB magnetization before and after a current pulse to see the effect of spin-orbit torque on the magnetic nanostructure. The observed changes in magnetic structure can be complex, deviating significantly from a simple macrospin approximation, especially in larger elements. Overall, however, the directions of the magnetization reversal inmore » the Pt and Ta devices are opposite, consistent with the opposite signs of the spin Hall angles of these materials. Lastly, our results elucidate the effects of current density, geometry, and magnetic domain structure on magnetization switching driven by spin-orbit torque.« less

Nanoscale imaging of magnetization reversal driven by spin-orbit torque

DOE PAGES

Gilbert, Ian; Chen, P. J.; Gopman, Daniel B.; ...

2016-09-23

We use scanning electron microscopy with polarization analysis to image deterministic, spin-orbit torque-driven magnetization reversal of in-plane magnetized CoFeB rectangles in zero applied magnetic field. The spin-orbit torque is generated by running a current through heavy metal microstrips, either Pt or Ta, upon which the CoFeB rectangles are deposited. We image the CoFeB magnetization before and after a current pulse to see the effect of spin-orbit torque on the magnetic nanostructure. The observed changes in magnetic structure can be complex, deviating significantly from a simple macrospin approximation, especially in larger elements. Overall, however, the directions of the magnetization reversal inmore » the Pt and Ta devices are opposite, consistent with the opposite signs of the spin Hall angles of these materials. Lastly, our results elucidate the effects of current density, geometry, and magnetic domain structure on magnetization switching driven by spin-orbit torque.« less

Bifurcation Analysis Using Rigorous Branch and Bound Methods

NASA Technical Reports Server (NTRS)

Smith, Andrew P.; Crespo, Luis G.; Munoz, Cesar A.; Lowenberg, Mark H.

2014-01-01

For the study of nonlinear dynamic systems, it is important to locate the equilibria and bifurcations occurring within a specified computational domain. This paper proposes a new approach for solving these problems and compares it to the numerical continuation method. The new approach is based upon branch and bound and utilizes rigorous enclosure techniques to yield outer bounding sets of both the equilibrium and local bifurcation manifolds. These sets, which comprise the union of hyper-rectangles, can be made to be as tight as desired. Sufficient conditions for the existence of equilibrium and bifurcation points taking the form of algebraic inequality constraints in the state-parameter space are used to calculate their enclosures directly. The enclosures for the bifurcation sets can be computed independently of the equilibrium manifold, and are guaranteed to contain all solutions within the computational domain. A further advantage of this method is the ability to compute a near-maximally sized hyper-rectangle of high dimension centered at a fixed parameter-state point whose elements are guaranteed to exclude all bifurcation points. This hyper-rectangle, which requires a global description of the bifurcation manifold within the computational domain, cannot be obtained otherwise. A test case, based on the dynamics of a UAV subject to uncertain center of gravity location, is used to illustrate the efficacy of the method by comparing it with numerical continuation and to evaluate its computational complexity.

Luminescent beam stop

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

Bryant, Diane; Morton, Simon A.

This disclosure provides systems, methods, and apparatus related to beam stops. In one aspect, a device comprises a luminescent material, a beam stop plate, and an optical fiber. The luminescent material is a parallelepiped having a first side and a second side that are squares and having a third side that is a rectangle or a square. The first side and the second side are perpendicular to the third side. The beam stop plate is attached to the first side of the luminescent material. The optical fiber has a first end and a second end, with the first end ofmore » the optical fiber attached to the third side of the luminescent material.« less

Active multiple plasmon-induced transparencies with detuned asymmetric multi-rectangle resonators

NASA Astrophysics Data System (ADS)

Liu, Dongdong; Wang, Jicheng; Lu, Jian

2016-11-01

The phenomenon of plasmon-induced transparency (PIT) is realized in surface plasmon polariton waveguide at the visible and near-infrared ranges. By adding one and two resonant cavities, the PIT peak(s) was (were) achieved due to destructive interference between the side-coupled rectangle cavity and the bus waveguide. The proposed structures were demonstrated by the finite element method. The simulation results showed that for three rectangle resonators system, not only can we manipulate each single PIT window, but also the double PIT windows simultaneously by adjusting one of the geometrical parameters of the system; for four rectangle resonators system, by changing the widths, the lengths and the refractive index of three cavities simultaneously, we would realize treble PIT peaks and induce an off-to-on PIT optical response. Our novel plasmonic structures and the findings pave the way for new design and engineering of highly integrated optical circuit such as nanoscale optical switching, nanosensor and wavelength-selecting nanostructure.

a Schema for Extraction of Indoor Pedestrian Navigation Grid Network from Floor Plans

NASA Astrophysics Data System (ADS)

Niu, Lei; Song, Yiquan

2016-06-01

The requirement of the indoor navigation related tasks such emergency evacuation calls for efficient solutions for handling data sources. Therefore, the navigation grid extraction from existing floor plans draws attentions. To this, we have to thoroughly analyse the source data, such as Autocad dxf files. Then, we could establish a sounding navigation solution, which firstly complements the basic navigation rectangle boundaries, secondly subdivides these rectangles and finally generates accessible networks with these refined rectangles. Test files are introduced to validate the whole workflow and evaluate the solution performance. In conclusion, we have achieved the preliminary step of forming up accessible network from the navigation grids.

Is There a "Best" Rectangle?

ERIC Educational Resources Information Center

Russell, R. Alan

2011-01-01

A question posed by a teacher can often serve as an effective and engaging way to start a class. Sometimes, however, interesting questions arise from comments made by students. The investigation presented in this article arose from a student's very simple question: "Is there a perfect rectangle for folding origami?" The initial investigation was…

Preferences by Rhagoletis indifferens (Dipt., Tephritidae) and non-target flies for rectangles of various yellow colours and fluorescence

USDA-ARS?s Scientific Manuscript database

Seven sticky rectangle traps of various yellow colours and fluorescence made of cardboard were field tested against western cherry fruit fly, Rhagoletis indifferens Curran, in paired trap preference experiments in Washington state, USA. Alpha Scents (proprietary paint), Fluorescent Yellow (aerosol ...

Supply Chain Modeling for Fluorspar and Hydrofluoric Acid and Implications for Further Analyses

DTIC Science & Technology

2015-04-01

Supply Other usesUS Supply Fluorspar Mining HF Production Downstream Products Stages of Production Other uses “Upstream” Supply and Demand...chain, as follows: • The three stages of the chain considered in the analysis are listed across the top: Fluorspar Mining , HF Production, and (pro...consumption of HF is represented by the maroon rectangle. • The lines depict material flows from fluorspar mining , to HF production, to downstream fluorine

Learning Oriented Region-based Convolutional Neural Networks for Building Detection in Satellite Remote Sensing Images

NASA Astrophysics Data System (ADS)

Chen, C.; Gong, W.; Hu, Y.; Chen, Y.; Ding, Y.

2017-05-01

The automated building detection in aerial images is a fundamental problem encountered in aerial and satellite images analysis. Recently, thanks to the advances in feature descriptions, Region-based CNN model (R-CNN) for object detection is receiving an increasing attention. Despite the excellent performance in object detection, it is problematic to directly leverage the features of R-CNN model for building detection in single aerial image. As we know, the single aerial image is in vertical view and the buildings possess significant directional feature. However, in R-CNN model, direction of the building is ignored and the detection results are represented by horizontal rectangles. For this reason, the detection results with horizontal rectangle cannot describe the building precisely. To address this problem, in this paper, we proposed a novel model with a key feature related to orientation, namely, Oriented R-CNN (OR-CNN). Our contributions are mainly in the following two aspects: 1) Introducing a new oriented layer network for detecting the rotation angle of building on the basis of the successful VGG-net R-CNN model; 2) the oriented rectangle is proposed to leverage the powerful R-CNN for remote-sensing building detection. In experiments, we establish a complete and bran-new data set for training our oriented R-CNN model and comprehensively evaluate the proposed method on a publicly available building detection data set. We demonstrate State-of-the-art results compared with the previous baseline methods.

Polarized and asymmetric emission of single colloidal nanoplatelets (Conference Presentation)

NASA Astrophysics Data System (ADS)

Feng, Fu; N'Guyen, Thu Loan; Nasilowski, Michel; Lethiec, Clotilde M.; Dubertret, Benoit; Coolen, Laurent; Maître, Agnès.

2017-02-01

Efficient coupling of nanoemitters to photonic or plasmonic structures requires the control of the orientation of the emitting dipoles. Nevertheless controlling the dipole orientation remains an experimental challenge. Many experiments rely on the realization of numerous samples, in order to be able to statistically get a well aligned dipole to realize an efficient coupling to a nanostructure. In order to avoid these statistical trials, the knowledge of the nature of the emitter and its orientation is crucial for a deterministical approach. We developed a method [1],[2] relying on the combination of polarimetric measurement and emission diagram which gives fine information both on the emitting dipolar transition involved and on the dipolar orientation We analyse by this method square and rectangle single colloidal CdSe/CdS nanoplatetelets. We demonstrate that their emission can be described by just by two orthogonal dipoles lying in the plane of the platelets. More surprisingly the emission of the square nanoplatelets is not polarised whereas the rectangle one is. We demonstrate that this polarized emission is due to the rectangular shape anisotropy by a dielectric effect. [1] C. Lethiec, et al, Three-dimensional orientation measurement of a single fluorescent nanoemitter by polarization analysis, Phys. Rev. X 4, 021037 (2014), [2] C. Lethiec et al, Polarimetry-based analysis of dipolar transitions of single colloidal CdSe/CdS dot-inrods, New Journal of Physics 16, 093014 (2014) [3] S. Ithurria et al, colloidal nanoplatelets with 2 dimensional electronic structure, Nature Materials 10, 936 (2011)

A rectangle-type linear ultrasonic motor using longitudinal vibration transducers with four driving feet.

PubMed

Liu, Yingxiang; Chen, Weishan; Liu, Junkao; Shi, Shengjun

2013-04-01

To make full use of the vibrational energy of a longitudinal transducer, a rectangle-type linear ultrasonic motor with four driving feet is proposed in this paper. This new motor consists of four longitudinal vibration transducers which are arranged in a rectangle and form an enclosed construction. Lead zirconate titanate ceramics are embedded into the middle of the transducer and fastened by a wedge-caulking mechanism. Each transducer includes an exponentially shaped horn located on each end. The horns of the vertical transducers intersect at the base of the horizontal transducers' horns; the tip ends of the horizontal transducers' horns are used as the driving feet. Longitudinal vibrations are superimposed in the motor and generate elliptical movements at the tip ends of the horns. The working principle of the proposed motor is analyzed. The resonance frequencies of two working modes are tuned to be close to each other by adjusting the structural parameters. Transient analysis is developed to gain the vibration characteristics of the motor. A prototype motor is fabricated and measured. The vibration test results verify the feasibility of the proposed design. Typical output of the prototype is a no-load speed of 928 mm/s and maximum thrust force of 60 N at a voltage of 200 Vrms.

Finding the Area of a Circle: Didactic Explanations in School Mathematics

ERIC Educational Resources Information Center

Stacey, Kaye; Vincent, Jill

2009-01-01

Learning about the area formulas provides many opportunities for students even at the beginning of junior secondary school to experience mathematical deduction. For example, in easy cases, students can put two triangles together to make a rectangle, and so deduce that the area of a triangle is half the area of a corresponding rectangle. They can…

How Preservice Teachers Interpret and Respond to Student Errors: Ratio and Proportion in Similar Rectangles

ERIC Educational Resources Information Center

Son, Ji-Won

2013-01-01

Interpreting and responding to student thinking are central tasks of reform-minded mathematics teaching. This study examined preservice teachers' (PSTs) interpretations of and responses to a student's error(s) involving finding a missing length in similar rectangles through a teaching scenario task. Fifty-seven PSTs' responses were…

Programming of a Mn-coordinated 4-4‧-biphenyl dicarboxylic acid nanosystem on Au(1 1 1) and investigation of the non-covalent binding of C60 molecules

NASA Astrophysics Data System (ADS)

Zhang, Yan-Feng; Zhu, Na; Komeda, T.

The fabrication of Mn-based coordination networks on a Au(1 1 1) substrate with 4-4 '-biphenyl dicarboxylic acid (BDA) as the linker molecule was investigated by scanning tunneling microscopy. Intriguing structures of ladder and rectangular-shaped networks were obtained by controlling the ratios of deposited amount of BDA molecules and Mn atoms. These structures are well explained by models in which BDA molecules occupy the perimeter of the rectangles and a pair of two Mn atoms are placed at the lattice points. For the rectangular structure, further two phases of a rectangular and a square networks were identified in which the paired Mn atoms were directing an identical direction and 90° rotated in an alternate manner, respectively. In addition, it was revealed that the open space surrounded by rectangle BDA molecules could capture a dimer of C60 molecules which were deposited on the Mn-based BDA networks.

The Histogram-Area Connection

ERIC Educational Resources Information Center

Gratzer, William; Carpenter, James E.

2008-01-01

This article demonstrates an alternative approach to the construction of histograms--one based on the notion of using area to represent relative density in intervals of unequal length. The resulting histograms illustrate the connection between the area of the rectangles associated with particular outcomes and the relative frequency (probability)…

Generalised Multiplicative Indices of Polycyclic Aromatic Hydrocarbons and Benzenoid Systems

NASA Astrophysics Data System (ADS)

Kulli, V. R.; Stone, Branden; Wang, Shaohui; Wei, Bing

2017-05-01

Many types of topological indices such as degree-based topological indices, distance-based topological indices, and counting-related topological indices are explored during past recent years. Among degree-based topological indices, Zagreb indices are the oldest one and studied well. In the paper, we define a generalised multiplicative version of these indices and compute exact formulas for Polycyclic Aromatic Hydrocarbons and jagged-rectangle Benzenoid systems.

Beyond the Golden Ratio: A Calculator-Based Investigation.

ERIC Educational Resources Information Center

Glidden, Peter L.

2001-01-01

Describes computation of a continued radical to approximate the golden ratio and presents two well-known geometric interpretations of it. Uses guided-discovery to investigate different repeated radicals to see what values they approximate, the golden-rectangle interpretation of these continued radicals, and the golden-section interpretation. (KHR)

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

Shimizu, Y; Yoon, Y; Iwase, K

Purpose: We are trying to develop an image-searching technique to identify misfiled images in a picture archiving and communication system (PACS) server by using five biological fingerprints: the whole lung field, cardiac shadow, superior mediastinum, lung apex, and right lower lung. Each biological fingerprint in a chest radiograph includes distinctive anatomical structures to identify misfiled images. The whole lung field was less effective for evaluating the similarity between two images than the other biological fingerprints. This was mainly due to the variation in the positioning for chest radiographs. The purpose of this study is to develop new biological fingerprints thatmore » could reduce influence of differences in the positioning for chest radiography. Methods: Two hundred patients were selected randomly from our database (36,212 patients). These patients had two images each (current and previous images). Current images were used as the misfiled images in this study. A circumscribed rectangular area of the lung and the upper half of the rectangle were selected automatically as new biological fingerprints. These biological fingerprints were matched to all previous images in the database. The degrees of similarity between the two images were calculated for the same and different patients. The usefulness of new the biological fingerprints for automated patient recognition was examined in terms of receiver operating characteristic (ROC) analysis. Results: Area under the ROC curves (AUCs) for the circumscribed rectangle of the lung, upper half of the rectangle, and whole lung field were 0.980, 0.994, and 0.950, respectively. The new biological fingerprints showed better performance in identifying the patients correctly than the whole lung field. Conclusion: We have developed new biological fingerprints: circumscribed rectangle of the lung and upper half of the rectangle. These new biological fingerprints would be useful for automated patient identification system because they are less affected by positioning differences during imaging.« less

Summary of 1978 Southeastern Virginia Urban Plume study: Aircraft results for carbon monoxide, methane, nonmethane hydrocarbons, and ozone

NASA Technical Reports Server (NTRS)

Hill, G. F.; Sachse, G. W.; Cofer, W. R., III

1981-01-01

The characteristics of the Southeastern Virginia urban plume were defined with emphasis on the photon-oxidant species. The measurement area was a rectangle, approximately 150 km by 100 km centered around Cape Charles, Virginia. Included in this area are the cities of Norfolk, Virginia Beach, Chesapeake, Newport News, and Hampton. The area is bounded on the north by Wallops Island, Virginia, and on the south by the Hampton Roads area of Tidewater Virginia. The major axis of the rectangle is oriented in the southwest-northeast direction. The data set includes aircraft measurements for carbon monoxide, methane, nonmethane hydrocarbons, and ozone. The experiment shows that CO can be successfully measured as a tracer gas and used as an index for determining localized and urban plumes. The 1978 data base provided sufficient data to assess an automated chromatograph with flame ionization detection used for measuring methane and nonmethane hydrocarbons in flight.

Induced drag ideal efficiency factor of arbitrary lateral-vertical wing forms

NASA Technical Reports Server (NTRS)

Deyoung, J.

1980-01-01

A relatively simple equation is presented for estimating the induced drag ideal efficiency factor e for arbitrary cross sectional wing forms. This equation is based on eight basic but varied wing configurations which have exact solutions. The e function which relates the basic wings is developed statistically and is a continuous function of configuration geometry. The basic wing configurations include boxwings shaped as a rectangle, ellipse, and diamond; the V-wing; end-plate wing; 90 degree cruciform; circle dumbbell; and biplane. Example applications of the e equations are made to many wing forms such as wings with struts which form partial span rectangle dumbbell wings; bowtie, cruciform, winglet, and fan wings; and multiwings. Derivations are presented in the appendices of exact closed form solutions found of e for the V-wing and 90 degree cruciform wing and for an asymptotic solution for multiwings.

Saccade Latency Indexes Exogenous and Endogenous Object-Based Attention

PubMed Central

Şentürk, Gözde; Greenberg, Adam S.; Liu, Taosheng

2016-01-01

Classic studies of object-based attention have utilized keypress responses as the main dependent measure. However, people typically make saccades to fixate important objects. Recent work has shown that attention may act differently when deployed covertly versus in advance of a saccade. We further investigated the link between saccades and attention by examining whether object-based effects can be observed for saccades. We adapted the classical double-rectangle cueing paradigm of Egly et al., (1994), and measured both the first saccade latency and keypress reaction time (RT) to a target that appeared at the end of one of the two rectangles. Our results showed that saccade latency exhibited higher sensitivity than RT in detecting effects of attention. We also assessed the generality of the attention effects by testing three types of cues: hybrid (predictive and peripheral), exogenous (non-predictive and peripheral), and endogenous (predictive and central). We found that both RT and saccade latency exhibited effects of both space-based and object-based attentional selection. However, saccade latency showed a more robust attentional modulation than RTs. For the exogenous cue, we observed a spatial inhibition-of-return along with an object-based effect, implying that object-based attention is independent of space-based attention. Overall, our results reveal an oculomotor correlate of object-based attention, suggesting that, in addition to spatial priority, object-level priority also affects saccade planning. PMID:27225468

Saccade latency indexes exogenous and endogenous object-based attention.

PubMed

Şentürk, Gözde; Greenberg, Adam S; Liu, Taosheng

2016-10-01

Classic studies of object-based attention have utilized keypress responses as the main dependent measure. However, people typically make saccades to fixate important objects. Recent work has shown that attention may act differently when it is deployed covertly versus in advance of a saccade. We further investigated the link between saccades and attention by examining whether object-based effects can be observed for saccades. We adapted the classical double-rectangle cueing paradigm of Egly, Driver, and Rafal (1994), and measured both the first saccade latency and the keypress reaction time (RT) to a target that appeared at the end of one of the two rectangles. Our results showed that saccade latencies exhibited higher sensitivity than did RTs for detecting effects of attention. We also assessed the generality of the attention effects by testing three types of cues: hybrid (predictive and peripheral), exogenous (nonpredictive and peripheral), and endogenous (predictive and central). We found that both RTs and saccade latencies exhibited effects of both space-based and object-based attentional selection. However, saccade latencies showed a more robust attentional modulation than RTs. For the exogenous cues, we observed a spatial inhibition of return along with an object-based effect, implying that object-based attention is independent of space-based attention. Overall, our results revealed an oculomotor correlate of object-based attention, suggesting that, in addition to spatial priority, object-level priority also affects saccade planning.

Object width modulates object-based attentional selection.

PubMed

Nah, Joseph C; Neppi-Modona, Marco; Strother, Lars; Behrmann, Marlene; Shomstein, Sarah

2018-04-24

Visual input typically includes a myriad of objects, some of which are selected for further processing. While these objects vary in shape and size, most evidence supporting object-based guidance of attention is drawn from paradigms employing two identical objects. Importantly, object size is a readily perceived stimulus dimension, and whether it modulates the distribution of attention remains an open question. Across four experiments, the size of the objects in the display was manipulated in a modified version of the two-rectangle paradigm. In Experiment 1, two identical parallel rectangles of two sizes (thin or thick) were presented. Experiments 2-4 employed identical trapezoids (each having a thin and thick end), inverted in orientation. In the experiments, one end of an object was cued and participants performed either a T/L discrimination or a simple target-detection task. Combined results show that, in addition to the standard object-based attentional advantage, there was a further attentional benefit for processing information contained in the thick versus thin end of objects. Additionally, eye-tracking measures demonstrated increased saccade precision towards thick object ends, suggesting that Fitts's Law may play a role in object-based attentional shifts. Taken together, these results suggest that object-based attentional selection is modulated by object width.

Study of moving object detecting and tracking algorithm for video surveillance system

NASA Astrophysics Data System (ADS)

Wang, Tao; Zhang, Rongfu

2010-10-01

This paper describes a specific process of moving target detecting and tracking in the video surveillance.Obtain high-quality background is the key to achieving differential target detecting in the video surveillance.The paper is based on a block segmentation method to build clear background,and using the method of background difference to detecing moving target,after a series of treatment we can be extracted the more comprehensive object from original image,then using the smallest bounding rectangle to locate the object.In the video surveillance system, the delay of camera and other reasons lead to tracking lag,the model of Kalman filter based on template matching was proposed,using deduced and estimated capacity of Kalman,the center of smallest bounding rectangle for predictive value,predicted the position in the next moment may appare,followed by template matching in the region as the center of this position,by calculate the cross-correlation similarity of current image and reference image,can determine the best matching center.As narrowed the scope of searching,thereby reduced the searching time,so there be achieve fast-tracking.

Rectangle Surface Coil Array in a Grid Arrangement for Resonance Imaging

DTIC Science & Technology

2016-02-13

switchable array, RF magnetic field, NQR , MRI, NMR, tuning, decoupling I. INTRODUCTION ESONANCE imaging can be accomplished using Nuclear Magnetic...Resonance (NMR) or Nuclear Quadrupole Resonance ( NQR ) techniques. REF [1] and [6] explain the differences between NMR and NQR . What NMR and NQR ...of resonance NQR frequency of 28.1MHz. The matching and tuning is explain in detail in the next section of this paper. Rectangle Surface Coil

The Role of Representation Strength of the Prime in Subliminal Visuomotor Priming.

PubMed

Wang, Yongchun; Wang, Yonghui; Liu, Peng; Di, Meilin; Gong, Yanyan; Tan, Mengge

2017-11-01

This study investigated the role of representation strength of the prime in subliminal visuomotor priming in two experiments. Prime/target compatibility (compatible and incompatible) and preposed object type (jumbled lines, strong masking; and rectangular outlines, weak masking) were manipulated in Experiment 1. A significant negative compatibility effect (NCE) was observed in the rectangle condition, whereas no compatibility effect was found in the line condition. However, when a new variable, prime duration, was introduced in Experiment 2, the NCE was reversed with an increase in the prime duration in the rectangle condition, whereas the NCE was maintained in the line condition. This result is consistent with the claim that increasing the prime duration causes the prime representation to be too strong for inhibition in the rectangle condition but strong enough to reliably trigger inhibition in the line condition. The findings demonstrated that prime representation has a causal role in subliminal visuomotor priming.

Design and Performance Evaluation on Ultra-Wideband Time-Of-Arrival 3D Tracking System

NASA Technical Reports Server (NTRS)

Ni, Jianjun; Arndt, Dickey; Ngo, Phong; Dusl, John

2012-01-01

A three-dimensional (3D) Ultra-Wideband (UWB) Time--of-Arrival (TOA) tracking system has been studied at NASA Johnson Space Center (JSC) to provide the tracking capability inside the International Space Station (ISS) modules for various applications. One of applications is to locate and report the location where crew experienced possible high level of carbon-dioxide and felt upset. In order to accurately locate those places in a multipath intensive environment like ISS modules, it requires a robust real-time location system (RTLS) which can provide the required accuracy and update rate. A 3D UWB TOA tracking system with two-way ranging has been proposed and studied. The designed system will be tested in the Wireless Habitat Testbed which simulates the ISS module environment. In this presentation, we discuss the 3D TOA tracking algorithm and the performance evaluation based on different tracking baseline configurations. The simulation results show that two configurations of the tracking baseline are feasible. With 100 picoseconds standard deviation (STD) of TOA estimates, the average tracking error 0.2392 feet (about 7 centimeters) can be achieved for configuration Twisted Rectangle while the average tracking error 0.9183 feet (about 28 centimeters) can be achieved for configuration Slightly-Twisted Top Rectangle . The tracking accuracy can be further improved with the improvement of the STD of TOA estimates. With 10 picoseconds STD of TOA estimates, the average tracking error 0.0239 feet (less than 1 centimeter) can be achieved for configuration "Twisted Rectangle".

Medium-resolution échelle spectroscopy of the Red Square Nebula, MWC 922

NASA Astrophysics Data System (ADS)

Wehres, N.; Ochsendorf, B. B.; Tielens, A. G. G. M.; Cox, N. L. J.; Kaper, L.; Bally, J.; Snow, T. P.

2017-05-01

Context. Medium-resolution échelle spectra of the Red Square Nebula surrounding the star MWC 922 are presented. The spectra have been obtained in 2010 and 2012 using the X-shooter spectrograph mounted on the Very Large Telescope (VLT) in Paranal, Chile. The spectrum covers a wavelength range between 300 nm-2.5 μm and shows that the nebula is rich in emission lines. Aims: We aim to identify the emission lines and use them as a tool to determine the physical and chemical characteristics of the nebula. The emission lines are also used to put constraints on the structure of the nebula and on the nature of the central stars. Methods: We analyzed and identified emission lines that indicated that the Red Square Nebula consists of a low density bipolar outflow, eminent in the broad emission component seen in [Fe II], as well as in P Cygni line profiles indicative of fast outflowing material. The narrow component in the [Fe II] lines is most likely formed in the photosphere of a surrounding disk. Some of the emission lines show a pronounced double peaked profile, such as Ca II, indicating an accretion disk in Keplerian rotation around the central star. [O I] emission lines are formed in the neutral atomic zone separating the ionized disk photosphere from the molecular gas in the interior of the disk, which is prominent in molecular CO emission in the near-IR. [N II] and [S II] emission clearly originates in a low density but fairly hot (7 000-10 000 K) nebular environment. H I recombination lines trace the extended nebula as well as the photosphere of the disk. Results: These findings put constraints on the evolution of the central objects in MWC 922. The Red Square shows strong similarities to the Red Rectangle Nebula, both in morphology and in its mid-IR spectroscopic characteristics. As for the Red Rectangle, the observed morphology of the nebula reflects mass-loss in a binary system. Specifically, we attribute the biconical morphology and the associated rung-like structure to the action of intermittent jets blown by the accreting companion in a dense shell, which has been created by the primary. We stress, though, that despite the morphological similarities, these two objects represent very different classes of stellar objects. The data-reduced spectra are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/601/A69

An efficient way of layout processing based on calibre DRC and pattern matching for defects inspection application

NASA Astrophysics Data System (ADS)

Li, Helen; Lee, Robben; Lee, Tyzy; Xue, Teddy; Liu, Hermes; Wu, Hall; Wan, Qijian; Du, Chunshan; Hu, Xinyi; Liu, Zhengfang

2018-03-01

As technology advances, escalating layout design complexity and chip size make defect inspection becomes more challenging than ever before. The YE (Yield Enhancement) engineers are seeking for an efficient strategy to ensure accuracy without suffering running time. A smart way is to set different resolutions for different pattern structures, for examples, logic pattern areas have a higher scan resolution while the dummy areas have a lower resolution, SRAM area may have another different resolution. This can significantly reduce the scan processing time meanwhile the accuracy does not suffer. Due to the limitation of the inspection equipment, the layout must be processed in order to output the Care Area marker in line with the requirement of the equipment, for instance, the marker shapes must be rectangle and the number of the rectangle shapes should be as small as possible. The challenge is how to select the different Care Areas by pattern structures, merge the areas efficiently and then partition them into pieces of rectangle shapes. This paper presents a solution based on Calibre DRC and Pattern Matching. Calibre equation-based DRC is a powerful layout processing engine and Calibre Pattern Matching's automated visual capture capability enables designers to define these geometries as layout patterns and store them in libraries which can be re-used in multiple design layouts. Pattern Matching simplifies the description of very complex relationships between pattern shapes efficiently and accurately. Pattern matching's true power is on display when it is integrated with normal DRC deck. In this application of defects inspection, we first run Calibre DRC to get rule based Care Area then use Calibre Pattern Matching's automated pattern capture capability to capture Care Area shapes which need a higher scan resolution with a tune able pattern halo. In the pattern matching step, when the patterns are matched, a bounding box marker will be output to identify the high resolution area. The equation-based DRC and Pattern Matching effectively work together for different scan phases.

Eye Gaze versus Arrows as Spatial Cues: Two Qualitatively Different Modes of Attentional Selection

ERIC Educational Resources Information Center

Marotta, Andrea; Lupianez, Juan; Martella, Diana; Casagrande, Maria

2012-01-01

This study aimed to evaluate the type of attentional selection (location- and/or object-based) triggered by two different types of central noninformative cues: eye gaze and arrows. Two rectangular objects were presented in the visual field, and subjects' attention was directed to the end of a rectangle via the observation of noninformative…

Users Guide for Smooth-Prop: A Program for Smoothing Propeller Tip Geometry

DTIC Science & Technology

2013-10-01

Research and Development Canada – Atlantic Technical Memorandum DRDC Atlantic TM 2013-179 October 2013 c© Her Majesty the Queen in Right of Canada...a window You can magnify any region of the Blade or Plane Intersection windows by clicking and dragging with the left mouse button. A red rectangle...display. Each slider is a long rectangle containing a smaller black box: see Fig. 9. The black box is a handle that can be dragged back and forth

A fast Cauchy-Riemann solver. [differential equation solution for boundary conditions by finite difference approximation

NASA Technical Reports Server (NTRS)

Ghil, M.; Balgovind, R.

1979-01-01

The inhomogeneous Cauchy-Riemann equations in a rectangle are discretized by a finite difference approximation. Several different boundary conditions are treated explicitly, leading to algorithms which have overall second-order accuracy. All boundary conditions with either u or v prescribed along a side of the rectangle can be treated by similar methods. The algorithms presented here have nearly minimal time and storage requirements and seem suitable for development into a general-purpose direct Cauchy-Riemann solver for arbitrary boundary conditions.

The square lattice Ising model on the rectangle II: finite-size scaling limit

NASA Astrophysics Data System (ADS)

Hucht, Alfred

2017-06-01

Based on the results published recently (Hucht 2017 J. Phys. A: Math. Theor. 50 065201), the universal finite-size contributions to the free energy of the square lattice Ising model on the L× M rectangle, with open boundary conditions in both directions, are calculated exactly in the finite-size scaling limit L, M\\to∞ , T\\to Tc , with fixed temperature scaling variable x\\propto(T/Tc-1)M and fixed aspect ratio ρ\\propto L/M . We derive exponentially fast converging series for the related Casimir potential and Casimir force scaling functions. At the critical point T=Tc we confirm predictions from conformal field theory (Cardy and Peschel 1988 Nucl. Phys. B 300 377, Kleban and Vassileva 1991 J. Phys. A: Math. Gen. 24 3407). The presence of corners and the related corner free energy has dramatic impact on the Casimir scaling functions and leads to a logarithmic divergence of the Casimir potential scaling function at criticality.

Propagation of spiral waves pinned to circular and rectangular obstacles.

PubMed

Sutthiopad, Malee; Luengviriya, Jiraporn; Porjai, Porramain; Phantu, Metinee; Kanchanawarin, Jarin; Müller, Stefan C; Luengviriya, Chaiya

2015-05-01

We present an investigation of spiral waves pinned to circular and rectangular obstacles with different circumferences in both thin layers of the Belousov-Zhabotinsky reaction and numerical simulations with the Oregonator model. For circular objects, the area always increases with the circumference. In contrast, we varied the circumference of rectangles with equal areas by adjusting their width w and height h. For both obstacle forms, the propagating parameters (i.e., wavelength, wave period, and velocity of pinned spiral waves) increase with the circumference, regardless of the obstacle area. Despite these common features of the parameters, the forms of pinned spiral waves depend on the obstacle shapes. The structures of spiral waves pinned to circles as well as rectangles with the ratio w/h∼1 are similar to Archimedean spirals. When w/h increases, deformations of the spiral shapes are observed. For extremely thin rectangles with w/h≫1, these shapes can be constructed by employing semicircles with different radii which relate to the obstacle width and the core diameter of free spirals.

Gain-guided soliton fiber laser with high-quality rectangle spectrum for ultrafast time-stretch microscopy.

PubMed

Hu, Song; Yao, Jian; Liu, Meng; Luo, Ai-Ping; Luo, Zhi-Chao; Xu, Wen-Cheng

2016-05-16

The ultrafast time-stretch microscopy has been proposed to enhance the temporal resolution of a microscopy system. The optical source is a key component for ultrafast time-stretch microscopy system. Herein, we reported on the gain-guided soliton fiber laser with high-quality rectangle spectrum for ultrafast time-stretch microscopy. By virtue of the excellent characteristics of the gain-guided soliton, the output power and the 3-dB bandwidth of the stable mode-locked soliton could be up to 3 mW and 33.7 nm with a high-quality rectangle shape, respectively. With the proposed robust optical source, the ultrafast time-stretch microscopy with the 49.6 μm resolution and a scan rate of 11 MHz was achieved without the external optical amplification. The obtained results demonstrated that the gain-guided soliton fiber laser could be used as an alternative high-quality optical source for ultrafast time-stretch microscopy and will introduce some applications in fields such as biology, chemical, and optical sensing.

Modern Geometric Algebra: A (Very Incomplete!) Survey

ERIC Educational Resources Information Center

Suzuki, Jeff

2009-01-01

Geometric algebra is based on two simple ideas. First, the area of a rectangle is equal to the product of the lengths of its sides. Second, if a figure is broken apart into several pieces, the sum of the areas of the pieces equals the area of the original figure. Remarkably, these two ideas provide an elegant way to introduce, connect, and…

A Temporal and Spatial Analysis of Wave-Generated Foam Patterns in the Surf Zone

DTIC Science & Technology

2017-01-10

region, rectange B depicts the gap region, rectangle C is the plunging breaker, circle D represents a foam hole, rectangle E depict a top box...structures: The hidden skeleton of fluid flows . Phys. Today, 66, 41–47. 35 V. CONCLUSION Unique surf zone imagery, acquired from a UAV at Sand City...MacMahan, J. H., E . B . Thornton, T. P. Stanton, and A. J. H. M. Reniers, 2005: RIPEX: Observations of a rip current system. Mar. Geol., 218, 113–134

Simulation of polarization-dependent film with subwavelength nano-hole array

NASA Astrophysics Data System (ADS)

Yu, Yue; Wei, Dong; Long, Huabao; Xin, Zhaowei; Zhang, Xinyu; Wang, Haiwei; Xie, Changsheng

2018-02-01

When lightwave passes through a metal thin film with a periodic subwavelength hole arrays structure, its transmittance is significantly improved in the partial band compared to other wavelength. Changing the size of the hole, the period or metal material, will make the transmission curve different. Here, we add a layer of dielectric material on the surface of the metal film, such as liquid crystal(LC), by controlling voltage on LC to change the refractive index of this layer, then we can change the transmission curve, and achieve using voltage to move the transmission curve. When there is need for polarization, the holes can be made of a rectangle whose length and width are different or other shapes, for different polarization state of the light, and the film will display different transmission characteristics.

Helping students mathematical construction on square and rectangle’s area by using Sarong motive chess

NASA Astrophysics Data System (ADS)

Zuliana, Eka; Setyawan, Fariz; Veloo, Arsaythamby

2017-12-01

The aim of this study is developing the learning trajectory to construct students’ understanding of the concept of the area of square and rectangle by using Sarong Motive Chess. This research is a design research which is consists of three stages. The stages are preparing for the experiment, designing experiment, and making a retrospective analysis. The activities started by the activity of using sarong motive chess as the manipulative measurement unit. The Sarong motive chess helps students to understand the concept of area of square and rectangle. In the formal stage of cognitive level, students estimate the area of square and rectangle by determining the square unit at the surface area of sarong through many ways. The result of this study concludes that Sarong motive chess can be used for mathematics learning process. It helps the students to construct the concept of a square and rectangle’s area. This study produces learning trajectory to construct the concept of a square and rectangle’s area by using Sarong motive chess, especially for elementary school students.

Electronic transport in graphene: p-n junctions, shot noise, and nanoribbons

NASA Astrophysics Data System (ADS)

Williams, James Ryan

2009-12-01

Novel, two-dimensional materials have allowed for the inception and elucidation of a plethora of physical phenomena. On such material, a hexagonal lattice of carbon atoms called graphene, is a unique, truly two-dimensional molecular conductor. This thesis describes six experiments that elucidate some interesting physical properties and technological applications of graphene, with an emphasis on graphene-based p-n junctions. A technique for the creation of high-quality p-n junctions of graphene is described. Transport measurements at zero magnetic field demonstrate local control of the carrier type and density bipolar graphene-based junctions. In the quantum Hall regime, new plateaus in the conductance are observed and explained in terms of mode mixing at the p-n interface. Shot noise in unipolar and bipolar graphene devices is measured. A density-independent Fano factor is observed, contrary to theoretical expectations. Further, an independence on device geometry is also observed. The role of disorder on the measured Fano factor is discussed, and comparison to recent theory for disordered graphene is made. The effect of a two-terminal geometry, where the device aspect ratio is different from unity, is measured experimentally and analyzed theoretically. A method for extracting layer number from the conductance extrema is proposed. A method for a conformal mapping of a device with asymmetric contacts to a rectangle is demonstrated. Finally, possible origins of discrepancies between theory and experiment are discussed. Transport along p-n junctions in graphene is reported. Enhanced transport along the junction is observed and attributed to states that exist at the p-n interface. A correspondence between the observed phenomena at low-field and in the quantum Hall regime is observed. An electric field perpendicular to the junction is found to reduce the enhanced conductance at the p-n junction. A corollary between the p-n interface states and "snake states" in an inhomogeneous magnetic field is proposed and its relationship to the minimum conductivity in graphene is discussed. A final pair of experiments demonstrate how a helium ion microscope can be used to reduce the dimensionality of graphene one further, producing graphene nanoribbons. The effect of etching on transport and doping level of the graphene nanoribbons is discussed.

Characterization Of Improved Binary Phase-Only Filters In A Real-Time Coherent Optical Correlation System

NASA Astrophysics Data System (ADS)

Flannery, D.; Keller, P.; Cartwright, S.; Loomis, J.

1987-06-01

Attractive correlation system performance potential is possible using magneto-optic spatial light modulators (SLM) to implement binary phase-only reference filters at high rates, provided the correlation performance of such reduced-information-content filters is adequate for the application. In the case studied here, the desired filter impulse response is a rectangular shape, which cannot be achieved with the usual binary phase-only filter formulation. The correlation application problem is described and techniques for synthesizing improved filter impulse response are considered. A compromise solution involves the cascading of a fixed amplitude-only weighting mask with the binary phase-only SLM. Based on simulations presented, this approach provides improved impulse responses and good correlation performance, while retaining the critical feature of real-time variations of the size, shape, and orientation of the rectangle by electronic programming of the phase pattern in the SLM. Simulations indicate that, for at least one very challenging input scene clutter situation, these filters provide higher correlation signal-to-noise than does "ideal" correlation, i.e. using a perfect rectangle filter response.

Automated fall detection on privacy-enhanced video.

PubMed

Edgcomb, Alex; Vahid, Frank

2012-01-01

A privacy-enhanced video obscures the appearance of a person in the video. We consider four privacy enhancements: blurring of the person, silhouetting of the person, covering the person with a graphical box, and covering the person with a graphical oval. We demonstrate that an automated video-based fall detection algorithm can be as accurate on privacy-enhanced video as on raw video. The algorithm operated on video from a stationary in-home camera, using a foreground-background segmentation algorithm to extract a minimum bounding rectangle (MBR) around the motion in the video, and using time series shapelet analysis on the height and width of the rectangle to detect falls. We report accuracy applying fall detection on 23 scenarios depicted as raw video and privacy-enhanced videos involving a sole actor portraying normal activities and various falls. We found that fall detection on privacy-enhanced video, except for the common approach of blurring of the person, was competitive with raw video, and in particular that the graphical oval privacy enhancement yielded the same accuracy as raw video, namely 0.91 sensitivity and 0.92 specificity.

Image Processing of Porous Silicon Microarray in Refractive Index Change Detection.

PubMed

Guo, Zhiqing; Jia, Zhenhong; Yang, Jie; Kasabov, Nikola; Li, Chuanxi

2017-06-08

A new method for extracting the dots is proposed by the reflected light image of porous silicon (PSi) microarray utilization in this paper. The method consists of three parts: pretreatment, tilt correction and spot segmentation. First, based on the characteristics of different components in HSV (Hue, Saturation, Value) space, a special pretreatment is proposed for the reflected light image to obtain the contour edges of the array cells in the image. Second, through the geometric relationship of the target object between the initial external rectangle and the minimum bounding rectangle (MBR), a new tilt correction algorithm based on the MBR is proposed to adjust the image. Third, based on the specific requirements of the reflected light image segmentation, the array cells are segmented into dots as large as possible and the distance between the dots is equal in the corrected image. Experimental results show that the pretreatment part of this method can effectively avoid the influence of complex background and complete the binarization processing of the image. The tilt correction algorithm has a shorter computation time, which makes it highly suitable for tilt correction of reflected light images. The segmentation algorithm makes the dots in a regular arrangement, excludes the edges and the bright spots. This method could be utilized in the fast, accurate and automatic dots extraction of the PSi microarray reflected light image.

Image Processing of Porous Silicon Microarray in Refractive Index Change Detection

PubMed Central

Guo, Zhiqing; Jia, Zhenhong; Yang, Jie; Kasabov, Nikola; Li, Chuanxi

2017-01-01

A new method for extracting the dots is proposed by the reflected light image of porous silicon (PSi) microarray utilization in this paper. The method consists of three parts: pretreatment, tilt correction and spot segmentation. First, based on the characteristics of different components in HSV (Hue, Saturation, Value) space, a special pretreatment is proposed for the reflected light image to obtain the contour edges of the array cells in the image. Second, through the geometric relationship of the target object between the initial external rectangle and the minimum bounding rectangle (MBR), a new tilt correction algorithm based on the MBR is proposed to adjust the image. Third, based on the specific requirements of the reflected light image segmentation, the array cells are segmented into dots as large as possible and the distance between the dots is equal in the corrected image. Experimental results show that the pretreatment part of this method can effectively avoid the influence of complex background and complete the binarization processing of the image. The tilt correction algorithm has a shorter computation time, which makes it highly suitable for tilt correction of reflected light images. The segmentation algorithm makes the dots in a regular arrangement, excludes the edges and the bright spots. This method could be utilized in the fast, accurate and automatic dots extraction of the PSi microarray reflected light image. PMID:28594383

Photochromic amorphous molecular materials and their applications

NASA Astrophysics Data System (ADS)

Shirota, Yasuhiko; Utsumi, Hisayuki; Ujike, Toshiki; Yoshikawa, Satoru; Moriwaki, Kazuyuki; Nagahama, Daisuke; Nakano, Hideyuki

2003-01-01

Two novel classes of photochromic amorphous molecular materials based on azobenzene and dithienylethene were designed and synthesized. They were found to readily form amorphous glasses with well-defined glass-transition temperatures when the melt samples were cooled on standing in air and to exhibit photochromism in their amorphous films as well as in solution. Photochromic properties of these materials are discussed in relation to their molecular structures. Surface relief grating was formed on the amorphous films of azobenzene-based photochromic amorphous molecular materials by irradiation with two coherent Ar + laser beams. Dual image was formed at the same location of the films of dithienylethene-based photochromic amorphous molecular materials by irradiation with two linearly polarized light beams perpendicular to each other.

Cursor Control Device Test Battery

NASA Technical Reports Server (NTRS)

Holden, Kritina; Sandor, Aniko; Pace, John; Thompson, Shelby

2013-01-01

The test battery was developed to provide a standard procedure for cursor control device evaluation. The software was built in Visual Basic and consists of nine tasks and a main menu that integrates the set-up of the tasks. The tasks can be used individually, or in a series defined in the main menu. Task 1, the Unidirectional Pointing Task, tests the speed and accuracy of clicking on targets. Two rectangles with an adjustable width and adjustable center- to-center distance are presented. The task is to click back and forth between the two rectangles. Clicks outside of the rectangles are recorded as errors. Task 2, Multidirectional Pointing Task, measures speed and accuracy of clicking on targets approached from different angles. Twenty-five numbered squares of adjustable width are arranged around an adjustable diameter circle. The task is to point and click on the numbered squares (placed on opposite sides of the circle) in consecutive order. Clicks outside of the squares are recorded as errors. Task 3, Unidirectional (horizontal) Dragging Task, is similar to dragging a file into a folder on a computer desktop. Task 3 requires dragging a square of adjustable width from one rectangle and dropping it into another. The width of each rectangle is adjustable, as well as the distance between the two rectangles. Dropping the square outside of the rectangles is recorded as an error. Task 4, Unidirectional Path Following, is similar to Task 3. The task is to drag a square through a tunnel consisting of two lines. The size of the square and the width of the tunnel are adjustable. If the square touches any of the lines, it is counted as an error and the task is restarted. Task 5, Text Selection, involves clicking on a Start button, and then moving directly to the underlined portion of the displayed text and highlighting it. The pointing distance to the text is adjustable, as well as the to-be-selected font size and the underlined character length. If the selection does not include all of the underlined characters, or includes non-underlined characters, it is recorded as an error. Task 6, Multi-size and Multi-distance Pointing, presents the participant with 24 consecutively numbered buttons of different sizes (63 to 163 pixels), and at different distances (60 to 80 pixels) from the Start button. The task is to click on the Start button, and then move directly to, and click on, each numbered target button in consecutive order. Clicks outside of the target area are errors. Task 7, Standard Interface Elements Task, involves interacting with standard interface elements as instructed in written procedures, including: drop-down menus, sliders, text boxes, radio buttons, and check boxes. Task completion time is recorded. In Task 8, a circular track is presented with a disc in it at the top. Track width and disc size are adjustable. The task is to move the disc with circular motion within the path without touching the boundaries of the track. Time and errors are recorded. Task 9 is a discrete task that allows evaluation of discrete cursor control devices that tab from target to target, such as a castle switch. The task is to follow a predefined path and to click on the yellow targets along the path.

Gamma ray evaluation of fast neutron irradiated on topaz from Sri Lanka by HPGe gamma ray spectrometry

NASA Astrophysics Data System (ADS)

Boonsook, K.; Kaewwiset, W.; Limsuwan, P.; Naemchanthara, K.

2017-09-01

The purpose of this study was to evaluate the radionuclide concentrations of London blue topaz after fast neutron irradiation. The London blue topaz was obtained from Sri Lanka which classified into dark and light colors in the shape of an oval and rectangle with small, medium and large size. The optical property and radionuclide concentrations of London blue topaz have been examine by UV-Visible spectroscopy and HPGe gamma ray spectrometry, respectively. The UV-absorption spectra of topaz was taken in the range of 300 to 800 nm at room temperature. The results showed that the absorption peak of topaz was observed with only broad peaks in the range of 550 to 700 nm and 630 nm that correlated to the O - center in hydroxyl sites which substitutes for fluorine in topaz structure. The radioactivity of dark and light colors in the shape of an oval and rectangle London blue topaz was in the range of 1.437 ± 0.014 to 21.551 ± 0.037 nCi/g (oval dark), 2.958 ± 0.031 to 6.748 ± 0.054 nCi/g (oval light) and 2.350 ± 0.014 to 43.952 ± 0.088 nCi/g (rectangle dark), 1.442 ± 0.023 to 6.748 ± 0.054 nCi/g (rectangle light), respectively. The decay rates of 46Sc, 182Ta and 54Mn isotopes created by irradiation showed that the decay time of the radioactive element depended on the size of the topaz so increased with decreasing the size of topaz. Moreover, the size of topaz also affect the absorption coefficient. This study is applied to predict time of residue dose of topaz for enhancement colorless topaz by neutron radiation treatment.

Content-aware automatic cropping for consumer photos

NASA Astrophysics Data System (ADS)

Tang, Hao; Tretter, Daniel; Lin, Qian

2013-03-01

Consumer photos are typically authored once, but need to be retargeted for reuse in various situations. These include printing a photo on different size paper, changing the size and aspect ratio of an embedded photo to accommodate the dynamic content layout of web pages or documents, adapting a large photo for browsing on small displays such as mobile phone screens, and improving the aesthetic quality of a photo that was badly composed at the capture time. In this paper, we propose a novel, effective, and comprehensive content-aware automatic cropping (hereafter referred to as "autocrop") method for consumer photos to achieve the above purposes. Our autocrop method combines the state-of-the-art context-aware saliency detection algorithm, which aims to infer the likely intent of the photographer, and the "branch-and-bound" efficient subwindow search optimization technique, which seeks to locate the globally optimal cropping rectangle in a fast manner. Unlike most current autocrop methods, which can only crop a photo into an arbitrary rectangle, our autocrop method can automatically crop a photo into either a rectangle of arbitrary dimensions or a rectangle of the desired aspect ratio specified by the user. The aggressiveness of the cropping operation may be either automatically determined by the method or manually indicated by the user with ease. In addition, our autocrop method is extended to support the cropping of a photo into non-rectangular shapes such as polygons of any number of sides. It may also be potentially extended to return multiple cropping suggestions, which will enable the creation of new photos to enrich the original photo collections. Our experimental results show that the proposed autocrop method in this paper can generate high-quality crops for consumer photos of various types.

Arbitrary-Shaped Graphene-Based Planar Sandwich Supercapacitors on One Substrate with Enhanced Flexibility and Integration.

PubMed

Zheng, Shuanghao; Tang, Xingyan; Wu, Zhong-Shuai; Tan, Yuan-Zhi; Wang, Sen; Sun, Chenglin; Cheng, Hui-Ming; Bao, Xinhe

2017-02-28

The emerging smart power source-unitized electronics represent an utmost innovative paradigm requiring dramatic alteration from materials to device assembly and integration. However, traditional power sources with huge bottlenecks on the design and performance cannot keep pace with the revolutionized progress of shape-confirmable integrated circuits. Here, we demonstrate a versatile printable technology to fabricate arbitrary-shaped, printable graphene-based planar sandwich supercapacitors based on the layer-structured film of electrochemically exfoliated graphene as two electrodes and nanosized graphene oxide (lateral size of 100 nm) as a separator on one substrate. These monolithic planar supercapacitors not only possess arbitrary shapes, e.g., rectangle, hollow-square, "A" letter, "1" and "2" numbers, circle, and junction-wire shape, but also exhibit outstanding performance (∼280 F cm -3 ), excellent flexibility (no capacitance degradation under different bending states), and applicable scalability, which are far beyond those achieved by conventional technologies. More notably, such planar supercapacitors with superior integration can be readily interconnected in parallel and series, without use of metal interconnects and contacts, to modulate the output current and voltage of modular power sources for designable integrated circuits in various shapes and sizes.

Collinear cluster tri-partition - the brightest observations and their treating

NASA Astrophysics Data System (ADS)

Pyatkov, Yu V.; Kamanin, D. V.; Lavrova, J. E.; Mkaza, N.; Malaza, V.; Strekalovsky, A. O.

2017-06-01

Careful studies of the fission fragments mass correlation distributions let us to reveal specific linear structures in the region of a big missing mass. It became possible due to applying of effective cleaning of this region from the background linked with scattered fragments. One of the most pronounced structure looks like a rectangle bounded by the magic nuclei. The fission events aggregated in the rectangle show a very low total kinetic energy. We propose possible scenario of forming and decay of the multi-cluster prescission configuration decisive for the experimental findings. This approach is valid as well for treating of another rare decay modes discovered in the past.

Working memory capacity of biological movements predicts empathy traits.

PubMed

Gao, Zaifeng; Ye, Tian; Shen, Mowei; Perry, Anat

2016-04-01

Working memory (WM) and empathy are core issues in cognitive and social science, respectively. However, no study so far has explored the relationship between these two constructs. Considering that empathy takes place based on the others' observed experiences, which requires extracting the observed dynamic scene into WM and forming a coherent representation, we hypothesized that a sub-type of WM capacity, i.e., WM for biological movements (BM), should predict one's empathy level. Therefore, WM capacity was measured for three distinct types of stimuli in a change detection task: BM of human beings (BM; Experiment 1), movements of rectangles (Experiment 2), and static colors (Experiment 3). The first two stimuli were dynamic and shared one WM buffer which differed from the WM buffer for colors; yet only the BM conveyed social information. We found that BM-WM capacity was positively correlated with both cognitive and emotional empathy, with no such correlations for WM capacity of movements of rectangles or of colors. Thus, the current study is the first to provide evidence linking a specific buffer of WM and empathy, and highlights the necessity for considering different WM capacities in future social and clinical research.

Computer access security code system

NASA Technical Reports Server (NTRS)

Collins, Earl R., Jr. (Inventor)

1990-01-01

A security code system for controlling access to computer and computer-controlled entry situations comprises a plurality of subsets of alpha-numeric characters disposed in random order in matrices of at least two dimensions forming theoretical rectangles, cubes, etc., such that when access is desired, at least one pair of previously unused character subsets not found in the same row or column of the matrix is chosen at random and transmitted by the computer. The proper response to gain access is transmittal of subsets which complete the rectangle, and/or a parallelepiped whose opposite corners were defined by first groups of code. Once used, subsets are not used again to absolutely defeat unauthorized access by eavesdropping, and the like.

Sensor Phenomenology and Feature Development for Improved Sonar-based Detection & Classification of Underwater UXO

DTIC Science & Technology

2009-12-01

the validity of approximating poroelastic media with acoustic or acoustic /elastic models , and to characterize how scattering physics will differ for...elastic buried object (yellow rectangle in the figure) in three types of environments: • (1) Model 1: acoustic layer on top of a poroelastic medium with a...porosity gradient and no viscous damping. • (2) Model 2: acoustic layer on top of a poroelastic medium with a porosity gradient and viscous damping

Novel Techniques for Characterizing and Understanding the Response of Rubbers and Rubber-Based Composites to Impact Loading

DTIC Science & Technology

2016-09-30

4 of 42 Figure 9. Left: Schematic representation of the gas -gun experiment and a typical speckle pattern the specimen surface, the 12...12 correlation window used in subsequent analysis is also indicated (red rectangle). Right: a photograph of the gas -gun system...20 Figure 11. Left: Averaged acceleration and strain rate and history of μ and α prediction from gas -gun experiment on an EPDM specimen

Heat transfer enhancement and pumping power optimization using CuO-water nanofluid through rectangular corrugated pipe

NASA Astrophysics Data System (ADS)

Salehin, Musfequs; Ehsan, Mohammad Monjurul; Islam, A. K. M. Sadrul

2017-06-01

Heat transfer enhancement by corrugation in fluid domain is a popular method. The rate of improvement is more when it is used highly thermal conductive fluid as heating or cooling medium. In this present study, heat transfer augmentation was investigated numerically by implementing corrugation in the fluid domain and nanofluid as the base fluid in the turbulent forced convection regime. Finite volume method (FVM) was applied to solve the continuity, momentum and energy equations. All the numerical simulations were considered for single phase flow. A rectangle corrugated pipe with 5000 W/m2 constant heat flux subjected to the corrugated wall was considered as the fluid domain. In the range of Reynolds number 15000 to 40000, thermo-physical and hydrodynamic behavior was investigated by using CuO-water nanofluid from 1% to 5% volume fraction as the base fluid through the corrugated fluid domain. Corrugation justification was performed by changing the amplitude of the corrugation and the corrugation wave length for obtaining the increased heat transfer rate with minimum pumping power. For using CuO-water nanofluid, augmentation was also found more in the rectangle corrugated pipe both in heat transfer and pumping power requirement with the increase of Reynolds number and the volume fraction of nanofluid. For the increased pumping power, optimization of pumping power by using nanofluid was also performed for economic finding.

A distributed air index based on maximum boundary rectangle over grid-cells for wireless non-flat spatial data broadcast.

PubMed

Im, Seokjin; Choi, JinTak

2014-06-17

In the pervasive computing environment using smart devices equipped with various sensors, a wireless data broadcasting system for spatial data items is a natural way to efficiently provide a location dependent information service, regardless of the number of clients. A non-flat wireless broadcast system can support the clients in accessing quickly their preferred data items by disseminating the preferred data items more frequently than regular data on the wireless channel. To efficiently support the processing of spatial window queries in a non-flat wireless data broadcasting system, we propose a distributed air index based on a maximum boundary rectangle (MaxBR) over grid-cells (abbreviated DAIM), which uses MaxBRs for filtering out hot data items on the wireless channel. Unlike the existing index that repeats regular data items in close proximity to hot items at same frequency as hot data items in a broadcast cycle, DAIM makes it possible to repeat only hot data items in a cycle and reduces the length of the broadcast cycle. Consequently, DAIM helps the clients access the desired items quickly, improves the access time, and reduces energy consumption. In addition, a MaxBR helps the clients decide whether they have to access regular data items or not. Simulation studies show the proposed DAIM outperforms existing schemes with respect to the access time and energy consumption.

Theoretical discovery of stable structures of group III-V monolayers: The materials for semiconductor devices

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

Suzuki, Tatsuo, E-mail: dr.tatsuosuzuki@gmail.com

Group III-V compounds are very important as the materials of semiconductor devices. Stable structures of the monolayers of group III-V binary compounds have been discovered by using first-principles calculations. The primitive unit cell of the discovered structures is a rectangle, which includes four group-III atoms and four group-V atoms. A group-III atom and its three nearest-neighbor group-V atoms are placed on the same plane; however, these connections are not the sp{sup 2} hybridization. The bond angles around the group-V atoms are less than the bond angle of sp{sup 3} hybridization. The discovered structure of GaP is an indirect transition semiconductor,more » while the discovered structures of GaAs, InP, and InAs are direct transition semiconductors. Therefore, the discovered structures of these compounds have the potential of the materials for semiconductor devices, for example, water splitting photocatalysts. The discovered structures may become the most stable structures of monolayers which consist of other materials.« less

Symmetry and scale orient Min protein patterns in shaped bacterial sculptures

NASA Astrophysics Data System (ADS)

Wu, Fabai; van Schie, Bas G. C.; Keymer, Juan E.; Dekker, Cees

2015-08-01

The boundary of a cell defines the shape and scale of its subcellular organization. However, the effects of the cell's spatial boundaries as well as the geometry sensing and scale adaptation of intracellular molecular networks remain largely unexplored. Here, we show that living bacterial cells can be ‘sculpted’ into defined shapes, such as squares and rectangles, which are used to explore the spatial adaptation of Min proteins that oscillate pole-to-pole in rod-shaped Escherichia coli to assist cell division. In a wide geometric parameter space, ranging from 2 × 1 × 1 to 11 × 6 × 1 μm3, Min proteins exhibit versatile oscillation patterns, sustaining rotational, longitudinal, diagonal, stripe and even transversal modes. These patterns are found to directly capture the symmetry and scale of the cell boundary, and the Min concentration gradients scale with the cell size within a characteristic length range of 3-6 μm. Numerical simulations reveal that local microscopic Turing kinetics of Min proteins can yield global symmetry selection, gradient scaling and an adaptive range, when and only when facilitated by the three-dimensional confinement of the cell boundary. These findings cannot be explained by previous geometry-sensing models based on the longest distance, membrane area or curvature, and reveal that spatial boundaries can facilitate simple molecular interactions to result in far more versatile functions than previously understood.

Three-dimensional finite element analysis on canine teeth distalization by different accessories of bracket-free invisible orthodontics technology

NASA Astrophysics Data System (ADS)

Xu, Nuo; Lei, Xue; Yang, Xiaoli; Li, Xinhui; Ge, Zhenlin

2018-04-01

Objective: to compare canine tooth stress distribution condition during maxillary canine tooth distalization by different accessories of bracket-free invisible orthodontics technology after removal of maxillary first premolar, and provide basis for clinical design of invisible orthodontics technology. Method: CBCT scanning image of a patient with individual normal occlusion was adopted, Mimics, Geomagic and ProlE software were used for establishing three-dimensional models of maxilla, maxillary dentition, parodontium, invisible orthodontics appliance and accessories, ANSYS WORKBENCH was utilized as finite element analysis tools for analyzing stress distribution and movement pattern of canine tooth and parodontium when canine tooth was equipped with power arm and vertical rectangle accessory. Meanwhile, canine tooth none-accessory design group was regarded as a control. Result: teeth had even bistal surface stress distribution in the power arm group; stress was concentrated on distal tooth neck, and the stress was gradually deviated to mesial-labial side and distal lingual side in vertical rectangle group and none-accessory group. Conclusion: teeth tend to move as a whole in the Power arm group, vertical rectangle group has lower tooth gradient compared with the none-accessory group, teeth are inclined for movement in the none-accessory group, and canine teeth tend to rotate to the distal lingual side.

TRIPPy: Python-based Trailed Source Photometry

NASA Astrophysics Data System (ADS)

Fraser, Wesley C.; Alexandersen, Mike; Schwamb, Megan E.; Marsset, Michael E.; Pike, Rosemary E.; Kavelaars, JJ; Bannister, Michele T.; Benecchi, Susan; Delsanti, Audrey

2016-05-01

TRIPPy (TRailed Image Photometry in Python) uses a pill-shaped aperture, a rectangle described by three parameters (trail length, angle, and radius) to improve photometry of moving sources over that done with circular apertures. It can generate accurate model and trailed point-spread functions from stationary background sources in sidereally tracked images. Appropriate aperture correction provides accurate, unbiased flux measurement. TRIPPy requires numpy, scipy, matplotlib, Astropy (ascl:1304.002), and stsci.numdisplay; emcee (ascl:1303.002) and SExtractor (ascl:1010.064) are optional.

An Exact Efficiency Formula for Holographic Heat Engines

DOE PAGES

Johnson, Clifford

2016-03-31

Further consideration is given to the efficiency of a class of black hole heat engines that perform mechanical work via the pdV terms present in the First Law of extended gravitational thermodynamics. It is noted that, when the engine cycle is a rectangle with sides parallel to the (p,V) axes, the efficiency can be written simply in terms of the mass of the black hole evaluated at the corners. Since an arbitrary cycle can be approximated to any desired accuracy by a tiling of rectangles, a general geometrical algorithm for computing the efficiency of such a cycle follows. Finally, amore » simple generalization of the algorithm renders it applicable to broader classes of heat engine, even beyond the black hole context.« less

The Researches on I-beam of different web’s shapes

NASA Astrophysics Data System (ADS)

Shuang, Chao; Zhou, Dong Hua

2018-05-01

When the ratio of height to thickness of girder web is relatively high, generally the local stability of web is enhanced by setting up stiffeners. But setting up stiffeners not only increase the use of material, but also increases the welding work. Therefore, the web can be processed into trapezoid, curve, triangles and rectangle to improve its stability. In order to study the mechanical behavior of the web with different shapes and its local stable bearing capacity, the finite element analysis software ANSYS was used to analyze the six I-beam, and the stress characteristics under different web forms were obtained. The results show that the local stability bearing capacity of the I-beam is improved, especially the shape of the trapezoidal web and the shape of the curved web have a significant effect on the local stability of the I-beam. Finally, based on the study of the local stability of the trapezoidal web and the curved web, the influence of their geometrical dimensions on the local stable bearing capacity is also studied.

Features in visual search combine linearly

PubMed Central

Pramod, R. T.; Arun, S. P.

2014-01-01

Single features such as line orientation and length are known to guide visual search, but relatively little is known about how multiple features combine in search. To address this question, we investigated how search for targets differing in multiple features (intensity, length, orientation) from the distracters is related to searches for targets differing in each of the individual features. We tested race models (based on reaction times) and co-activation models (based on reciprocal of reaction times) for their ability to predict multiple feature searches. Multiple feature searches were best accounted for by a co-activation model in which feature information combined linearly (r = 0.95). This result agrees with the classic finding that these features are separable i.e., subjective dissimilarity ratings sum linearly. We then replicated the classical finding that the length and width of a rectangle are integral features—in other words, they combine nonlinearly in visual search. However, to our surprise, upon including aspect ratio as an additional feature, length and width combined linearly and this model outperformed all other models. Thus, length and width of a rectangle became separable when considered together with aspect ratio. This finding predicts that searches involving shapes with identical aspect ratio should be more difficult than searches where shapes differ in aspect ratio. We confirmed this prediction on a variety of shapes. We conclude that features in visual search co-activate linearly and demonstrate for the first time that aspect ratio is a novel feature that guides visual search. PMID:24715328

Optimization method of superpixel analysis for multi-contrast Jones matrix tomography (Conference Presentation)

NASA Astrophysics Data System (ADS)

Miyazawa, Arata; Hong, Young-Joo; Makita, Shuichi; Kasaragod, Deepa K.; Miura, Masahiro; Yasuno, Yoshiaki

2017-02-01

Local statistics are widely utilized for quantification and image processing of OCT. For example, local mean is used to reduce speckle, local variation of polarization state (degree-of-polarization-uniformity (DOPU)) is used to visualize melanin. Conventionally, these statistics are calculated in a rectangle kernel whose size is uniform over the image. However, the fixed size and shape of the kernel result in a tradeoff between image sharpness and statistical accuracy. Superpixel is a cluster of pixels which is generated by grouping image pixels based on the spatial proximity and similarity of signal values. Superpixels have variant size and flexible shapes which preserve the tissue structure. Here we demonstrate a new superpixel method which is tailored for multifunctional Jones matrix OCT (JM-OCT). This new method forms the superpixels by clustering image pixels in a 6-dimensional (6-D) feature space (spatial two dimensions and four dimensions of optical features). All image pixels were clustered based on their spatial proximity and optical feature similarity. The optical features are scattering, OCT-A, birefringence and DOPU. The method is applied to retinal OCT. Generated superpixels preserve the tissue structures such as retinal layers, sclera, vessels, and retinal pigment epithelium. Hence, superpixel can be utilized as a local statistics kernel which would be more suitable than a uniform rectangle kernel. Superpixelized image also can be used for further image processing and analysis. Since it reduces the number of pixels to be analyzed, it reduce the computational cost of such image processing.

Heilongjiang Province, China

NASA Image and Video Library

2012-12-07

Acquired by NASA Terra spacecraft, this image shows Heilongjiang, a province of China located in the northeastern part of the country. Farms are small and long skinny rectangles in shape, surrounding regularly spaced villages.

The Identification of Complex Organic Molecules in the Interstellar Medium: Using Lasers and Matrix Isolation Spectroscopy to Simulate the Interstellar Environment

NASA Technical Reports Server (NTRS)

Stone, Bradley M.

1998-01-01

The Astrochemistry Group at NASA Ames Research Center is interested in the identification of large organic molecules in the interstellar medium Many smaller organic species (e.g. hydrocarbons, alcohols, etc.) have been previously identified by their radiofrequency signature due to molecular rotations. However, this becomes increasingly difficult to observe as the size of the molecule increases. Our group in interested in the identification of the carriers of the Diffuse Interstellar Bands (absorption features observed throughout the visible and near-infrared in the spectra of stars, due to species in the interstellar medium). Polycyclic Aromatic Hydrocarbons (PAHs) and related molecules are thought to be good candidates for these carriers. Laboratory experiments am performed at Ames to simulate the interstellar environment, and to compare spectra obtained from molecules in the laboratory to those derived astronomically. We are also interested in PAHs with respect to their possible connection to the UIR (Unidentified infrared) and ERE (Extended Red Emission) bands - emission features found to emanate from particular regions of our galaxy (e.g. Orion nebula, Red Rectangle, etc.). An old, "tried and proven spectroscopic technique, matrix isolation spectroscopy creates molecular conditions ideal for performing laboratory astrophysics.

Object-based inversion of crosswell radar tomography data to monitor vegetable oil injection experiments

USGS Publications Warehouse

Lane, John W.; Day-Lewis, Frederick D.; Versteeg, Roelof J.; Casey, Clifton C.

2004-01-01

Crosswell radar methods can be used to dynamically image ground-water flow and mass transport associated with tracer tests, hydraulic tests, and natural physical processes, for improved characterization of preferential flow paths and complex aquifer heterogeneity. Unfortunately, because the raypath coverage of the interwell region is limited by the borehole geometry, the tomographic inverse problem is typically underdetermined, and tomograms may contain artifacts such as spurious blurring or streaking that confuse interpretation.We implement object-based inversion (using a constrained, non-linear, least-squares algorithm) to improve results from pixel-based inversion approaches that utilize regularization criteria, such as damping or smoothness. Our approach requires pre- and post-injection travel-time data. Parameterization of the image plane comprises a small number of objects rather than a large number of pixels, resulting in an overdetermined problem that reduces the need for prior information. The nature and geometry of the objects are based on hydrologic insight into aquifer characteristics, the nature of the experiment, and the planned use of the geophysical results.The object-based inversion is demonstrated using synthetic and crosswell radar field data acquired during vegetable-oil injection experiments at a site in Fridley, Minnesota. The region where oil has displaced ground water is discretized as a stack of rectangles of variable horizontal extents. The inversion provides the geometry of the affected region and an estimate of the radar slowness change for each rectangle. Applying petrophysical models to these results and porosity from neutron logs, we estimate the vegetable-oil emulsion saturation in various layers.Using synthetic- and field-data examples, object-based inversion is shown to be an effective strategy for inverting crosswell radar tomography data acquired to monitor the emplacement of vegetable-oil emulsions. A principal advantage of object-based inversion is that it yields images that hydrologists and engineers can easily interpret and use for model calibration.

Direct and Quantitative Characterization of Dynamic Ligand Exchange between Coordination-Driven Self-Assembled Supramolecular Polygons

PubMed Central

Zheng, Yao-Rong; Stang, Peter J.

2009-01-01

The direct observation of dynamic ligand exchange beween Pt-N coordination-driven self-assembled supramolecular polygons (triangles and rectangles) has been achieved using stable isotope labeling (1H/2D) of the pyridyl donors and electrospray ionization mass spectrometry (ESI-MS) together with NMR spectroscopy. Both the thermodynamic and kinetic aspects of such exchange processes have been established based on quantitative mass spectral results. Further investigation showed that the exchange is highly dependent on experimental conditions such as temperature, solvent, and the counter anions. PMID:19243144

When biomolecules meet graphene: from molecular level interactions to material design and applications.

PubMed

Li, Dapeng; Zhang, Wensi; Yu, Xiaoqing; Wang, Zhenping; Su, Zhiqiang; Wei, Gang

2016-12-01

Graphene-based materials have attracted increasing attention due to their atomically-thick two-dimensional structures, high conductivity, excellent mechanical properties, and large specific surface areas. The combination of biomolecules with graphene-based materials offers a promising method to fabricate novel graphene-biomolecule hybrid nanomaterials with unique functions in biology, medicine, nanotechnology, and materials science. In this review, we focus on a summarization of the recent studies in functionalizing graphene-based materials using different biomolecules, such as DNA, peptides, proteins, enzymes, carbohydrates, and viruses. The different interactions between graphene and biomolecules at the molecular level are demonstrated and discussed in detail. In addition, the potential applications of the created graphene-biomolecule nanohybrids in drug delivery, cancer treatment, tissue engineering, biosensors, bioimaging, energy materials, and other nanotechnological applications are presented. This review will be helpful to know the modification of graphene with biomolecules, understand the interactions between graphene and biomolecules at the molecular level, and design functional graphene-based nanomaterials with unique properties for various applications.

Retaining Ring Fastener for Solar Panels

NASA Technical Reports Server (NTRS)

Wilson, A. H.

1983-01-01

Simple articulating linkage secures solar panels into supporting framework. Five element linkage collapses into W-shape for easy placement into framework, then expands to form rectangle of same dimensions as those of panel.

Research on Shock Responses of Three Types of Honeycomb Cores

NASA Astrophysics Data System (ADS)

Peng, Fei; Yang, Zhiguang; Jiang, Liangliang; Ren, Yanting

2018-03-01

The shock responses of three kinds of honeycomb cores have been investigated and analyzed based on explicit dynamics analysis. According to the real geometric configuration and the current main manufacturing methods of aluminum alloy honeycomb cores, the finite element models of honeycomb cores with three different cellular configurations (conventional hexagon honeycomb core, rectangle honeycomb core and auxetic honeycomb core with negative Poisson’s ratio) have been established through FEM parametric modeling method based on Python and Abaqus. In order to highlight the impact response characteristics of the above three honeycomb cores, a 5 mm thick panel with the same mass and material was taken as contrast. The analysis results showed that the peak values of longitudinal acceleration history curves of the three honeycomb cores were lower than those of the aluminum alloy panel in all three reference points under the loading of a longitudinal pulse pressure load with the peak value of 1 MPa and the pulse width of 1 μs. It could be concluded that due to the complex reflection and diffraction of stress wave induced by shock in honeycomb structures, the impact energy was redistributed which led to a decrease in the peak values of the longitudinal acceleration at the measuring points of honeycomb cores relative to the panel.

Self assembly of rectangular shapes on concentration programming and probabilistic tile assembly models.

PubMed

Kundeti, Vamsi; Rajasekaran, Sanguthevar

2012-06-01

Efficient tile sets for self assembling rectilinear shapes is of critical importance in algorithmic self assembly. A lower bound on the tile complexity of any deterministic self assembly system for an n × n square is [Formula: see text] (inferred from the Kolmogrov complexity). Deterministic self assembly systems with an optimal tile complexity have been designed for squares and related shapes in the past. However designing [Formula: see text] unique tiles specific to a shape is still an intensive task in the laboratory. On the other hand copies of a tile can be made rapidly using PCR (polymerase chain reaction) experiments. This led to the study of self assembly on tile concentration programming models. We present two major results in this paper on the concentration programming model. First we show how to self assemble rectangles with a fixed aspect ratio ( α:β ), with high probability, using Θ( α + β ) tiles. This result is much stronger than the existing results by Kao et al. (Randomized self-assembly for approximate shapes, LNCS, vol 5125. Springer, Heidelberg, 2008) and Doty (Randomized self-assembly for exact shapes. In: proceedings of the 50th annual IEEE symposium on foundations of computer science (FOCS), IEEE, Atlanta. pp 85-94, 2009)-which can only self assembly squares and rely on tiles which perform binary arithmetic. On the other hand, our result is based on a technique called staircase sampling . This technique eliminates the need for sub-tiles which perform binary arithmetic, reduces the constant in the asymptotic bound, and eliminates the need for approximate frames (Kao et al. Randomized self-assembly for approximate shapes, LNCS, vol 5125. Springer, Heidelberg, 2008). Our second result applies staircase sampling on the equimolar concentration programming model (The tile complexity of linear assemblies. In: proceedings of the 36th international colloquium automata, languages and programming: Part I on ICALP '09, Springer-Verlag, pp 235-253, 2009), to self assemble rectangles (of fixed aspect ratio) with high probability. The tile complexity of our algorithm is Θ(log( n )) and is optimal on the probabilistic tile assembly model (PTAM)- n being an upper bound on the dimensions of a rectangle.

Development of Metal Cluster-Based Energetic Materials at NSWC-IHD

DTIC Science & Technology

2011-01-01

reactivity of NixAly + clusters with nitromethane was investigated using a gas-phase molecular beam system. Results indicate that nitromethane is highly...clusters make up the subunit of a molecular metal-based energetic material. The reactivity of NixAly+ clusters with nitromethane was investigated using...a gas-phase molecular beam system. Results indicate that nitromethane is highly reactive toward the NixAly+ clusters and suggests it would not make

Activation of molecular catalysts using semiconductor quantum dots

DOEpatents

Meyer, Thomas J [Chapel Hill, NC; Sykora, Milan [Los Alamos, NM; Klimov, Victor I [Los Alamos, NM

2011-10-04

Photocatalytic materials based on coupling of semiconductor nanocrystalline quantum dots (NQD) and molecular catalysts. These materials have capability to drive or catalyze non-spontaneous chemical reactions in the presence of visible radiation, ultraviolet radiation, or both. The NQD functions in these materials as a light absorber and charge generator. Following light absorption, the NQD activates a molecular catalyst adsorbed on the surface of the NQD via transfer of one or more charges (either electrons or electron-holes) from the NQD to the molecular catalyst. The activated molecular catalyst can then drive a chemical reaction. A photoelectrolytic device that includes such photocatalytic materials is also described.

Keep Counting Those Boxes--There's More.

ERIC Educational Resources Information Center

Mingus, Tabitha T. Y.; Grassl, Richard M.

1998-01-01

Poses and solves several related extensions involving enumerating squares and rectangles. Describes how problem extensions can be developed and used in the classroom to motivate and challenge teachers and students to exert themselves mathematically. (ASK)

A mysterious dust clump in a disk around an evolved binary star system.

PubMed

Jura, M; Turner, J

1998-09-10

The discovery of planets in orbit around the pulsar PSR1257+12 shows that planets may form around post-main-sequence stars. Other evolved stars, such as HD44179 (an evolved star which is part of the binary system that has expelled the gas and dust that make the Red Rectangle nebula), possess gravitationally bound orbiting dust disks. It is possible that planets might form from gravitational collapse in such disks. Here we report high-angular-resolution observations at millimetre and submillimetre wavelengths of the dusk disk associated with the Red Rectangle. We find a dust clump with an estimated mass near that of Jupiter in the outer region of the disk. The clump is larger than our Solar System, and far beyond where planet formation would normally be expected, so its nature is at present unclear.

Representational momentum in older adults.

PubMed

Piotrowski, Andrea S; Jakobson, Lorna S

2011-10-01

Humans have a tendency to perceive motion even in static images that simply "imply" movement. This tendency is so strong that our memory for actions depicted in static images is distorted in the direction of implied motion - a phenomenon known as representational momentum (RM). In the present study, we created an RM display depicting a pattern of implied (clockwise) rotation of a rectangle. Young adults viewers' memory of the final position of the test rectangle was biased in the direction of continuing rotation, but older adults did not show a similar memory bias. We discuss several possible explanations for this group difference, but argue that the failure of older adults to shown an RM effect most likely reflects age-related changes in areas of the brain involved in processing real and implied motion. Copyright © 2011 Elsevier Inc. All rights reserved.

Hierarchical Co-Assembly Enhanced Direct Ink Writing.

PubMed

Li, Longyu; Zhang, Pengfei; Zhang, Zhiyun; Lin, Qianming; Wu, Yuyang; Cheng, Alexander; Lin, Yunxiao; Thompson, Christina M; Smaldone, Ronald A; Ke, Chenfeng

2018-04-23

Integrating intelligent molecular systems into 3D printing materials and transforming their molecular functions to the macroscale with controlled superstructures will unleash great potential for the development of smart materials. Compared to macromolecular 3D printing materials, self-assembled small-molecule-based 3D printing materials are very rare owing to the difficulties of facilitating 3D printability as well as preserving their molecular functions macroscopically. Herein, we report a general approach for the integration of functional small molecules into 3D printing materials for direct ink writing through the introduction of a supramolecular template. A variety of inorganic and organic small-molecule-based inks were 3D-printed, and their superstructures were refined by post-printing hierarchical co-assembly. Through spatial and temporal control of individual molecular events from the nano- to the macroscale, fine-tuned macroscale features were successfully installed in the monoliths. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Microstructure from ferroelastic transitions using strain pseudospin clock models in two and three dimensions: A local mean-field analysis

NASA Astrophysics Data System (ADS)

Vasseur, Romain; Lookman, Turab; Shenoy, Subodh R.

2010-09-01

We show how microstructure can arise in first-order ferroelastic structural transitions, in two and three spatial dimensions, through a local mean-field approximation of their pseudospin Hamiltonians, that include anisotropic elastic interactions. Such transitions have symmetry-selected physical strains as their NOP -component order parameters, with Landau free energies that have a single zero-strain “austenite” minimum at high temperatures, and spontaneous-strain “martensite” minima of NV structural variants at low temperatures. The total free energy also has gradient terms, and power-law anisotropic effective interactions, induced by “no-dislocation” St Venant compatibility constraints. In a reduced description, the strains at Landau minima induce temperature dependent, clocklike ZNV+1 Hamiltonians, with NOP -component strain-pseudospin vectors S⃗ pointing to NV+1 discrete values (including zero). We study elastic texturing in five such first-order structural transitions through a local mean-field approximation of their pseudospin Hamiltonians, that include the power-law interactions. As a prototype, we consider the two-variant square/rectangle transition, with a one-component pseudospin taking NV+1=3 values of S=0,±1 , as in a generalized Blume-Capel model. We then consider transitions with two-component (NOP=2) pseudospins: the equilateral to centered rectangle (NV=3) ; the square to oblique polygon (NV=4) ; the triangle to oblique (NV=6) transitions; and finally the three-dimensional (3D) cubic to tetragonal transition (NV=3) . The local mean-field solutions in two-dimensional and 3D yield oriented domain-wall patterns as from continuous-variable strain dynamics, showing the discrete-variable models capture the essential ferroelastic texturings. Other related Hamiltonians illustrate that structural transitions in materials science can be the source of interesting spin models in statistical mechanics.

1D nanostructured Na7V4(P2O7)4(PO4) as high-potential and superior-performance cathode material for sodium-ion batteries.

PubMed

Deng, Chao; Zhang, Sen

2014-06-25

Tailoring materials into nanostructure offers unprecedented opportunities in the utilization of their functional properties. High-purity Na7V4(P2O7)4(PO4) with 1D nanostructure is prepared as a cathode material for rechargeable Na-ion batteries. An efficient synthetic approach is developed by carefully controlling the crystal growth in the molten sodium phosphate. Based on the XRD, XPS, TG, and morphological characterization, a molten-salt assisted mechanism for nanoarchitecture formation is revealed. The prepared Na7V4(P2O7)4(PO4) nanorod has rectangle sides and preferential [001] growth orientation. GITT evaluation indicates that the sodium de/intercalation of Na7V4(P2O7)4(PO4) nanorod involves V(3+)/V(4+) redox reaction and Na5V(3.5+)4(P2O7)4(PO4) as intermediate phase, which results in two pairs of potential plateaus at the equilibrium potentials of 3.8713 V (V(3+)/V(3.5+)) and 3.8879 V (V(3.5+)/V(4+)), respectively. The unique nanoarchitecture of the phase-pure Na7V4(P2O7)4(PO4) facilitates its reversible sodium de/intercalation, which is beneficial to the high-rate capability and the cycling stability. The Na7V4(P2O7)4(PO4) cathode delivers 80% of the capacity (obtained at C/20) at the 10 C rate and 95% of the initial capacity after 200 cycles. Therefore, it is feasible to design and fabricate an advanced rechargeable sodium-ion battery by employment of 1D nanostructured Na7V4(P2O7)4(PO4) as the cathode material.

Computational Nanotechnology of Molecular Materials, Electronics, and Actuators with Carbon Nanotubes and Fullerenes

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Menon, Madhu; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)

2001-01-01

The role of computational nanotechnology in developing next generation of multifunctional materials, molecular scale electronic and computing devices, sensors, actuators, and machines is described through a brief review of enabling computational techniques and few recent examples derived from computer simulations of carbon nanotube based molecular nanotechnology.

A Game of Space Telephone

NASA Image and Video Library

2006-10-19

This image shows NASA Deep Impact spacecraft being built at Ball Aerospace & Technologies Corporation, Boulder, Colo. On July 2, 2005. The impactor S-band antenna is the rectangle-shaped object seen on the top of the impactor.

Pattern formation based on complex coupling mechanism in dielectric barrier discharge

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

Liu, Weibo; College of Aeronautical Engineering, Binzhou University, Binzhou 256603; Dong, Lifang, E-mail: donglfhbu@163.com, E-mail: pyy1616@163.com

2016-08-15

The pattern formation of cinque-dice square superlattice pattern (CDSSP) is investigated based on the complex coupling mechanism in a dielectric barrier discharge (DBD) system. The spatio-temporal structure of CDSSP obtained by using an intensified-charge coupled device indicates that CDSSP is an interleaving of two kinds of subpatterns (mixture of rectangle and square, and dot-line square) which discharge twice in one half voltage, respectively. Selected by the complex coupling of two subpatterns, the CDSSP can be formed and shows good stability. This investigation based on gas discharge theory together with nonlinear theory may provide a deeper understanding for the nonlinear characteristicsmore » and even the formation mechanism of patterns in DBD.« less

The research of knitting needle status monitoring setup

NASA Astrophysics Data System (ADS)

Liu, Lu; Liao, Xiao-qing; Zhu, Yong-kang; Yang, Wei; Zhang, Pei; Zhao, Yong-kai; Huang, Hui-jie

2013-09-01

In textile production, quality control and testing is the key to ensure the process and improve the efficiency. Defect of the knitting needles is the main factor affecting the quality of the appearance of textiles. Defect detection method based on machine vision and image processing technology is universal. This approach does not effectively identify the defect generated by damaged knitting needles and raise the alarm. We developed a knitting needle status monitoring setup using optical imaging, photoelectric detection and weak signal processing technology to achieve real-time monitoring of weaving needles' position. Depending on the shape of the knitting needle, we designed a kind of Glass Optical Fiber (GOF) light guides with a rectangular port used for transmission of the signal light. To be able to capture the signal of knitting needles accurately, we adopt a optical 4F system which has better imaging quality and simple structure and there is a rectangle image on the focal plane after the system. When a knitting needle passes through position of the rectangle image, the reflected light from needle surface will back to the GOF light guides along the same optical system. According to the intensity of signals, the computer control unit distinguish that the knitting needle is broken or curving. The experimental results show that this system can accurately detect the broken needles and the curving needles on the knitting machine in operating condition.

Solving da Vinci stereopsis with depth-edge-selective V2 cells

PubMed Central

Assee, Andrew; Qian, Ning

2007-01-01

We propose a new model for da Vinci stereopsis based on a coarse-to-fine disparity-energy computation in V1 and disparity-boundary-selective units in V2. Unlike previous work, our model contains only binocular cells, relies on distributed representations of disparity, and has a simple V1-to-V2 feedforward structure. We demonstrate with random dot stereograms that the V2 stage of our model is able to determine the location and the eye-of-origin of monocularly occluded regions and improve disparity map computation. We also examine a few related issues. First, we argue that since monocular regions are binocularly defined, they cannot generally be detected by monocular cells. Second, we show that our coarse-to-fine V1 model for conventional stereopsis explains double matching in Panum’s limiting case. This provides computational support to the notion that the perceived depth of a monocular bar next to a binocular rectangle may not be da Vinci stereopsis per se (Gillam et al., 2003). Third, we demonstrate that some stimuli previously deemed invalid have simple, valid geometric interpretations. Our work suggests that studies of da Vinci stereopsis should focus on stimuli more general than the bar-and-rectangle type and that disparity-boundary-selective V2 cells may provide a simple physiological mechanism for da Vinci stereopsis. PMID:17698163

Molecular Gels as Intermediates in the Synthesis of Porous Materials and Fluorescent Films: Concepts and Applications.

PubMed

Miao, Rong; Peng, Junxia; Fang, Yu

2017-10-10

Low-molecular-mass organic gelator (LMOG)-based molecular gels are known as one of the most attractive soft materials and have received great attention since the early 1990s. In the last few decades, many LMOGs have been synthesized, and a series of theories have been proposed to better understand molecular gels. However, only limited applications of LMOGs have been realized for a variety of reasons, such as their lack of stability compared to chemical gels. Therefore, efforts to explore the applications of these materials are especially meaningful. As an example, this feature article mainly introduces studies on the application of LMOGs as intermediates in porous materials and fluorescent sensing films. Particular attention will be paid to gelator design, LMOG emulsion preparation, solid surface modification, and the practical application of the obtained materials. Concepts that are related to these studies, such as organic gel-water interface equilibria and molecular gel strategies, will be comprehensively illustrated. Finally, we will conclude with a study of LMOG-based intermediates. Some challenges and future perspectives related to these research areas will also be presented. It is anticipated that this feature article will not only contribute to the further understanding of LMOG-based intermediates but also will help to promote the practical application of molecular gels and facilitate development in related research areas.

MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials

NASA Astrophysics Data System (ADS)

Niu, Yingli; Li, Wenqiang; Peng, Qian; Geng, Hua; Yi, Yuanping; Wang, Linjun; Nan, Guangjun; Wang, Dong; Shuai, Zhigang

2018-04-01

MOlecular MAterials Property Prediction Package (MOMAP) is a software toolkit for molecular materials property prediction. It focuses on luminescent properties and charge mobility properties. This article contains a brief descriptive introduction of key features, theoretical models and algorithms of the software, together with examples that illustrate the performance. First, we present the theoretical models and algorithms for molecular luminescent properties calculation, which includes the excited-state radiative/non-radiative decay rate constant and the optical spectra. Then, a multi-scale simulation approach and its algorithm for the molecular charge mobility are described. This approach is based on hopping model and combines with Kinetic Monte Carlo and molecular dynamics simulations, and it is especially applicable for describing a large category of organic semiconductors, whose inter-molecular electronic coupling is much smaller than intra-molecular charge reorganisation energy.

21 CFR 166.40 - Labeling of margarine.

Code of Federal Regulations, 2014 CFR

2014-04-01

... each letter as measured by a closely fitting rectangle drawn around it, and the boldness of letters or... letters in the word “oleomargarine” or “margarine” should be equal to or exceed in prominence and boldness...

21 CFR 166.40 - Labeling of margarine.

Code of Federal Regulations, 2013 CFR

2013-04-01

... each letter as measured by a closely fitting rectangle drawn around it, and the boldness of letters or... letters in the word “oleomargarine” or “margarine” should be equal to or exceed in prominence and boldness...

21 CFR 166.40 - Labeling of margarine.

Code of Federal Regulations, 2012 CFR

2012-04-01

... each letter as measured by a closely fitting rectangle drawn around it, and the boldness of letters or... letters in the word “oleomargarine” or “margarine” should be equal to or exceed in prominence and boldness...

The Magic of Balanced Groups: Educational Applications of Magic Squares

ERIC Educational Resources Information Center

Bosse, Michael J.; Nandakumar, N. R.; Ore, Melanie L.

2007-01-01

This paper provides students with many interesting observations regarding the nature of magic squares, magic rectangles, and quasi-magic squares and provides tools for teachers to group students into ability-balanced cooperative learning groups.

The trading rectangle strategy within book models

NASA Astrophysics Data System (ADS)

Matassini, Lorenzo

2001-12-01

We introduce a model of trading where traders interact through the insertion of orders in the book. This matching mechanism is a collection of the activity of agents: They can trade at the market price or place a limit order. The latter is valid until cancelled by the trader; to this end we introduce a threshold in time after which the probability of the order to be removed is strongly increased. There is essentially no source of randomness and all the traders share a common strategy, what we call trading rectangle. Since there are no fundamentalist rules, it is not so important to identify the right moment to enter in the market. Much more effort is required to decide when to sell. The model is able to reproduce many of the complex phenomena manifested in real stock markets, including the positive correlation between bid/ask spreads and volatility.

Stability of coefficients in the Kronecker product of a hook and a rectangle

NASA Astrophysics Data System (ADS)

Ballantine, Cristina M.; Hallahan, William T.

2016-02-01

We use recent work of Jonah Blasiak (2012 arXiv:1209.2018) to prove a stability result for the coefficients in the Kronecker product of two Schur functions: one indexed by a hook partition and one indexed by a rectangle partition. We also give nearly sharp bounds for the size of the partition starting with which the Kronecker coefficients are stable. Moreover, we show that once the bound is reached, no new Schur functions appear in the decomposition of Kronecker product. We call this property superstability. Thus, one can recover the Schur decomposition of the Kronecker product from the smallest case in which the superstability holds. The bound for superstability is sharp. Our study of this particular case of the Kronecker product is motivated by its usefulness for the understanding of the quantum Hall effect (Scharf T et al 1994 J. Phys. A: Math. Gen 27 4211-9).

Phase transitions in a system of hard rectangles on the square lattice

NASA Astrophysics Data System (ADS)

Kundu, Joyjit; Rajesh, R.

2014-05-01

The phase diagram of a system of monodispersed hard rectangles of size m ×mk on a square lattice is numerically determined for m =2,3 and aspect ratio k =1,2,...,7. We show the existence of a disordered phase, a nematic phase with orientational order, a columnar phase with orientational and partial translational order, and a solidlike phase with sublattice order, but no orientational order. The asymptotic behavior of the phase boundaries for large k is determined using a combination of entropic arguments and a Bethe approximation. This allows us to generalize the phase diagram to larger m and k, showing that for k ≥7, the system undergoes three entropy-driven phase transitions with increasing density. The nature of the different phase transitions is established and the critical exponents for the continuous transitions are determined using finite size scaling.

Ultrathin inorganic molecular nanowire based on polyoxometalates

PubMed Central

Zhang, Zhenxin; Murayama, Toru; Sadakane, Masahiro; Ariga, Hiroko; Yasuda, Nobuhiro; Sakaguchi, Norihito; Asakura, Kiyotaka; Ueda, Wataru

2015-01-01

The development of metal oxide-based molecular wires is important for fundamental research and potential practical applications. However, examples of these materials are rare. Here we report an all-inorganic transition metal oxide molecular wire prepared by disassembly of larger crystals. The wires are comprised of molybdenum(VI) with either tellurium(IV) or selenium(IV): {(NH4)2[XMo6O21]}n (X=tellurium(IV) or selenium(IV)). The ultrathin molecular nanowires with widths of 1.2 nm grow to micrometre-scale crystals and are characterized by single-crystal X-ray analysis, Rietveld analysis, scanning electron microscopy, X-ray photoelectron spectroscopy, ultraviolet–visible spectroscopy, thermal analysis and elemental analysis. The crystals can be disassembled into individual molecular wires through cation exchange and subsequent ultrasound treatment, as visualized by atomic force microscopy and transmission electron microscopy. The ultrathin molecular wire-based material exhibits high activity as an acid catalyst, and the band gap of the molecular wire-based crystal is tunable by heat treatment. PMID:26139011

Smart Materials Based on DNA Aptamers: Taking Aptasensing to the Next Level

PubMed Central

Mastronardi, Emily; Foster, Amanda; Zhang, Xueru; DeRosa, Maria C.

2014-01-01

“Smart” materials are an emerging category of multifunctional materials with physical or chemical properties that can be controllably altered in response to an external stimulus. By combining the standard properties of the advanced material with the unique ability to recognize and adapt in response to a change in their environment, these materials are finding applications in areas such as sensing and drug delivery. While the majority of these materials are responsive to physical or chemical changes, a particularly exciting area of research seeks to develop smart materials that are sensitive to specific molecular or biomolecular stimuli. These systems require the integration of a molecular recognition probe specific to the target molecule of interest. The ease of synthesis and labeling, low cost, and stability of DNA aptamers make them uniquely suited to effectively serve as molecular recognition probes in novel smart material systems. This review will highlight current work in the area of aptamer-based smart materials and prospects for their future applications. PMID:24553083

Strategic placement of stereogenic centers in molecular materials for second harmonic generation.

PubMed

Gangopadhyay, P; Rao, D Narayana; Agranat, Israel; Radhakrishnan, T P

2002-01-01

Basic aspects of the nonlinear optical phenomenon of second harmonic generation (SHG) and the assembly of molecular materials for SHG are reviewed. Extensive use of chirality as a convenient tool to generate noncentrosymmetricity in molecular lattices, an essential requirement for the development of quadratic nonlinear optical materials, is noted. An overview of our investigations of chiral diaminodicyanoquinodimethanes is presented, which provides insight into a systematic approach to the effective deployment of chirality to achieve optimal molecular orientations for enhanced solid state SHG. Extension of these ideas to the realization of strong SHG in materials based on helical superstructures is outlined.

Hyper-reactive human ventral tegmental area and aberrant mesocorticolimbic connectivity in overgeneralization of fear in generalized anxiety disorder.

PubMed

Cha, Jiook; Carlson, Joshua M; Dedora, Daniel J; Greenberg, Tsafrir; Proudfit, Greg H; Mujica-Parodi, Lilianne R

2014-04-23

The ventral tegmental area (VTA) has been primarily implicated in reward-motivated behavior. Recently, aberrant dopaminergic VTA signaling has also been implicated in anxiety-like behaviors in animal models. These findings, however, have yet to be extended to anxiety in humans. Here we hypothesized that clinical anxiety is linked to dysfunction of the mesocorticolimbic circuit during threat processing in humans; specifically, excessive or dysregulated activity of the mesocorticolimbic aversion circuit may be etiologically related to errors in distinguishing cues of threat versus safety, also known as "overgeneralization of fear." To test this, we recruited 32 females with generalized anxiety disorder and 25 age-matched healthy control females. We measured brain activity using fMRI while participants underwent a fear generalization task consisting of pseudo-randomly presented rectangles with systematically varying widths. A mid-sized rectangle served as a conditioned stimulus (CS; 50% electric shock probability) and rectangles with widths of CS ±20%, ±40%, and ±60% served as generalization stimuli (GS; never paired with electric shock). Healthy controls showed VTA reactivity proportional to the cue's perceptual similarity to CS (threat). In contrast, patients with generalized anxiety disorder showed heightened and less discriminating VTA reactivity to GS, a feature that was positively correlated with trait anxiety, as well as increased mesocortical and decreased mesohippocampal coupling. Our results suggest that the human VTA and the mesocorticolimbic system play a crucial role in threat processing, and that abnormalities in this system are implicated in maladaptive threat processing in clinical anxiety.

Recent advances on polyoxometalate-based molecular and composite materials.

PubMed

Song, Yu-Fei; Tsunashima, Ryo

2012-11-21

Polyoxometalates (POMs) are a subset of metal oxides with unique physical and chemical properties, which can be reliably modified through various techniques and methods to develop sophisticated materials and devices. In parallel with the large number of new crystal structures reported in the literature, the application of these POMs towards multifunctional materials has attracted considerable attention. This critical review summarizes recent progress on POM-based molecular and composite materials, and particularly highlights the emerging areas that are closely related to surface, electronic, energy, environment, life science, etc. (171 references).

Optoelectronic functional materials based on alkylated-π molecules: self-assembled architectures and nonassembled liquids.

PubMed

Li, Hongguang; Choi, Jiyoung; Nakanishi, Takashi

2013-05-07

The engineering of single molecules into higher-order hierarchical assemblies is a current research focus in molecular materials chemistry. Molecules containing π-conjugated units are an important class of building blocks because their self-assembly is not only of fundamental interest, but also the key to fabricating functional systems for organic electronic and photovoltaic applications. Functionalizing the π-cores with "alkyl chains" is a common strategy in the molecular design that can give the system desirable properties, such as good solubility in organic solvents for solution processing. Moreover, the alkylated-π system can regulate the self-assembly behavior by fine-tuning the intermolecular forces. The optimally assembled structures can then exhibit advanced functions. However, while some general rules have been revealed, a comprehensive understanding of the function played by the attached alkyl chains is still lacking, and current methodology is system-specific in many cases. Better clarification of this issue requires contributions from carefully designed libraries of alkylated-π molecular systems in both self-assembly and nonassembly materialization strategies. Here, based on recent efforts toward this goal, we show the power of the alkyl chains in controlling the self-assembly of soft molecular materials and their resulting optoelectronic properties. The design of alkylated-C60 is selected from our recent research achievements, as the most attractive example of such alkylated-π systems. Some other closely related systems composed of alkyl chains and π-units are also reviewed to indicate the universality of the methodology. Finally, as a contrast to the self-assembled molecular materials, nonassembled, solvent-free, novel functional liquid materials are discussed. In doing so, a new journey toward the ultimate organic "soft" materials is introduced, based on alkylated-π molecular design.

Calculated and scale model experimentally measured scattering from metallic structures in Instrument Landing System

DOT National Transportation Integrated Search

1974-03-01

Comparison is made of theoretically calculated and experimentally determined scattering from metallic tilted rectangles and vertical cylindrical scatterers. The scattering was experimentally measured in a scale model range at the Watertown Arsenal, W...

Wireless sensor

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

Lamberti, Vincent E.; Howell, JR, Layton N.; Mee, David K.

Disclosed is a sensor for detecting a target material. The sensor includes a ferromagnetic metal and a molecular recognition reagent coupled to the ferromagnetic metal. The molecular recognition reagent is operable to expand upon exposure to vapor or liquid from the target material such that the molecular recognition reagent changes a tensile stress upon the ferromagnetic metal. The target material is detected based on changes in the magnetic switching characteristics of the ferromagnetic metal caused by the changes in the tensile stress.

An analytical solution for two-dimensional vacuum preloading combined with electro-osmosis consolidation using EKG electrodes

PubMed Central

Qiu, Chenchen; Li, Yande

2017-01-01

China is a country with vast territory, but economic development and population growth have reduced the usable land resources in recent years. Therefore, reclamation by pumping and filling is carried out in eastern coastal regions of China in order to meet the needs of urbanization. However, large areas of reclaimed land need rapid drainage consolidation treatment. Based on past researches on how to improve the treatment efficiency of soft clay using vacuum preloading combined with electro-osmosis, a two-dimensional drainage plane model was proposed according to the Terzaghi and Esrig consolidation theory. However, the analytical solution using two-dimensional plane model was never involved. Current analytical solutions can’t have a thorough theoretical analysis of practical engineering and give relevant guidance. Considering the smearing effect and the rectangle arrangement pattern, an analytical solution is derived to describe the behavior of pore-water and the consolidation process by using EKG (electro-kinetic geo synthetics) materials. The functions of EKG materials include drainage, electric conduction and corrosion resistance. Comparison with test results is carried out to verify the analytical solution. It is found that the measured value is larger than the applied vacuum degree because of the stacking effect of the vacuum preloading and electro-osmosis. The trends of the mean measured value and the mean analytical value processes are comparable. Therefore, the consolidation model can accurately assess the change in pore-water pressure and the consolidation process during vacuum preloading combined with electro-osmosis. PMID:28771496

Ni-O4 species anchored on N-doped graphene-based materials as molecular entities and electrocatalytic performances for oxygen reduction reaction

NASA Astrophysics Data System (ADS)

Jang, Dawoon; Lee, Seungjun; Shin, Yunseok; Ohn, Saerom; Park, Sunghee; Lim, Donggyu; Park, Gilsoo; Park, Sungjin

2017-12-01

The generation of molecular active species on the surface of nano-materials has become promising routes to produce efficient electrocatalysts. Development of cost-effective catalysts with high performances for oxygen reduction reaction (ORR) is an important challenge for fuel cell and metal-air battery applications. In this work, we report a novel hybrid produced by room-temperature solution processes using Ni-based organometallic molecules and N-doped graphene-based materials. Chemical and structural characterizations reveal that Ni-containing species are well-dispersed on the surface of graphene network as molecular entity. The hybrid shows excellent electrocatalytic performances for ORR in basic medium with an onset potential of 0.87 V (vs. RHE), superior durability and good methanol tolerance.

[Design of an microwave applicator using for tumor in superficial layer].

PubMed

Sun, Bing; Lu, Xiaofeng; Cao, Yi

2010-05-01

A 2.45 GHz microstrip applicator using single rectangle sheet structure is presented. Based on the radiant principle of microstrip antenna, the applicator's parameter is designed and the simulating model is set and optimized in HFSS. Measured by network analyzer, the technical target of this applicator is complied with design demand. During irradiation experiment, based on 30 W power, 30 mm radiation distance and 15 min duration experiment condition, the thermal field distribution map of phantom is obtained from the far-infrared image instrument. The 3D map shows that the region of thermal field centre has small radius and deep heat penetration. The microwave energy from this applicator can reach the tumor in superficial layer without heat injuring normal tissue around it.

Self assembly of rectangular shapes on concentration programming and probabilistic tile assembly models

PubMed Central

Rajasekaran, Sanguthevar

2013-01-01

Efficient tile sets for self assembling rectilinear shapes is of critical importance in algorithmic self assembly. A lower bound on the tile complexity of any deterministic self assembly system for an n × n square is Ω(log(n)log(log(n))) (inferred from the Kolmogrov complexity). Deterministic self assembly systems with an optimal tile complexity have been designed for squares and related shapes in the past. However designing Θ(log(n)log(log(n))) unique tiles specific to a shape is still an intensive task in the laboratory. On the other hand copies of a tile can be made rapidly using PCR (polymerase chain reaction) experiments. This led to the study of self assembly on tile concentration programming models. We present two major results in this paper on the concentration programming model. First we show how to self assemble rectangles with a fixed aspect ratio (α:β), with high probability, using Θ(α + β) tiles. This result is much stronger than the existing results by Kao et al. (Randomized self-assembly for approximate shapes, LNCS, vol 5125. Springer, Heidelberg, 2008) and Doty (Randomized self-assembly for exact shapes. In: proceedings of the 50th annual IEEE symposium on foundations of computer science (FOCS), IEEE, Atlanta. pp 85–94, 2009)—which can only self assembly squares and rely on tiles which perform binary arithmetic. On the other hand, our result is based on a technique called staircase sampling. This technique eliminates the need for sub-tiles which perform binary arithmetic, reduces the constant in the asymptotic bound, and eliminates the need for approximate frames (Kao et al. Randomized self-assembly for approximate shapes, LNCS, vol 5125. Springer, Heidelberg, 2008). Our second result applies staircase sampling on the equimolar concentration programming model (The tile complexity of linear assemblies. In: proceedings of the 36th international colloquium automata, languages and programming: Part I on ICALP ’09, Springer-Verlag, pp 235–253, 2009), to self assemble rectangles (of fixed aspect ratio) with high probability. The tile complexity of our algorithm is Θ(log(n)) and is optimal on the probabilistic tile assembly model (PTAM)—n being an upper bound on the dimensions of a rectangle. PMID:24311993

Periodic Orbits Contribution to the 2-Point Correlation Form Factor for Pseudo-Integrable Systems

NASA Astrophysics Data System (ADS)

Bogomolny, E.; Giraud, O.; Schmit, C.

Using heuristic arguments based on the trace formulas we relate the 2-point correlation form factor, K2(τ), at small values of τ with sums over classical periodic orbits for typical examples of pseudo-integrable systems. The later sums have been explicitly calculated for the following models: (i) plane billiards in the form of right triangles with one angle π/n and (ii) rectangular billiards with the Aharonov-Bohm flux line. In the first model, using the properties of the Veech structure, it is shown that K2(0)=(n+ɛ(n))/(3(n-2)), where ɛ(n)= 0 for odd n, ɛ(n)= 2 for even n not divisible by 3, and ɛ(n)=6 for even n divisible by 3. For completeness we also recall informally the main features of the Veech construction. In the second model the answer depends on arithmetical properties of ratios of flux line coordinates to the corresponding sides of the rectangle. When these ratios are non-commensurable irrational numbers, K2(0)=1-3 , where is the fractional part of the flux through the rectangle when and it is symmetric with respect to the line when . The comparison of these results with numerical calculations of the form factor is discussed in detail. The above values of K2(0) differ from all known examples of spectral statistics, thus confirming analytically the peculiarities of statistical properties of the energy levels in pseudo-integrable systems.

Validation of the FEA of a deep drawing process with additional force transmission

NASA Astrophysics Data System (ADS)

Behrens, B.-A.; Bouguecha, A.; Bonk, C.; Grbic, N.; Vucetic, M.

2017-10-01

In order to meet requirements by automotive industry like decreasing the CO2 emissions, which reflects in reducing vehicles mass in the car body, the chassis and the powertrain, the continuous innovation and further development of existing production processes are required. In sheet metal forming processes the process limits and components characteristics are defined through the process specific loads. While exceeding the load limits, a failure in the material occurs, which can be avoided by additional force transmission activated in the deep drawing process before the process limit is achieved. This contribution deals with experimental investigations of a forming process with additional force transmission regarding the extension of the process limits. Based on FEA a tool system is designed and developed by IFUM. For this purpose, the steel material HCT600 is analyzed numerically. Within the experimental investigations, the deep drawing processes, with and without the additional force transmission are carried out. Here, a comparison of the produced rectangle cups is done. Subsequently, the identical deep drawing processes are investigated numerically. Thereby, the values of the punch reaction force and displacement are estimated and compared with experimental results. Thus, the validation of material model is successfully carried out on process scale. For further quantitative verification of the FEA results the experimental determined geometry of the rectangular cup is measured optically with ATOS system of the company GOM mbH and digitally compared with external software Geomagic®QualifyTM. The goal of this paper is the verification of the transferability of the FEA model for a conventional deep drawing process to a deep drawing process with additional force transmission with a counter punch.

Molecular biomimetics: GEPI-based biological routes to technology.

PubMed

Tamerler, Candan; Khatayevich, Dmitriy; Gungormus, Mustafa; Kacar, Turgay; Oren, E Emre; Hnilova, Marketa; Sarikaya, Mehmet

2010-01-01

In nature, the viability of biological systems is sustained via specific interactions among the tens of thousands of proteins, the major building blocks of organisms from the simplest single-celled to the most complex multicellular species. Biomolecule-material interaction is accomplished with molecular specificity and efficiency leading to the formation of controlled structures and functions at all scales of dimensional hierarchy. Through evolution, Mother Nature developed molecular recognition by successive cycles of mutation and selection. Molecular specificity of probe-target interactions, e.g., ligand-receptor, antigen-antibody, is always based on specific peptide molecular recognition. Using biology as a guide, we can now understand, engineer, and control peptide-material interactions and exploit them as a new design tool for novel materials and systems. We adapted the protocols of combinatorially designed peptide libraries, via both cell surface or phage display methods; using these we select short peptides with specificity to a variety of practical materials. These genetically engineered peptides for inorganics (GEPI) are then studied experimentally to establish their binding kinetics and surface stability. The bound peptide structure and conformations are interrogated both experimentally and via modeling, and self-assembly characteristics are tested via atomic force microscopy. We further engineer the peptide binding and assembly characteristics using a computational biomimetics approach where bioinformatics based peptide-sequence similarity analysis is developed to design higher generation function-specific peptides. The molecular biomimetic approach opens up new avenues for the design and utilization of multifunctional molecular systems in a wide-range of applications from tissue engineering, disease diagnostics, and therapeutics to various areas of nanotechnology where integration is required among inorganic, organic and biological materials. Here, we describe lessons from biology with examples of protein-mediated functional biological materials, explain how novel peptides can be designed with specific affinity to inorganic solids using evolutionary engineering approaches, give examples of their potential utilizations in technology and medicine, and, finally, provide a summary of challenges and future prospects. (c) 2010 Wiley Periodicals, Inc.

On production and asymmetric focusing of flat electron beams using rectangular capillary discharge plasmas

DOE PAGES

Bagdasarov, G. A.; Bobrova, N. A.; Boldarev, A. S.; ...

2017-12-27

A method for the asymmetric focusing of electron bunches, based on the active plasma lensing technique is proposed. Our method takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus the ultrarelativistic electrons. The plasma and magnetic field parameters inside the capillary discharge are described theoretically and modeled with dissipative magnetohydrodynamic computer simulations enabling analysis of the capillaries of rectangle cross-sections. We could use large aspect ratio rectangular capillaries to transport electron beams with high emittance asymmetries, as well as assist in forming spatially flat electron bunches for final focusing before the interaction point.

PSQP: Puzzle Solving by Quadratic Programming.

PubMed

Andalo, Fernanda A; Taubin, Gabriel; Goldenstein, Siome

2017-02-01

In this article we present the first effective method based on global optimization for the reconstruction of image puzzles comprising rectangle pieces-Puzzle Solving by Quadratic Programming (PSQP). The proposed novel mathematical formulation reduces the problem to the maximization of a constrained quadratic function, which is solved via a gradient ascent approach. The proposed method is deterministic and can deal with arbitrary identical rectangular pieces. We provide experimental results showing its effectiveness when compared to state-of-the-art approaches. Although the method was developed to solve image puzzles, we also show how to apply it to the reconstruction of simulated strip-shredded documents, broadening its applicability.

On production and asymmetric focusing of flat electron beams using rectangular capillary discharge plasmas

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

Bagdasarov, G. A.; Bobrova, N. A.; Boldarev, A. S.

A method for the asymmetric focusing of electron bunches, based on the active plasma lensing technique is proposed. Our method takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus the ultrarelativistic electrons. The plasma and magnetic field parameters inside the capillary discharge are described theoretically and modeled with dissipative magnetohydrodynamic computer simulations enabling analysis of the capillaries of rectangle cross-sections. We could use large aspect ratio rectangular capillaries to transport electron beams with high emittance asymmetries, as well as assist in forming spatially flat electron bunches for final focusing before the interaction point.

Modeling spatially localized photonic nanojets from phase diffraction gratings

NASA Astrophysics Data System (ADS)

Geints, Yu. E.; Zemlyanov, A. A.

2016-04-01

We investigated numerically the specific spatially localized intense optical structure, a photonic nanojet (PNJ), formed in the near-field scattering of optical radiation at phase diffraction gratings. The finite-difference time-domain technique was employed to study the PNJ key parameters (length, width, focal distance, and intensity) produced by diffraction gratings with the saw-tooth, rectangle, and hemispheric line profiles. Our analysis showed that each type of diffraction gratings produces a photonic jet with unique characteristics. Based on the numerical calculations, we demonstrate that the PNJ could be manipulated in a wide range through the variation of period, duty cycle, and shape of diffraction grating rulings.

On production and asymmetric focusing of flat electron beams using rectangular capillary discharge plasmas

NASA Astrophysics Data System (ADS)

Bagdasarov, G. A.; Bobrova, N. A.; Boldarev, A. S.; Olkhovskaya, O. G.; Sasorov, P. V.; Gasilov, V. A.; Barber, S. K.; Bulanov, S. S.; Gonsalves, A. J.; Schroeder, C. B.; van Tilborg, J.; Esarey, E.; Leemans, W. P.; Levato, T.; Margarone, D.; Korn, G.; Kando, M.; Bulanov, S. V.

2017-12-01

A method for the asymmetric focusing of electron bunches, based on the active plasma lensing technique, is proposed. This method takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus on the ultrarelativistic electrons. The plasma and magnetic field parameters inside the capillary discharge are described theoretically and modeled with dissipative magnetohydrodynamic computer simulations enabling analysis of the capillaries of rectangle cross-sections. Large aspect ratio rectangular capillaries might be used to transport electron beams with high emittance asymmetries, as well as assist in forming spatially flat electron bunches for final focusing before the interaction point.

Development of a Catalytic Combustor for Aircraft Gas Turbine Engines.

DTIC Science & Technology

1976-09-22

80 VI. DESIGN OF 7.6 CI CIANETE COMBUSTORS . . . . . . . . . . . 86 1. Design and Fabrication of CombusLors for Large Scale T est in...obtained for this program included round holes of different diameters, squares, rectangles, triangles, and other more complex hollow configurations

Characterization and compression of dissipative-soliton-resonance pulses in fiber lasers

PubMed Central

Li, Daojing; Li, Lei; Zhou, Junyu; Zhao, Luming; Tang, Dingyuan; Shen, Deyuan

2016-01-01

We report numerical and experimental studies of dissipative-soliton-resonance (DSR) in a fiber laser with a nonlinear optical loop mirror. The DSR pulse presents temporally a flat-top profile and a clamped peak power. Its spectrum has a rectangle profile with characteristic steep edges. It shows a unique behavior as pulse energy increases: The rectangle part of the spectrum is unchanged while the newly emerging spectrum sits on the center part and forms a peak. Experimental observations match well with the numerical results. Moreover, the detailed evolution of the DSR pulse compression is both numerically and experimentally demonstrated for the first time. An experimentally obtained DSR pulse of 63 ps duration is compressed down to 760 fs, with low-intensity pedestals using a grating pair. Before being compressed to its narrowest width, the pulse firstly evolves into a cat-ear profile, and the corresponding autocorrelation trace shows a crown shape, which distinguishes itself from properties of other solitons formed in fiber lasers. PMID:27025189

An analytical method for the inverse Cauchy problem of Lame equation in a rectangle

NASA Astrophysics Data System (ADS)

Grigor’ev, Yu

2018-04-01

In this paper, we present an analytical computational method for the inverse Cauchy problem of Lame equation in the elasticity theory. A rectangular domain is frequently used in engineering structures and we only consider the analytical solution in a two-dimensional rectangle, wherein a missing boundary condition is recovered from the full measurement of stresses and displacements on an accessible boundary. The essence of the method consists in solving three independent Cauchy problems for the Laplace and Poisson equations. For each of them, the Fourier series is used to formulate a first-kind Fredholm integral equation for the unknown function of data. Then, we use a Lavrentiev regularization method, and the termwise separable property of kernel function allows us to obtain a closed-form regularized solution. As a result, for the displacement components, we obtain solutions in the form of a sum of series with three regularization parameters. The uniform convergence and error estimation of the regularized solutions are proved.

Development of new force sensor using super-multilayer alternating laminated film comprising piezoelectric poly(l-lactic acid) and poly(d-lactic acid) films in the shape of a rectangle with round corners

NASA Astrophysics Data System (ADS)

Tajitsu, Yoshiro; Adachi, Yu; Nakatsuji, Takahiro; Tamura, Masataka; Sakamoto, Kousei; Tone, Takaaki; Imoto, Kenji; Kato, Atsuko; Yoshida, Testuo

2017-10-01

A new super-multilayer alternating laminated film in the shape of a rectangle with round corners has been developed. The super-multilayer film, which comprised piezoelectric poly(l-lactic acid) (PLLA) and poly(d-lactic acid) (PDLA) films, was wound with the number of turns on the order of from 100 to 1000 to form piezoelectric rolls. These piezoelectric rolls could generate an induced voltage of more than 95% of the initial voltage for over 10 s when a constant load was applied. The desired duration and magnitude of the piezoelectric response voltage were realized by adjusting the number of turns of the piezoelectric rolls. Similarly to many other conventional piezoelectrics, the piezoelectric rolls enable instantaneous load-dependent voltage generation and attenuation. The piezoelectric rolls are also lighter than conventional piezoelectric ceramics and can be used as a novel pressure sensor.

Where Kepler Sees

NASA Image and Video Library

2009-04-16

This star chart illustrates the large patch of sky that NASA Kepler mission will stare at for the duration of its three-and-a-half-year lifetime. The planet hunter's full field of view occupies 100 square degrees of our Milky Way galaxy, in the constellations Cygnus and Lyra. Kepler's focal plane, or the area where starlight is focused, is depicted on the star chart as a series of 42 vertical and horizontal rectangles. These rectangles represent the 95-megapixel camera's 42 charge-coupled devices, or CCDs. Scientists selected the orientation of the focal plane's field of view to avoid the region's brightest stars, which are shown as the largest black dots. Some of these bright stars can be seen falling in between the CCD modules, in areas that are not imaged. This was done so that the brightest stars will not saturate large portions of the detectors. Saturation causes signals from the bright stars to spill, or "bloom," into nearby planet-hunting territory. http://photojournal.jpl.nasa.gov/catalog/PIA11983

Linear feature detection algorithm for astronomical surveys - I. Algorithm description

NASA Astrophysics Data System (ADS)

Bektešević, Dino; Vinković, Dejan

2017-11-01

Computer vision algorithms are powerful tools in astronomical image analyses, especially when automation of object detection and extraction is required. Modern object detection algorithms in astronomy are oriented towards detection of stars and galaxies, ignoring completely the detection of existing linear features. With the emergence of wide-field sky surveys, linear features attract scientific interest as possible trails of fast flybys of near-Earth asteroids and meteors. In this work, we describe a new linear feature detection algorithm designed specifically for implementation in big data astronomy. The algorithm combines a series of algorithmic steps that first remove other objects (stars and galaxies) from the image and then enhance the line to enable more efficient line detection with the Hough algorithm. The rate of false positives is greatly reduced thanks to a step that replaces possible line segments with rectangles and then compares lines fitted to the rectangles with the lines obtained directly from the image. The speed of the algorithm and its applicability in astronomical surveys are also discussed.

Improved actuation strain of PDMS-based DEA materials chemically modified with softening agents

NASA Astrophysics Data System (ADS)

Biedermann, Miriam; Blümke, Martin; Wegener, Michael; Krüger, Hartmut

2015-04-01

Dielectric elastomer actuators (DEAs) are smart materials that gained much in interest particularly in recent years. One active field of research is the improvement of their properties by modification of their structural framework. The object of this work is to improve the actuation properties of polydimethylsiloxane (PDMS)-based DEAs by covalent incorporation of mono-vinyl-terminated low-molecular PDMS chains into the PDMS network. These low-molecular units act as a kind of softener within the PDMS network. The loose chain ends interfere with the network formation and lower the network's density. PDMS films with up to 50wt% of low-molecular PDMS additives were manufactured and the chemical, mechanical, electrical, and electromechanical properties of these novel materials were investigated.

Molecular design toward highly efficient photovoltaic polymers based on two-dimensional conjugated benzodithiophene.

PubMed

Ye, Long; Zhang, Shaoqing; Huo, Lijun; Zhang, Maojie; Hou, Jianhui

2014-05-20

As researchers continue to develop new organic materials for solar cells, benzo[1,2-b:4,5-b']dithiophene (BDT)-based polymers have come to the fore. To improve the photovoltaic properties of BDT-based polymers, researchers have developed and applied various strategies leading to the successful molecular design of highly efficient photovoltaic polymers. Novel polymer materials composed of two-dimensional conjugated BDT (2D-conjugated BDT) have boosted the power conversion efficiency of polymer solar cells (PSCs) to levels that exceed 9%. In this Account, we summarize recent progress related to the design and synthesis of 2D-conjugated BDT-based polymers and discuss their applications in highly efficient photovoltaic devices. We introduce the basic considerations for the construction of 2D-conjugated BDT-based polymers and systematic molecular design guidelines. For example, simply modifying an alkoxyl-substituted BDT to form an alkylthienyl-substituted BDT can improve the polymer hole mobilities substantially with little effect on their molecular energy level. Secondly, the addition of a variety of chemical moieties to the polymer can produce a 2D-conjugated BDT unit with more functions. For example, the introduction of a conjugated side chain with electron deficient groups (such as para-alkyl-phenyl, meta-alkoxyl-phenyl, and 2-alkyl-3-fluoro-thienyl) allowed us to modulate the molecular energy levels of 2D-conjugated BDT-based polymers. Through the rational design of BDT analogues such as dithienobenzodithiophene (DTBDT) or the insertion of larger π bridges, we can tune the backbone conformations of these polymers and modulate their photovoltaic properties. We also discuss the influence of 2D-conjugated BDT on polymer morphology and the blends of these polymers with phenyl-C61 (or C71)-butyric acid methyl ester (PCBM). Finally, we summarize the various applications of the 2D-conjugated BDT-based polymers in highly efficient PSC devices. Overall, this Account correlates the molecular structures of the 2D-conjugated BDT-based polymers with their photovoltaic properties. As a result, this Account can guide the molecular design of organic photovoltaic materials and the development of organic materials for other types of optoelectronic devices.

Raw materials for wood-polymer composites.

Treesearch

Craig Clemons

2008-01-01

To understand wood-plastic composites (WPCs) adequately, we must first understand the two main constituents. Though both are polymer based, they are very different in origin, structure, and performance. Polymers are high molecular weight materials whose performance is largely determined by its molecular architecture. In WPCs, a polymer matrix forms the continuous phase...

LAMMPS integrated materials engine (LIME) for efficient automation of particle-based simulations: application to equation of state generation

NASA Astrophysics Data System (ADS)

Barnes, Brian C.; Leiter, Kenneth W.; Becker, Richard; Knap, Jaroslaw; Brennan, John K.

2017-07-01

We describe the development, accuracy, and efficiency of an automation package for molecular simulation, the large-scale atomic/molecular massively parallel simulator (LAMMPS) integrated materials engine (LIME). Heuristics and algorithms employed for equation of state (EOS) calculation using a particle-based model of a molecular crystal, hexahydro-1,3,5-trinitro-s-triazine (RDX), are described in detail. The simulation method for the particle-based model is energy-conserving dissipative particle dynamics, but the techniques used in LIME are generally applicable to molecular dynamics simulations with a variety of particle-based models. The newly created tool set is tested through use of its EOS data in plate impact and Taylor anvil impact continuum simulations of solid RDX. The coarse-grain model results from LIME provide an approach to bridge the scales from atomistic simulations to continuum simulations.

New photosensitive systems for volume phase holography

NASA Astrophysics Data System (ADS)

Bianco, Andrea; Colella, Letizia; Galli, Paola; Zanutta, Alessio; Bertarelli, Chiara

2017-05-01

Volume phase holographic elements are becoming attractive thanks to the large efficiency and good optical quality. They are based on photosensitive materials where a modulation of the refractive index is induced. In this paper, we highlight the strategies to obtain a change in the refractive index in a dielectric material, namely a change in the material density and/or in the molecular polarizability. Moreover, we show the results achieved for materials that undergo the photo-Fries reaction as function of the molecular structure and the illumination conditions. We also report the results on a system based on the diazo Meldrum's acid where volatile molecules are produced upon light exposure.

Extinction-Induced Variability in Human Behavior

ERIC Educational Resources Information Center

Kinloch, Jennifer M.; Foster, T. Mary; McEwan, James S. A.

2009-01-01

Participants earned points by pressing a computer space bar (Experiment 1) or forming rectangles on the screen with the mouse (Experiment 2) under differential-reinforcement-of-low-rate schedules, followed by extinction. Variability in interresponse time (the contingent dimension) increased during extinction, as for Morgan and Lee (1996);…

Favourite Gems

ERIC Educational Resources Information Center

Barnes, John

2011-01-01

Mathematics is full of surprises and beauty. In this article, the author discusses three favourite topics that he finds both amazing and amusing: (1) the problem of the possibility of subdividing a rectangle into a number of different squares; (2) the arrangement formed when several soap bubbles meet; and (3) circles and spheres.

Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics.

PubMed

Heitzer, Henry M; Marks, Tobin J; Ratner, Mark A

2016-09-20

The dielectric response of a material is central to numerous processes spanning the fields of chemistry, materials science, biology, and physics. Despite this broad importance across these disciplines, describing the dielectric environment of a molecular system at the level of first-principles theory and computation remains a great challenge and is of importance to understand the behavior of existing systems as well as to guide the design and synthetic realization of new ones. Furthermore, with recent advances in molecular electronics, nanotechnology, and molecular biology, it has become necessary to predict the dielectric properties of molecular systems that are often difficult or impossible to measure experimentally. In these scenarios, it is would be highly desirable to be able to determine dielectric response through efficient, accurate, and chemically informative calculations. A good example of where theoretical modeling of dielectric response would be valuable is in the development of high-capacitance organic gate dielectrics for unconventional electronics such as those that could be fabricated by high-throughput printing techniques. Gate dielectrics are fundamental components of all transistor-based logic circuitry, and the combination high dielectric constant and nanoscopic thickness (i.e., high capacitance) is essential to achieving high switching speeds and low power consumption. Molecule-based dielectrics offer the promise of cheap, flexible, and mass producible electronics when used in conjunction with unconventional organic or inorganic semiconducting materials to fabricate organic field effect transistors (OFETs). The molecular dielectrics developed to date typically have limited dielectric response, which results in low capacitances, translating into poor performance of the resulting OFETs. Furthermore, the development of better performing dielectric materials has been hindered by the current highly empirical and labor-intensive pace of synthetic progress. An accurate and efficient theoretical computational approach could drastically decrease this time by screening potential dielectric materials and providing reliable design rules for future molecular dielectrics. Until recently, accurate calculation of dielectric responses in molecular materials was difficult and highly approximate. Most previous modeling efforts relied on classical formalisms to relate molecular polarizability to macroscopic dielectric properties. These efforts often vastly overestimated polarizability in the subject materials and ignored crucial material properties that can affect dielectric response. Recent advances in first-principles calculations via density functional theory (DFT) with periodic boundary conditions have allowed accurate computation of dielectric properties in molecular materials. In this Account, we outline the methodology used to calculate dielectric properties of molecular materials. We demonstrate the validity of this approach on model systems, capturing the frequency dependence of the dielectric response and achieving quantitative accuracy compared with experiment. This method is then used as a guide to new high-capacitance molecular dielectrics by determining what materials and chemical properties are important in maximizing dielectric response in self-assembled monolayers (SAMs). It will be seen that this technique is a powerful tool for understanding and designing new molecular dielectric systems, the properties of which are fundamental to many scientific areas.

Wireless sensor for detecting explosive material

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

Lamberti, Vincent E; Howell, Jr., Layton N; Mee, David K

Disclosed is a sensor for detecting explosive devices. The sensor includes a ferromagnetic metal and a molecular recognition reagent coupled to the ferromagnetic metal. The molecular recognition reagent is operable to expand upon absorption of vapor from an explosive material such that the molecular recognition reagent changes a tensile stress upon the ferromagnetic metal. The explosive device is detected based on changes in the magnetic switching characteristics of the ferromagnetic metal caused by the tensile stress.

The golden ratio and Loshu-Fibonacci Diagram: novel research view on relationship of Chinese medicine and modern biology.

PubMed

Chen, Zhao-xue; Huang, Yun-kun; Sun, Ying

2014-02-01

Associating geometric arrangements of 9 Loshu numbers modulo 5, investigating property of golden rectangles and characteristics of Fibonacci sequence modulo 10 as well as the two subsequences of its modular sequence by modulo 5, the Loshu-Fibonacci Diagram is created based on strict logical deduction in this paper, which can disclose inherent relationship among Taiji sign, Loshu and Fibonacci sequence modulo 10 perfectly and unite such key ideas of holism, symmetry, holographic thought and yin-yang balance pursuit from Chinese medicine as a whole. Based on further analysis and reasoning, the authors discover that taking the golden ratio and Loshu-Fibonacci Diagram as a link, there is profound and universal association existing between researches of Chinese medicine and modern biology.

The Harvard Clean Energy Project: High-throughput screening of organic photovoltaic materials using cheminformatics, machine learning, and pattern recognition

NASA Astrophysics Data System (ADS)

Olivares-Amaya, Roberto; Hachmann, Johannes; Amador-Bedolla, Carlos; Daly, Aidan; Jinich, Adrian; Atahan-Evrenk, Sule; Boixo, Sergio; Aspuru-Guzik, Alán

2012-02-01

Organic photovoltaic devices have emerged as competitors to silicon-based solar cells, currently reaching efficiencies of over 9% and offering desirable properties for manufacturing and installation. We study conjugated donor polymers for high-efficiency bulk-heterojunction photovoltaic devices with a molecular library motivated by experimental feasibility. We use quantum mechanics and a distributed computing approach to explore this vast molecular space. We will detail the screening approach starting from the generation of the molecular library, which can be easily extended to other kinds of molecular systems. We will describe the screening method for these materials which ranges from descriptor models, ubiquitous in the drug discovery community, to eventually reaching first principles quantum chemistry methods. We will present results on the statistical analysis, based principally on machine learning, specifically partial least squares and Gaussian processes. Alongside, clustering methods and the use of the hypergeometric distribution reveal moieties important for the donor materials and allow us to quantify structure-property relationships. These efforts enable us to accelerate materials discovery in organic photovoltaics through our collaboration with experimental groups.

Some Problems of Extremes in Geometry and Construction

ERIC Educational Resources Information Center

Yanovsky, Levi

2008-01-01

Two original problems in geometry are presented with solutions utilizing to differential calculus: (a) rectangle inscribed in a sector; (b) point on the ray of the angle. The possibility of applying mathematics in general and differential calculus in particular for solution of practical problems is discussed. (Contains 8 figures.)

Frequently Asked Questions - Naval Oceanography Portal

Science.gov Websites

high confidence. Circular TCFA areas are issued when a developing cyclone's speed and direction of ;, "Medium", and "High" mean on the ABIO and ABPW messages? What is a "Tropical rectangle? When does JTWC initiate warnings on tropical disturbances? How often are warnings updated by JTWC

The Day Search Stood Still

ERIC Educational Resources Information Center

Sexton, Will

2010-01-01

That little rectangle with a button next to it? (Those things called search boxes but might just as well be called "resource drains.") Imagine it disappearing from a library's webpages. The intricate works behind these design elements make up a major portion of what library staff spends time and money developing, populating, supporting,…

Secondary School Mathematics, Chapter 13, Perpendiculars and Parallels (I), Chapter 14, Similarity. Student's Text.

ERIC Educational Resources Information Center

Stanford Univ., CA. School Mathematics Study Group.

The first chapter of the seventh unit in this SMSG series discusses perpendiculars and parallels; topics covered include the relationship between parallelism and perpendicularity, rectangles, transversals, parallelograms, general triangles, and measurement of the circumference of the earth. The second chapter, on similarity, discusses scale…

Classroom Seating Considerations for 21st Century Students and Faculty

ERIC Educational Resources Information Center

Harvey, Eugene J.; Kenyon, Melaine C.

2013-01-01

This quantitative, cross-sectional research study explored students' perceptions of five different seating styles within typical classrooms in an urban public higher education institution. The five seating styles included: modern mobile chairs, tablet arm chairs, fixed tiered seating with tablet arms, rectangle tables with standard chairs, and…

Using Polarized Spectroscopy to Investigate Order in Thin-Films of Ionic Self-Assembled Materials Based on Azo-Dyes

PubMed Central

Ahmad, Mariam; Andersen, Frederik; Brend Bech, Ári; Bendixen, H. Krestian L.; Nawrocki, Patrick R.; Bloch, Anders J.; Bora, Ilkay; Bukhari, Tahreem A.; Bærentsen, Nicolai V.; Carstensen, Jens; Chima, Smeeah; Colberg, Helene; Dahm, Rasmus T.; Daniels, Joshua A.; Dinckan, Nermin; El Idrissi, Mohamed; Erlandsen, Ricci; Førster, Marc; Ghauri, Yasmin; Gold, Mikkel; Hansen, Andreas; Hansen, Kenn; Helmsøe-Zinck, Mathias; Henriksen, Mathias; Hoffmann, Sophus V.; Hyllested, Louise O. H.; Jensen, Casper; Kallenbach, Amalie S.; Kaur, Kirandip; Khan, Suheb R.; Kjær, Emil T. S.; Kristiansen, Bjørn; Langvad, Sylvester; Lund, Philip M.; Munk, Chastine F.; Møller, Theis; Nehme, Ola M. Z.; Nejrup, Mathilde Rove; Nexø, Louise; Nielsen, Simon Skødt Holm; Niemeier, Nicolai; Nikolajsen, Lasse V.; Nøhr, Peter C. T.; Skaarup Ovesen, Jacob; Paustian, Lucas; Pedersen, Adam S.; Petersen, Mathias K.; Poulsen, Camilla M.; Praeger-Jahnsen, Louis; Qureshi, L. Sonia; Schiermacher, Louise S.; Simris, Martin B.; Smith, Gorm; Smith, Heidi N.; Sonne, Alexander K.; Zenulovic, Marko R.; Winther Sørensen, Alma; Vogt, Emil; Væring, Andreas; Westermann, Jonas; Özcan, Sevin B.

2018-01-01

Three series of ionic self-assembled materials based on anionic azo-dyes and cationic benzalkonium surfactants were synthesized and thin films were prepared by spin-casting. These thin films appear isotropic when investigated with polarized optical microscopy, although they are highly anisotropic. Here, three series of homologous materials were studied to rationalize this observation. Investigating thin films of ordered molecular materials relies to a large extent on advanced experimental methods and large research infrastructure. A statement that in particular is true for thin films with nanoscopic order, where X-ray reflectometry, X-ray and neutron scattering, electron microscopy and atom force microscopy (AFM) has to be used to elucidate film morphology and the underlying molecular structure. Here, the thin films were investigated using AFM, optical microscopy and polarized absorption spectroscopy. It was shown that by using numerical method for treating the polarized absorption spectroscopy data, the molecular structure can be elucidated. Further, it was shown that polarized optical spectroscopy is a general tool that allows determination of the molecular order in thin films. Finally, it was found that full control of thermal history and rigorous control of the ionic self-assembly conditions are required to reproducibly make these materials of high nanoscopic order. Similarly, the conditions for spin-casting are shown to be determining for the overall thin film morphology, while molecular order is maintained. PMID:29462883

Using Polarized Spectroscopy to Investigate Order in Thin-Films of Ionic Self-Assembled Materials Based on Azo-Dyes.

PubMed

Kühnel, Miguel R Carro-Temboury Martin; Ahmad, Mariam; Andersen, Frederik; Bech, Ári Brend; Bendixen, H Krestian L; Nawrocki, Patrick R; Bloch, Anders J; Bora, Ilkay; Bukhari, Tahreem A; Bærentsen, Nicolai V; Carstensen, Jens; Chima, Smeeah; Colberg, Helene; Dahm, Rasmus T; Daniels, Joshua A; Dinckan, Nermin; Idrissi, Mohamed El; Erlandsen, Ricci; Førster, Marc; Ghauri, Yasmin; Gold, Mikkel; Hansen, Andreas; Hansen, Kenn; Helmsøe-Zinck, Mathias; Henriksen, Mathias; Hoffmann, Sophus V; Hyllested, Louise O H; Jensen, Casper; Kallenbach, Amalie S; Kaur, Kirandip; Khan, Suheb R; Kjær, Emil T S; Kristiansen, Bjørn; Langvad, Sylvester; Lund, Philip M; Munk, Chastine F; Møller, Theis; Nehme, Ola M Z; Nejrup, Mathilde Rove; Nexø, Louise; Nielsen, Simon Skødt Holm; Niemeier, Nicolai; Nikolajsen, Lasse V; Nøhr, Peter C T; Orlowski, Dominik B; Overgaard, Marc; Ovesen, Jacob Skaarup; Paustian, Lucas; Pedersen, Adam S; Petersen, Mathias K; Poulsen, Camilla M; Praeger-Jahnsen, Louis; Qureshi, L Sonia; Ree, Nicolai; Schiermacher, Louise S; Simris, Martin B; Smith, Gorm; Smith, Heidi N; Sonne, Alexander K; Zenulovic, Marko R; Sørensen, Alma Winther; Sørensen, Karina; Vogt, Emil; Væring, Andreas; Westermann, Jonas; Özcan, Sevin B; Sørensen, Thomas Just

2018-02-15

Three series of ionic self-assembled materials based on anionic azo-dyes and cationic benzalkonium surfactants were synthesized and thin films were prepared by spin-casting. These thin films appear isotropic when investigated with polarized optical microscopy, although they are highly anisotropic. Here, three series of homologous materials were studied to rationalize this observation. Investigating thin films of ordered molecular materials relies to a large extent on advanced experimental methods and large research infrastructure. A statement that in particular is true for thin films with nanoscopic order, where X-ray reflectometry, X-ray and neutron scattering, electron microscopy and atom force microscopy (AFM) has to be used to elucidate film morphology and the underlying molecular structure. Here, the thin films were investigated using AFM, optical microscopy and polarized absorption spectroscopy. It was shown that by using numerical method for treating the polarized absorption spectroscopy data, the molecular structure can be elucidated. Further, it was shown that polarized optical spectroscopy is a general tool that allows determination of the molecular order in thin films. Finally, it was found that full control of thermal history and rigorous control of the ionic self-assembly conditions are required to reproducibly make these materials of high nanoscopic order. Similarly, the conditions for spin-casting are shown to be determining for the overall thin film morphology, while molecular order is maintained.

Diaphragm motion quantification in megavoltage cone-beam CT projection images.

PubMed

Chen, Mingqing; Siochi, R Alfredo

2010-05-01

To quantify diaphragm motion in megavoltage (MV) cone-beam computed tomography (CBCT) projections. User identified ipsilateral hemidiaphragm apex (IHDA) positions in two full exhale and inhale frames were used to create bounding rectangles in all other frames of a CBCT scan. The bounding rectangle was enlarged to create a region of interest (ROI). ROI pixels were associated with a cost function: The product of image gradients and a gradient direction matching function for an ideal hemidiaphragm determined from 40 training sets. A dynamic Hough transform (DHT) models a hemidiaphragm as a contour made of two parabola segments with a common vertex (the IHDA). The images within the ROIs are transformed into Hough space where a contour's Hough value is the sum of the cost function over all contour pixels. Dynamic programming finds the optimal trajectory of the common vertex in Hough space subject to motion constraints between frames, and an active contour model further refines the result. Interpolated ray tracing converts the positions to room coordinates. Root-mean-square (RMS) distances between these positions and those resulting from an expert's identification of the IHDA were determined for 21 Siemens MV CBCT scans. Computation time on a 2.66 GHz CPU was 30 s. The average craniocaudal RMS error was 1.38 +/- 0.67 mm. While much larger errors occurred in a few near-sagittal frames on one patient's scans, adjustments to algorithm constraints corrected them. The DHT based algorithm can compute IHDA trajectories immediately prior to radiation therapy on a daily basis using localization MVCBCT projection data. This has potential for calibrating external motion surrogates against diaphragm motion.

A systematic investigation of the preparation and properties of composite carbon molecular sieves containing inorganic oxides

NASA Technical Reports Server (NTRS)

Foley, Henry C.

1990-01-01

The objective of this research is to define the methodology for the preparation and characterization of new carbon-based molecular sieves with composite structures. Carbon molecular sieves have found increasing application in the field of separation and purification of gases. These materials are relatively easy to prepare and their surfaces can be modified to some extent. It is expected that by combining inorganic oxides with the carbonaceous structure one can begin to design composite materials with a wider range of possible chemical and physical properties. In this way, the IOM-CMS materials may confer distinct advantages over pure carbon molecular sieves, not just for separation, but also for catalysis. The most recent results in the design and characterization of these IOM-CMS materials are reviewed and summarized. Directions for further research are also presented.

Effect of Material Ion Exchanges on the Mechanical Stiffness Properties and Shear Deformation of Hydrated Cement Material Chemistry Structure C-S-H Jennite -- A Computational Modeling Study

NASA Astrophysics Data System (ADS)

Adebiyi, Babatunde Mattew

Material properties and performance are governed by material molecular chemistry structures and molecular level interactions. Methods to understand relationships between the material properties and performance and their correlation to the molecular level chemistry and morphology, and thus find ways of manipulating and adjusting matters at the atomistic level in order to improve material performance, are required. A computational material modeling methodology is investigated and demonstrated for a key cement hydrated component material chemistry structure of Calcium-Silicate-Hydrate (C-S-H) Jennite in this work. The effect of material ion exchanges on the mechanical stiffness properties and shear deformation behavior of hydrated cement material chemistry structure of Calcium Silicate Hydrate (C-S-H) Jennite was studied. Calcium ions were replaced with Magnesium ions in Jennite structure of the C-S-H gel. Different level of substitution of the ions was used. The traditional Jennite structure was obtained from the American Mineralogist Crystal Structure Database and super cells of the structures were created using a Molecular Dynamics Analyzer and Visualizer Material Studio. Molecular dynamics parameters used in the modeling analysis were determined by carrying out initial dynamic studies. 64 unit cell of C-S-H Jennite was used in material modeling analysis studies based on convergence results obtained from the elastic modulus and total energies. NVT forcite dynamics using COMPASS force field based on 200 ps dynamics time was used to determine mechanical modulus of the traditional C-S-H gel and the Magnesium ion modified structures. NVT Discover dynamics using COMPASS forcefield was used in the material modeling studies to investigate the influence of ionic exchange on the shear deformation of the associated material chemistry structures. A prior established quasi-static deformation method to emulate shear deformation of C-S-H material chemistry structure that is based on a triclinic crystal structure was used, by deforming the triclinic crystal structure at 0.2 degree per time step for 75 steps of deformation. It was observed that there is a decrease in the total energies of the systems as the percentage of magnesium ion increases in the C-S-H Jennite molecular structure systems. Investigation of effect of ion exchange on the elastic modulus shows that the elastic stiffness modulus tends to decrease as the amount of Mg in the systems increases, using either COMPASS or universal force field. On the other hand, shear moduli obtained after deforming the structures computed from the stress-strain curve obtained from material modeling increases as the amount of Mg increases in the system. The present investigations also showed that ultimate shear stress obtained from predicted shear stress---strain also increases with amount of Mg in the chemistry structure. Present study clearly demonstrates that computational material modeling following molecular dynamics analysis methodology is an effective way to predict and understand the effective material chemistry and additive changes on the stiffness and deformation characteristics in cementitious materials, and the results suggest that this method can be extended to other materials.

Approximate analytical solutions in the analysis of elastic structures of complex geometry

NASA Astrophysics Data System (ADS)

Goloskokov, Dmitriy P.; Matrosov, Alexander V.

2018-05-01

A method of analytical decomposition for analysis plane structures of a complex configuration is presented. For each part of the structure in the form of a rectangle all the components of the stress-strain state are constructed by the superposition method. The method is based on two solutions derived in the form of trigonometric series with unknown coefficients using the method of initial functions. The coefficients are determined from the system of linear algebraic equations obtained while satisfying the boundary conditions and the conditions for joining the structure parts. The components of the stress-strain state of a bent plate with holes are calculated using the analytical decomposition method.

Modeling spatially localized photonic nanojets from phase diffraction gratings

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

Geints, Yu. E., E-mail: ygeints@iao.ru; Tomsk State University, 36, Lenina Avenue, Tomsk 634050; Zemlyanov, A. A.

2016-04-21

We investigated numerically the specific spatially localized intense optical structure, a photonic nanojet (PNJ), formed in the near-field scattering of optical radiation at phase diffraction gratings. The finite-difference time-domain technique was employed to study the PNJ key parameters (length, width, focal distance, and intensity) produced by diffraction gratings with the saw-tooth, rectangle, and hemispheric line profiles. Our analysis showed that each type of diffraction gratings produces a photonic jet with unique characteristics. Based on the numerical calculations, we demonstrate that the PNJ could be manipulated in a wide range through the variation of period, duty cycle, and shape of diffractionmore » grating rulings.« less

Solution Processed Organic Photovoltaic Cells Using D-A-D-A-D Type Small Molecular Donor Materials with Benzodithiophene and Diketopyrrolopyrrole Units.

PubMed

Park, Sangman; Nam, So Yeon; Suh, Dong Hack; Lee, Jaemin; Lee, Changjin; Yoon, Sung Cheol

2016-03-01

Organic photovoltaic Cells (OPVs) have been considered to be a next-generation energy source to overcome exhaustion of resources. Currently, OPVs are developed based on two types of donor material with polymer and small molecule. Polymeric donor materials have shown better power conversion efficiency (PCE) than small molecular donor materials, since it's easy to control the morphology of photoactive film. However, the difficulty in synthetic reproducibility and purification of polymeric donor were main drawback to overcome. And then, recently small molecule donor materials have been overcome bad morphology of OPVs film by using appropriate alkyl substituents and relatively long conjugation system. In this study, we designed and synthesized D-A-D-A-D type small molecular donor materials containing alternatively linked benzodithiophene (BDT) and diketopyrrolopyrrole (DPP) units. Also, we studied on the effect of photovoltaic performance of prepared small molecular D-A-D-A-D type donor with variation of thiophene links and with/without hexyl substituent. Our small molecular donors showed HOMO energy levels from -5.26 to -5.34 eV and optical bandgaps from 1.70 to 1.87 eV by CV (cyclic voltammetry) and UV/Vis spectroscopy, respectively. Finally, 3.4% of PCE can be obtained using a mixture of BDT(DPP)2-T2 and PCBM as an active layer with a Voc of 0.78 V, a Jsc of 9.72 mA/cm2, and a fill factor of 0.44 under 100 mW/cm2 AM 1.5G simulated light. We will discuss the performance of D-A-D-A-D type small molecular donor based OPVs with variation of both terminal substituents.

3D-Printable Photochromic Molecular Materials for Reversible Information Storage.

PubMed

Wales, Dominic J; Cao, Qun; Kastner, Katharina; Karjalainen, Erno; Newton, Graham N; Sans, Victor

2018-06-01

The formulation of advanced molecular materials with bespoke polymeric ionic-liquid matrices that stabilize and solubilize hybrid organic-inorganic polyoxometalates and allow their processing by additive manufacturing, is effectively demonstrated. The unique photo and redox properties of nanostructured polyoxometalates are translated across the scales (from molecular design to functional materials) to yield macroscopic functional devices with reversible photochromism. These properties open a range of potential applications including reversible information storage based on controlled topological and temporal reduction/oxidation of pre-formed printed devices. This approach pushes the boundaries of 3D printing to the molecular limits, allowing the freedom of design enabled by 3D printing to be coupled with the molecular tuneability of polymerizable ionic liquids and the photoactivity and orbital engineering possible with hybrid polyoxometalates. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Direct induction of molecular alignment in liquid crystal polymer network film by photopolymerization

NASA Astrophysics Data System (ADS)

Hisano, K.; Aizawa, M.; Ishizu, M.; Kurata, Y.; Shishido, A.

2016-09-01

Liquid crystal (LC) is the promising material for the fabrication of high-performance soft, flexible devices. The fascinating and useful properties arise from their cooperative effect that inherently allows the macroscopic integration and control of molecular alignment through various external stimuli. To date, light-matter interaction is the most attractive stimuli and researchers developed photoalignment through photochemical or photophysical reactions triggered by linearly polarized light. Here we show the new choice based on molecular diffusion by photopolymerization. We found that photopolymerization of a LC monomer and a crosslinker through a photomask enables to direct molecular alignment in the resultant LC polymer network film. The key generating the molecular alignment is molecular diffusion due to the difference of chemical potentials between irradiated and unirradiated regions. This concept is applicable to various shapes of photomask and two-dimensional molecular alignments can be fabricated depending on the spatial design of photomask. By virtue of the inherent versatility of molecular diffusion in materials, the process would shed light on the fabrication of various high-performance flexible materials with molecular alignment having controlled patterns.

The Optimization of In-Memory Space Partitioning Trees for Cache Utilization

NASA Astrophysics Data System (ADS)

Yeo, Myung Ho; Min, Young Soo; Bok, Kyoung Soo; Yoo, Jae Soo

In this paper, a novel cache conscious indexing technique based on space partitioning trees is proposed. Many researchers investigated efficient cache conscious indexing techniques which improve retrieval performance of in-memory database management system recently. However, most studies considered data partitioning and targeted fast information retrieval. Existing data partitioning-based index structures significantly degrade performance due to the redundant accesses of overlapped spaces. Specially, R-tree-based index structures suffer from the propagation of MBR (Minimum Bounding Rectangle) information by updating data frequently. In this paper, we propose an in-memory space partitioning index structure for optimal cache utilization. The proposed index structure is compared with the existing index structures in terms of update performance, insertion performance and cache-utilization rate in a variety of environments. The results demonstrate that the proposed index structure offers better performance than existing index structures.

Proceedings of the NATO Advances Research Workshop on Diamond Based Composites, Saint Petersburg, Russia, June 21-22, 1997, Volume 38

DTIC Science & Technology

1997-06-01

composites. The topics ranged from molecular clusters, nanophase materials, growth, processing, and synthesis. Commercial composite materials have been on...example, an analysis of the emission from a GaAs target shows mainly (99.4%) neutral Ga and As atoms. [63] However, the fraction of molecular species...sputtered from ionic crystals can be considerably higher. [64] There is evidence that a large fraction of the molecular species originate from

''Math in a Can'': Teaching Mathematics and Engineering Design

ERIC Educational Resources Information Center

Narode, Ronald B.

2011-01-01

Using an apparently simple problem, ''Design a cylindrical can that will hold a liter of milk,'' this paper demonstrates how engineering design may facilitate the teaching of the following ideas to secondary students: linear and non-linear relationships; basic geometry of circles, rectangles, and cylinders; unit measures of area and volume;…

Early Development of Object Unity: Evidence for Perceptual Completion in Newborns

ERIC Educational Resources Information Center

Valenza, Eloisa; Bulf, Hermann

2011-01-01

The present study aimed to investigate whether perceptual completion is available at birth, in the absence of any visual experience. An extremely underspecified kinetic visual display composed of four spatially separated fragments arranged to give rise to an illusory rectangle that occluded a vertical rod (illusory condition) or rotated so as not…

Don't Fence Us in

ERIC Educational Resources Information Center

Carter, Chris

2010-01-01

Since teachers always teach area and perimeter together--and they are both introduced soon after the definition of a rectangle--it is not surprising that students mix up the notions of area and perimeter. Changing the investigation on maximising the area of a fixed perimeter from the traditional, but boring, "Sheep pens" to the much more…

Classroom Physical Design Influencing Student Learning and Evaluations of College Instructors: A Review of Literature

ERIC Educational Resources Information Center

Lei, Simon A.

2010-01-01

The physical design of classrooms, including studios, laboratories, auditoriums, and other indoor environments, can have a profound impact on student learning and subsequent overall ratings (student evaluations) of college instructors. Many college classrooms have been conventionally designed in the shape of a square or a rectangle, with…

The Case for the L-Shaped Classroom.

ERIC Educational Resources Information Center

Dyck, James A.

1994-01-01

Classroom shape is an important variable in educational quality. The traditional squat rectangle may be counterproductive to the learning process. The fat L-shaped classroom, compared to H, X, and T shapes, offers good separation, is more compact, and provides good visibility and ease of movement for the teacher. It has excellent nesting…

Scaffolding for Access to Productive Struggle

ERIC Educational Resources Information Center

Barlow, Angela T.; Gerstenschlager, Natasha E.; Strayer, Jeremy F.; Lischka, Alyson E.; Stephens, D. Christopher; Hartland, Kristin S.; Willingham, J. Christopher

2018-01-01

This article begins by describing a class scenario in which a teacher gives her students the L problem (Watanabe 2008), which involves finding the area of a composite figure. Her students inappropriately extend the area formula for rectangles (A = L x W) to composite figures by multiplying all given dimensions. After class, the teacher concluded…

Developmental and Individual Differences in Children's Area Judgment Rules.

ERIC Educational Resources Information Center

Silverman, Irwin W.; Paskewitz, Sabra Lee

1988-01-01

Investigated whether children in kindergarten and grades 2 and 4 applied one- or two-dimensional rules in rating areas of rectangles, triangles, and ellipses. A majority of subjects produced judgments consistent with one of the rules. The findings contradict Piaget's claim that young children are limited to one-dimensional judgments. (SKC)

76 FR 19290 - Safety Zone; Commencement Bay, Tacoma, WA

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-07

... the following points Latitude 47[deg]17'38'' N, Longitude 122[deg]28'43'' W; thence south easterly to... protruding from the shoreline along Ruston Way. Floating markers will be placed by the sponsor of the event... rectangle protruding from the shoreline along Ruston Way. Floating markers will be placed by the sponsor of...

Modelling Problem-Solving Situations into Number Theory Tasks: The Route towards Generalisation

ERIC Educational Resources Information Center

Papadopoulos, Ioannis; Iatridou, Maria

2010-01-01

This paper examines the way two 10th graders cope with a non-standard generalisation problem that involves elementary concepts of number theory (more specifically linear Diophantine equations) in the geometrical context of a rectangle's area. Emphasis is given on how the students' past experience of problem solving (expressed through interplay…

2. GARAGE. VIEW LOOKING NORTHWEST. THE ORIGINAL DOOR IN THE ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

2. GARAGE. VIEW LOOKING NORTHWEST. THE ORIGINAL DOOR IN THE SOUTHEND HAS BEEN INFILLED. THE DARK RECTANGLE (AT RIGHT OF WINDOW) IS A PIECE OF PLYWOOD WITH AN ELECTRICAL RECEPTACLE ITS PURPOSE WAS NOT DETERMINED. - Tonto Ranger Station, Garage, Forest Service Road 65 at Tonto Wash, Skull Valley, Yavapai County, AZ

Contour entropy: a new determinant of perceiving ground or a hole.

PubMed

Gillam, Barbara J; Grove, Philip M

2011-06-01

Figure-ground perception is typically described as seeing one surface occluding another. Figure properties, not ground properties, are considered the significant factors. In scenes, however, a near surface will often occlude multiple contours and surfaces, often at different depths, producing alignments that are improbable except under conditions of occlusion. We thus hypothesized that unrelated (high entropy) lines would tend to appear as ground in a figure-ground paradigm more often than similarly aligned ordered (low entropy) lines. We further hypothesized that for lines spanning a closed area, high line entropy should increase the hole-like appearance of that area. These predictions were confirmed in three experiments. The probability that patterned rectangles were seen as ground when alternated with blank rectangles increased with pattern entropy. A single rectangular shape appeared more hole-like when the entropy of the enclosed contours increased. Furthermore, these same contours, with the outline shape removed, gave rise to bounding illusory contours whose strength increased with contour entropy. We conclude that figure-ground and hole perception can be determined by properties of ground in the absence of any figural shape, or surround, factors.

Attention, spatial integration, and the tail of response time distributions in Stroop task performance.

PubMed

Roelofs, Ardi

2012-01-01

A few studies have examined selective attention in Stroop task performance through ex-Gaussian analyses of response time (RT) distributions. It has remained unclear whether the tail of the RT distribution in vocal responding reflects spatial integration of relevant and irrelevant attributes, as suggested by Spieler, Balota, and Faust (2000). Here, two colour-word Stroop experiments with vocal responding are reported in which the spatial relation between colour and word was manipulated. Participants named colours (e.g., green; say "green") while trying to ignore distractors that were incongruent or congruent words (e.g., red or green), or neutral series of Xs. The vocal RT was measured. Colour words in colour, white words superimposed onto colour rectangles (Experiment 1), and colour rectangles combined with auditory words (Experiment 2) yielded Stroop effects in both the leading edge and the tail of the RT distributions. These results indicate that spatial integration is not necessary for effects in the tail to occur in vocal responding. It is argued that the findings are compatible with an association of the tail effects with task conflict.

Young's moduli of carbon materials investigated by various classical molecular dynamics schemes

NASA Astrophysics Data System (ADS)

Gayk, Florian; Ehrens, Julian; Heitmann, Tjark; Vorndamme, Patrick; Mrugalla, Andreas; Schnack, Jürgen

2018-05-01

For many applications classical carbon potentials together with classical molecular dynamics are employed to calculate structures and physical properties of such carbon-based materials where quantum mechanical methods fail either due to the excessive size, irregular structure or long-time dynamics. Although such potentials, as for instance implemented in LAMMPS, yield reasonably accurate bond lengths and angles for several carbon materials such as graphene, it is not clear how accurate they are in terms of mechanical properties such as for instance Young's moduli. We performed large-scale classical molecular dynamics investigations of three carbon-based materials using the various potentials implemented in LAMMPS as well as the EDIP potential of Marks. We show how the Young's moduli vary with classical potentials and compare to experimental results. Since classical descriptions of carbon are bound to be approximations it is not astonishing that different realizations yield differing results. One should therefore carefully check for which observables a certain potential is suited. Our aim is to contribute to such a clarification.

Two-dimensional materials for novel liquid separation membranes.

PubMed

Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng

2016-08-19

Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as well as fully explain up-to-date mechanisms and models of water transport and molecular separation behavior, which will arouse great interest among researchers entering or already working in the field of 2D material-based membranes.

Two-dimensional materials for novel liquid separation membranes

NASA Astrophysics Data System (ADS)

Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng

2016-08-01

Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as well as fully explain up-to-date mechanisms and models of water transport and molecular separation behavior, which will arouse great interest among researchers entering or already working in the field of 2D material-based membranes.

Tensile strength and water absorption of alumina filled poly (methyl methacrylate) denture base material.

PubMed

Nizam, A; Mohamed, S H; Arifin, A; Mohd Ishak, Z A; Samsudin, A R

2004-05-01

The aim of this study was to evaluate the tensile properties and water absorption of denture base material prepared from high molecular weight poly methyl methacrylate (PMMA) and alumina (Al2O3) as particulate filler. Specimens for mechanical testing were prepared by adding composite powder to the monomer followed by hand mixing as in dental laboratory procedure. The tensile strength of the prepared denture base material was slightly higher than commercial denture base material, while the water absorption was almost the same for all formulation of denture base materials.

A novel neural network based image reconstruction model with scale and rotation invariance for target identification and classification for Active millimetre wave imaging

NASA Astrophysics Data System (ADS)

Agarwal, Smriti; Bisht, Amit Singh; Singh, Dharmendra; Pathak, Nagendra Prasad

2014-12-01

Millimetre wave imaging (MMW) is gaining tremendous interest among researchers, which has potential applications for security check, standoff personal screening, automotive collision-avoidance, and lot more. Current state-of-art imaging techniques viz. microwave and X-ray imaging suffers from lower resolution and harmful ionizing radiation, respectively. In contrast, MMW imaging operates at lower power and is non-ionizing, hence, medically safe. Despite these favourable attributes, MMW imaging encounters various challenges as; still it is very less explored area and lacks suitable imaging methodology for extracting complete target information. Keeping in view of these challenges, a MMW active imaging radar system at 60 GHz was designed for standoff imaging application. A C-scan (horizontal and vertical scanning) methodology was developed that provides cross-range resolution of 8.59 mm. The paper further details a suitable target identification and classification methodology. For identification of regular shape targets: mean-standard deviation based segmentation technique was formulated and further validated using a different target shape. For classification: probability density function based target material discrimination methodology was proposed and further validated on different dataset. Lastly, a novel artificial neural network based scale and rotation invariant, image reconstruction methodology has been proposed to counter the distortions in the image caused due to noise, rotation or scale variations. The designed neural network once trained with sample images, automatically takes care of these deformations and successfully reconstructs the corrected image for the test targets. Techniques developed in this paper are tested and validated using four different regular shapes viz. rectangle, square, triangle and circle.

Metal-organic frameworks with dynamic interlocked components

NASA Astrophysics Data System (ADS)

Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.

2012-06-01

The dynamics of mechanically interlocked molecules such as rotaxanes and catenanes have been studied in solution as examples of rudimentary molecular switches and machines, but in this medium, the molecules are randomly dispersed and their motion incoherent. As a strategy for achieving a higher level of molecular organization, we have constructed a metal-organic framework material using a [2]rotaxane as the organic linker and binuclear Cu(II) units as the nodes. Activation of the as-synthesized material creates a void space inside the rigid framework that allows the soft macrocyclic ring of the [2]rotaxane to rotate rapidly, unimpeded by neighbouring molecular components. Variable-temperature 13C and 2H solid-state NMR experiments are used to characterize the nature and rate of the dynamic processes occurring inside this unique material. These results provide a blueprint for the future creation of solid-state molecular switches and molecular machines based on mechanically interlocked molecules.

Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System

PubMed Central

2017-01-01

Thermally activated delayed fluorescence (TADF) materials have shown great potential for highly efficient organic light-emitting diodes (OLEDs). While the current molecular design of TADF materials primarily focuses on combining donor and acceptor units, we present a novel system based on the use of excited-state intramolecular proton transfer (ESIPT) to achieve efficient TADF without relying on the well-established donor–acceptor scheme. In an appropriately designed acridone-based compound with intramolecular hydrogen bonding, ESIPT leads to separation of the highest occupied and lowest unoccupied molecular orbitals, resulting in TADF emission with a photoluminescence quantum yield of nearly 60%. High external electroluminescence quantum efficiencies of up to 14% in OLEDs using this emitter prove that efficient triplet harvesting is possible with ESIPT-based TADF materials. This work will expand and accelerate the development of a wide variety of TADF materials for high performance OLEDs. PMID:28776019

Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles.

PubMed

Petrini, Paula A; Silva, Ricardo M L; de Oliveira, Rafael F; Merces, Leandro; Bof Bufon, Carlos C

2018-06-29

Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscopy. The incorporation of molecular materials in devices is not a trivial task as the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (k CuPc ) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al 2 O 3 layers, and the CuPc molecular ensembles have been fabricated and evaluated. The Al 2 O 3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (<30 nm). From the electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (k CuPc  = 4.5 ± 0.5). These values suggest a mild contribution of the molecular orientation on the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology.

Hybrid nanomembrane-based capacitors for the determination of the dielectric constant of semiconducting molecular ensembles

NASA Astrophysics Data System (ADS)

Petrini, Paula A.; Silva, Ricardo M. L.; de Oliveira, Rafael F.; Merces, Leandro; Bof Bufon, Carlos C.

2018-06-01

Considerable advances in the field of molecular electronics have been achieved over the recent years. One persistent challenge, however, is the exploitation of the electronic properties of molecules fully integrated into devices. Typically, the molecular electronic properties are investigated using sophisticated techniques incompatible with a practical device technology, such as the scanning tunneling microscopy. The incorporation of molecular materials in devices is not a trivial task as the typical dimensions of electrical contacts are much larger than the molecular ones. To tackle this issue, we report on hybrid capacitors using mechanically-compliant nanomembranes to encapsulate ultrathin molecular ensembles for the investigation of molecular dielectric properties. As the prototype material, copper (II) phthalocyanine (CuPc) has been chosen as information on its dielectric constant (k CuPc) at the molecular scale is missing. Here, hybrid nanomembrane-based capacitors containing metallic nanomembranes, insulating Al2O3 layers, and the CuPc molecular ensembles have been fabricated and evaluated. The Al2O3 is used to prevent short circuits through the capacitor plates as the molecular layer is considerably thin (<30 nm). From the electrical measurements of devices with molecular layers of different thicknesses, the CuPc dielectric constant has been reliably determined (k CuPc = 4.5 ± 0.5). These values suggest a mild contribution of the molecular orientation on the CuPc dielectric properties. The reported nanomembrane-based capacitor is a viable strategy for the dielectric characterization of ultrathin molecular ensembles integrated into a practical, real device technology.

Challenges in Materials Transformation Modeling for Polyolefins Industry

NASA Astrophysics Data System (ADS)

Lai, Shih-Yaw; Swogger, Kurt W.

2004-06-01

Unlike most published polymer processing and/or forming research, the transformation of polyolefins to fabricated articles often involves non-confined flow or so-called free surface flow (e.g. fiber spinning, blown films, and cast films) in which elongational flow takes place during a fabrication process. Obviously, the characterization and validation of extensional rheological parameters and their use to develop rheological constitutive models are the focus of polyolefins materials transformation research. Unfortunately, there are challenges that remain with limited validation for non-linear, non-isothermal constitutive models for polyolefins. Further complexity arises in the transformation of polyolefins in the elongational flow system as it involves stress-induced crystallization process. The complicated nature of elongational, non-linear rheology and non-isothermal crystallization kinetics make the development of numerical methods very challenging for the polyolefins materials forming modeling. From the product based company standpoint, the challenges of materials transformation research go beyond elongational rheology, crystallization kinetics and its numerical modeling. In order to make models useful for the polyolefin industry, it is critical to develop links between molecular parameters to both equipment and materials forming parameters. The recent advances in the constrained geometry catalysis and materials sciences understanding (INSITE technology and molecular design capability) has made industrial polyolefinic materials forming modeling more viable due to the fact that the molecular structure of the polymer can be well predicted and controlled during the polymerization. In this paper, we will discuss inter-relationship (models) among molecular parameters such as polymer molecular weight (Mw), molecular weight distribution (MWD), long chain branching (LCB), short chain branching (SCB or comonomer types and distribution) and their affects on shear and elongational rheologies, on tie-molecules probabilities, on non-isothermal stress-induced crystallization, on crystalline/amorphous orientation vs. mechanical property relationship, etc. All of the above mentioned inter-relationships (models) are critical to the successful development of a knowledge based industrial model. Dow Polyolefins and Elastomers business is one of the world largest polyolefins resin producers with the most advanced INSITE technology and a "6-Day model" molecular design capability. Dow also offers one of the broadest polyolefinic product ranges and applications to the market.

Recent aspects of self-oscillating polymeric materials: designing self-oscillating polymers coupled with supramolecular chemistry and ionic liquid science.

PubMed

Ueki, Takeshi; Yoshida, Ryo

2014-06-14

Herein, we summarise the recent developments in self-oscillating polymeric materials based on the concepts of supramolecular chemistry, where aggregates of molecular building blocks with non-covalent bonds evolve the temporal or spatiotemporal structure. By utilising the rhythmic oscillation of the association/dissociation of molecular aggregates coupled with the redox oscillation by the BZ reaction, novel soft materials that express similar functions as those of living matter will be achieved. Further, from the viewpoint of materials science, our recent approach to prepare self-oscillating materials that operate long-term under mild conditions will be introduced.

A perspective on slow-relaxing molecular magnets built from rare-earths and nitronyl-nitroxide building blocks (invited)

NASA Astrophysics Data System (ADS)

Bogani, Lapo

2011-04-01

We offer a perspective, accessible to both chemists and physicists, of recent developments in the synthesis and characterization of molecular magnetic materials based on rare-earths and nitronyl-nitroxide radicals. We show both the rationale of the synthetic strategies and the observed behaviors. We highlight the relevance of these findings for synthetic chemists, material scientists, and physicists.

Simulating resonance-mediated two-photon absorption enhancement in rare-earth ions by a rectangle phase modulation

NASA Astrophysics Data System (ADS)

Qi, Da-Long; Zheng, Ye; Cheng, Wen-Jing; Yao, Yun-Hua; Deng, Lian-Zhong; Feng, Dong-Hai; Jia, Tian-Qing; Sun, Zhen-Rong; Zhang, Shi-An

2018-01-01

Not Available Project supported by the National Natural Science Foundation of China (Grant No. 11474096), the Science and Technology Commission of Shanghai Municipality, China (Grant Nos. 14JC1401500, 17ZR146900, and 16520721200), and the Higher Education Key Program of He’nan Province of China (Grant No. 17A140025).

Freddie Fish. A Primary Environmental Study of Basic Numerals, Sets, Ordinals and Shapes.

ERIC Educational Resources Information Center

Kraynak, Ola

This teacher's guide and study guide are an environmental approach to mathematics education in the primary grades. The mathematical studies of the numerals 0-10, ordinals, number sets, and basic shapes - diamond, circle, square, rectangle, and triangle - are developed through the story of Freddie Fish and his search for clean water. The…

Mathematical Representation by Students in Building Relational Understanding on Concepts of Area and Perimeter of Rectangle

ERIC Educational Resources Information Center

Anwar, Rahmad Bustanul; Yuwono, Ipung; As'ari, Abdur Rahman; Sisworo; Dwi, Rahmawati

2016-01-01

Representation is an important aspect of learners in building a relational understanding of mathematical concepts. But the ability of a mathematical representation of students in building relational understanding is still very limited. The purpose of this research is to description of mathematical representation of students who appear in building…

A Monte Carlo Application to Approximate the Integral from a to b of e Raised to the x Squared.

ERIC Educational Resources Information Center

Easterday, Kenneth; Smith, Tommy

1992-01-01

Proposes an alternative means of approximating the value of complex integrals, the Monte Carlo procedure. Incorporating a discrete approach and probability, an approximation is obtained from the ratio of computer-generated points falling under the curve to the number of points generated in a predetermined rectangle. (MDH)

A Quilt of Many Colors

ERIC Educational Resources Information Center

Masse, Don

2012-01-01

The author discovered artist Eleanor McCain's work on "Dear Ada," an art blog he follows. McCain makes brightly colored art quilts using various rectangles and squares. She creates visual "pop" by using these shapes in a variety of sizes and bright colors. There is an interesting spatial "push and pull" that happens when looking at her quilts.…

Automated Scoring of an Interactive Geometry Item: A Proof-of-Concept

ERIC Educational Resources Information Center

Masters, Jessica

2010-01-01

An online interactive geometry item was developed to explore students' abilities to create prototypical and "tilted" rectangles out of line segments. The item was administered to 1,002 students. The responses to the item were hand-coded as correct, incorrect, or incorrect with possible evidence of a misconception. A variation of the nearest…

Fiber sample presentation system for spectrophotometer cotton fiber color measurements

USDA-ARS?s Scientific Manuscript database

The Uster® High Volume Instrument (HVI) is used to class U.S. cotton for fiber color, yielding the industry accepted, cotton-specific color parameters Rd and +b. The HVI examines a 9 square inch fiber sample, and it is also used to test large AMS standard cotton “biscuits” or rectangles. Much inte...

Area Judgment from Width and Height Information: The Case of the Rectangle.

ERIC Educational Resources Information Center

Mullet, Etienne; Rulence-Paques, Patricia

1998-01-01

Adults, 9-year olds, and 5-year olds were shown horizontal and vertical lines of various sizes, presented on same wall or different walls, and asked to estimate corresponding area. Responses indicated that when width and height were separated, children gave same weight to both dimensions while adults gave greater weight to larger dimensions; when…

Stage Costumes for Girls.

ERIC Educational Resources Information Center

Greenhowe, Jean

This book contains full instructions for making 14 costumes for girls to fit any sizes up to about 147 cm (4 feet 10 inches) in height. All the garments can be made to fit any child's individual measurements without the need of complicated pattern pieces. Simple basic shapes such as rectangles and circles are used for the patterns and the only…

Redacting with Confidence: How to Safely Publish Sanitized Reports Converted from Word to PDF

DTIC Science & Technology

2006-02-02

select Insert->Picture-> Autoshapes from the top menu bar (this opens the AutoShapes toolbar). Select the rectangle from the Autoshapes toolbar as in... AutoShape from the menu as in Figure 6 (this opens the Format AutoShape dialog box), select the Size tab, enter the desired height and width of the

A Deduction of the Golden Spiral Equation via Powers of the Golden Ratio ?

ERIC Educational Resources Information Center

Zahn, Maurício

2017-01-01

This paper presents an interesting deduction of the Golden Spiral equation in a suitable polar coordinate system. For this purpose, the concepts of Golden Ratio and Golden Rectangle, and a significant result for the calculation of powers of the Golden Ratio ? using terms of the Fibonacci sequence are mentioned. Finally, various geometrical…

Biomineralization-inspired synthesis of functional organic/inorganic hybrid materials: organic molecular control of self-organization of hybrids.

PubMed

Arakaki, Atsushi; Shimizu, Katsuhiko; Oda, Mayumi; Sakamoto, Takeshi; Nishimura, Tatsuya; Kato, Takashi

2015-01-28

Organisms produce various organic/inorganic hybrid materials, which are called biominerals. They form through the self-organization of organic molecules and inorganic elements under ambient conditions. Biominerals often have highly organized and hierarchical structures from nanometer to macroscopic length scales, resulting in their remarkable physical and chemical properties that cannot be obtained by simple accumulation of their organic and inorganic constituents. These observations motivate us to create novel functional materials exhibiting properties superior to conventional materials--both synthetic and natural. Herein, we introduce recent progress in understanding biomineralization processes at the molecular level and the development of organic/inorganic hybrid materials by these processes. We specifically outline fundamental molecular studies on silica, iron oxide, and calcium carbonate biomineralization and describe material synthesis based on these mechanisms. These approaches allow us to design a variety of advanced hybrid materials with desired morphologies, sizes, compositions, and structures through environmentally friendly synthetic routes using functions of organic molecules.

Synchrotron-based X-ray Fluorescence Microscopy in Conjunction with Nanoindentation to Study Molecular-Scale Interactions of Phenol–Formaldehyde in Wood Cell Walls

Treesearch

Joseph E. Jakes; Christopher G. Hunt; Daniel J. Yelle; Linda Lorenz; Kolby Hirth; Sophie-Charlotte Gleber; Stefan Vogt; Warren Grigsby; Charles R. Frihart

2015-01-01

Understanding and controlling molecular-scale interactions between adhesives and wood polymers are critical to accelerate the development of improved adhesives for advanced wood-based materials. The submicrometer resolution of synchrotron-based X-ray fluorescence microscopy (XFM) was found capable of mapping and quantifying infiltration of Br-labeled phenol−...

Development of the Molecular Adsorber Coating for Spacecraft and Instrument Interiors

NASA Technical Reports Server (NTRS)

Abraham, Nithin

2011-01-01

On-orbit Molecular Contamination occurs when materials outgas and deposit onto very sensitive interior surfaces of the spacecraft and instruments. The current solution, Molecular Adsorber Pucks, has disadvantages, which are reviewed. A new innovative solution, Molecular Adsorber Coating (MAC), is currently being formulated, optimized, and tested. It is a sprayable alternative composed of Zeolite-based coating with adsorbing properties.

Effect of molecular conformation on the mechanofluorochromic properties based on DDIF

NASA Astrophysics Data System (ADS)

Mai, Runsheng; Peng, Huojun; Meng, Yuying; Chang, Xinyue; Jiang, Yue; Gao, Jinwei; Zhou, Guofu; Liu, Jun-ming

2017-07-01

Mechanofluorochromic (MFC) materials are smart materials in that their absorption and/or emission can respond to mechanical stimuli. They have received much attention recently. Although there have been several new material systems designed, little work has been done regarding the influence of molecular conformation on MFC properties. Herein, to disclose the relationship between molecular conformation and MFC properties, two molecules based on a 6, 12-Dihydro-6, 12-diaza-indeno[1,2-b]fluorine (DDIF) building block with thienyl linker, BDDIF-Th and BDDIF-BTh, have been designed and synthesized. Optical and electrochemical properties have been studied by UV-vis spectrometer and cyclic voltammetry measurements. Weak aggregation-induced emission (AIE) phenomena were obtained in the tetrahydrofuran (THF)/water solution. MFC behaviors suggest that BDDIF-Th is more sensible to the external mechanical forces than BDDIF-BTh. The color change could be attributed to the appearance of new emission peak instead of a bathochromic or hypsochromic effect. Theoretical calculations reveal that MFC performance is highly related to the molecular conformation, meaning that the BDDIF-BTh with perpendicular conformation is more difficult to flatten than the comparatively planar BDDIF-Th.

Thiophene-Based Organic Semiconductors.

PubMed

Turkoglu, Gulsen; Cinar, M Emin; Ozturk, Turan

2017-10-24

Thiophene-based π-conjugated organic small molecules and polymers are the research subject of significant current interest owing to their potential use as organic semiconductors in material chemistry. Despite simple and similar molecular structures, the hitherto reported properties of thiophene-based organic semiconductors are rather diverse. Design of high performance organic semiconducting materials requires a thorough understanding of inter- and intra-molecular interactions, solid-state packing, and the influence of both factors on the charge carrier transport. In this chapter, thiophene-based organic semiconductors, which are classified in terms of their chemical structures and their structure-property relationships, are addressed for the potential applications as organic photovoltaics (OPVs), organic field-effect transistors (OFETs) and organic light emitting diodes (OLEDs).

Surface sampling techniques for 3D object inspection

NASA Astrophysics Data System (ADS)

Shih, Chihhsiong S.; Gerhardt, Lester A.

1995-03-01

While the uniform sampling method is quite popular for pointwise measurement of manufactured parts, this paper proposes three novel sampling strategies which emphasize 3D non-uniform inspection capability. They are: (a) the adaptive sampling, (b) the local adjustment sampling, and (c) the finite element centroid sampling techniques. The adaptive sampling strategy is based on a recursive surface subdivision process. Two different approaches are described for this adaptive sampling strategy. One uses triangle patches while the other uses rectangle patches. Several real world objects were tested using these two algorithms. Preliminary results show that sample points are distributed more closely around edges, corners, and vertices as desired for many classes of objects. Adaptive sampling using triangle patches is shown to generally perform better than both uniform and adaptive sampling using rectangle patches. The local adjustment sampling strategy uses a set of predefined starting points and then finds the local optimum position of each nodal point. This method approximates the object by moving the points toward object edges and corners. In a hybrid approach, uniform points sets and non-uniform points sets, first preprocessed by the adaptive sampling algorithm on a real world object were then tested using the local adjustment sampling method. The results show that the initial point sets when preprocessed by adaptive sampling using triangle patches, are moved the least amount of distance by the subsequently applied local adjustment method, again showing the superiority of this method. The finite element sampling technique samples the centroids of the surface triangle meshes produced from the finite element method. The performance of this algorithm was compared to that of the adaptive sampling using triangular patches. The adaptive sampling with triangular patches was once again shown to be better on different classes of objects.

Benefits Analysis of Multi-Center Dynamic Weather Routes

NASA Technical Reports Server (NTRS)

Sheth, Kapil; McNally, David; Morando, Alexander; Clymer, Alexis; Lock, Jennifer; Petersen, Julien

2014-01-01

Dynamic weather routes are flight plan corrections that can provide airborne flights more than user-specified minutes of flying-time savings, compared to their current flight plan. These routes are computed from the aircraft's current location to a flight plan fix downstream (within a predefined limit region), while avoiding forecasted convective weather regions. The Dynamic Weather Routes automation has been continuously running with live air traffic data for a field evaluation at the American Airlines Integrated Operations Center in Fort Worth, TX since July 31, 2012, where flights within the Fort Worth Air Route Traffic Control Center are evaluated for time savings. This paper extends the methodology to all Centers in United States and presents benefits analysis of Dynamic Weather Routes automation, if it was implemented in multiple airspace Centers individually and concurrently. The current computation of dynamic weather routes requires a limit rectangle so that a downstream capture fix can be selected, preventing very large route changes spanning several Centers. In this paper, first, a method of computing a limit polygon (as opposed to a rectangle used for Fort Worth Center) is described for each of the 20 Centers in the National Airspace System. The Future ATM Concepts Evaluation Tool, a nationwide simulation and analysis tool, is used for this purpose. After a comparison of results with the Center-based Dynamic Weather Routes automation in Fort Worth Center, results are presented for 11 Centers in the contiguous United States. These Centers are generally most impacted by convective weather. A breakdown of individual Center and airline savings is presented and the results indicate an overall average savings of about 10 minutes of flying time are obtained per flight.

Methoxydiphenylamine-substituted fluorene derivatives as hole transporting materials: role of molecular interaction on device photovoltaic performance.

PubMed

Tiazkis, Robertas; Paek, Sanghyun; Daskeviciene, Maryte; Malinauskas, Tadas; Saliba, Michael; Nekrasovas, Jonas; Jankauskas, Vygintas; Ahmad, Shahzada; Getautis, Vytautas; Khaja Nazeeruddin, Mohammad

2017-03-10

The molecular structure of the hole transporting material (HTM) play an important role in hole extraction in a perovskite solar cells. It has a significant influence on the molecular planarity, energy level, and charge transport properties. Understanding the relationship between the chemical structure of the HTM's and perovskite solar cells (PSCs) performance is crucial for the continued development of the efficient organic charge transporting materials. Using molecular engineering approach we have constructed a series of the hole transporting materials with strategically placed aliphatic substituents to investigate the relationship between the chemical structure of the HTMs and the photovoltaic performance. PSCs employing the investigated HTMs demonstrate power conversion efficiency values in the range of 9% to 16.8% highlighting the importance of the optimal molecular structure. An inappropriately placed side group could compromise the device performance. Due to the ease of synthesis and moieties employed in its construction, it offers a wide range of possible structural modifications. This class of molecules has a great potential for structural optimization in order to realize simple and efficient small molecule based HTMs for perovskite solar cells application.

Monte Carlo simulation of ferroelectric domain growth

NASA Astrophysics Data System (ADS)

Li, B. L.; Liu, X. P.; Fang, F.; Zhu, J. L.; Liu, J.-M.

2006-01-01

The kinetics of two-dimensional isothermal domain growth in a quenched ferroelectric system is investigated using Monte Carlo simulation based on a realistic Ginzburg-Landau ferroelectric model with cubic-tetragonal (square-rectangle) phase transitions. The evolution of the domain pattern and domain size with annealing time is simulated, and the stability of trijunctions and tetrajunctions of domain walls is analyzed. It is found that in this much realistic model with strong dipole alignment anisotropy and long-range Coulomb interaction, the powerlaw for normal domain growth still stands applicable. Towards the late stage of domain growth, both the average domain area and reciprocal density of domain wall junctions increase linearly with time, and the one-parameter dynamic scaling of the domain growth is demonstrated.

Systematic study and comparison of photonic nanojets produced by dielectric microparticles in 2D- and 3D-spatial configurations

NASA Astrophysics Data System (ADS)

Geints, Yu E.; Zemlyanov, A. A.; Minin, O. V.; Minin, I. V.

2018-06-01

We present the systematic study of key characteristics (field intensity enhancement, spatial extents) of the 2D- and 3D-photonic nanojets (PNJs) produced by geometrically-regular micron-sized dielectric particles illuminated by a plane laser wave. By means of the finite-difference time-domain calculations, we highlight the differences and similarities between PNJs in these two spatial configurations for curved- (sphere, circular cylinder) and rectangle-shaped scatterers (cube, square bar). Our findings can be useful, for example, for the design of particle-based high-resolution imaging because the spatial resolution by such systems might be further controlled by the optimization of refractive index contrast and geometrical shape of the particle-lens.

Text Line Detection from Rectangle Traffic Panels of Natural Scene

NASA Astrophysics Data System (ADS)

Wang, Shiyuan; Huang, Linlin; Hu, Jian

2018-01-01

Traffic sign detection and recognition is very important for Intelligent Transportation. Among traffic signs, traffic panel contains rich information. However, due to low resolution and blur in the rectangular traffic panel, it is difficult to extract the character and symbols. In this paper, we propose a coarse-to-fine method to detect the Chinese character on traffic panels from natural scenes. Given a traffic panel Color Quantization is applied to extract candidate regions of Chinese characters. Second, a multi-stage filter based on learning is applied to discard the non-character regions. Third, we aggregate the characters for text lines by Distance Metric Learning method. Experimental results on real traffic images from Baidu Street View demonstrate the effectiveness of the proposed method.

Probing dynamics of micro-magnets with multi-mode superconducting resonator

NASA Astrophysics Data System (ADS)

Golovchanskiy, I. A.; Abramov, N. N.; Stolyarov, V. S.; Shchetinin, I. V.; Dzhumaev, P. S.; Averkin, A. S.; Kozlov, S. N.; Golubov, A. A.; Ryazanov, V. V.; Ustinov, A. V.

2018-05-01

In this work, we propose and explore a sensitive technique for investigation of ferromagnetic resonance and corresponding magnetic properties of individual micro-scaled and/or weak ferromagnetic samples. The technique is based on coupling the investigated sample to a high-Q transmission line superconducting resonator, where the response of the sample is studied at eigen frequencies of the resonator. The high quality factor of the resonator enables sensitive detection of weak absorption losses at multiple frequencies of the ferromagnetic resonance. Studying the microwave response of individual micro-scaled permalloy rectangles, we have confirmed the superiority of fluxometric demagnetizing factor over the commonly accepted magnetometric one and have depicted the demagnetization of the sample, as well as magnetostatic standing wave resonance.

SEM-induced shrinkage and site-selective modification of single-crystal silicon nanopores

NASA Astrophysics Data System (ADS)

Chen, Qi; Wang, Yifan; Deng, Tao; Liu, Zewen

2017-07-01

Solid-state nanopores with feature sizes around 5 nm play a critical role in bio-sensing fields, especially in single molecule detection and sequencing of DNA, RNA and proteins. In this paper we present a systematic study on shrinkage and site-selective modification of single-crystal silicon nanopores with a conventional scanning electron microscope (SEM). Square nanopores with measurable sizes as small as 8 nm × 8 nm and rectangle nanopores with feature sizes (the smaller one between length and width) down to 5 nm have been obtained, using the SEM-induced shrinkage technique. The analysis of energy dispersive x-ray spectroscopy and the recovery of the pore size and morphology reveal that the grown material along with the edge of the nanopore is the result of deposition of hydrocarbon compounds, without structural damage during the shrinking process. A simplified model for pore shrinkage has been developed based on observation of the cross-sectional morphology of the shrunk nanopore. The main factors impacting on the task of controllably shrinking the nanopores, such as the accelerating voltage, spot size, scanned area of e-beam, and the initial pore size have been discussed. It is found that single-crystal silicon nanopores shrink linearly with time under localized irradiation by SEM e-beam in all cases, and the pore shrinkage rate is inversely proportional to the initial equivalent diameter of the pore under the same e-beam conditions.

Segmented molecular design of self-healing proteinaceous materials

PubMed Central

Sariola, Veikko; Pena-Francesch, Abdon; Jung, Huihun; Çetinkaya, Murat; Pacheco, Carlos; Sitti, Metin; Demirel, Melik C.

2015-01-01

Hierarchical assembly of self-healing adhesive proteins creates strong and robust structural and interfacial materials, but understanding of the molecular design and structure–property relationships of structural proteins remains unclear. Elucidating this relationship would allow rational design of next generation genetically engineered self-healing structural proteins. Here we report a general self-healing and -assembly strategy based on a multiphase recombinant protein based material. Segmented structure of the protein shows soft glycine- and tyrosine-rich segments with self-healing capability and hard beta-sheet segments. The soft segments are strongly plasticized by water, lowering the self-healing temperature close to body temperature. The hard segments self-assemble into nanoconfined domains to reinforce the material. The healing strength scales sublinearly with contact time, which associates with diffusion and wetting of autohesion. The finding suggests that recombinant structural proteins from heterologous expression have potential as strong and repairable engineering materials. PMID:26323335

Segmented molecular design of self-healing proteinaceous materials

NASA Astrophysics Data System (ADS)

Sariola, Veikko; Pena-Francesch, Abdon; Jung, Huihun; Çetinkaya, Murat; Pacheco, Carlos; Sitti, Metin; Demirel, Melik C.

2015-09-01

Hierarchical assembly of self-healing adhesive proteins creates strong and robust structural and interfacial materials, but understanding of the molecular design and structure-property relationships of structural proteins remains unclear. Elucidating this relationship would allow rational design of next generation genetically engineered self-healing structural proteins. Here we report a general self-healing and -assembly strategy based on a multiphase recombinant protein based material. Segmented structure of the protein shows soft glycine- and tyrosine-rich segments with self-healing capability and hard beta-sheet segments. The soft segments are strongly plasticized by water, lowering the self-healing temperature close to body temperature. The hard segments self-assemble into nanoconfined domains to reinforce the material. The healing strength scales sublinearly with contact time, which associates with diffusion and wetting of autohesion. The finding suggests that recombinant structural proteins from heterologous expression have potential as strong and repairable engineering materials.

Segmented molecular design of self-healing proteinaceous materials.

PubMed

Sariola, Veikko; Pena-Francesch, Abdon; Jung, Huihun; Çetinkaya, Murat; Pacheco, Carlos; Sitti, Metin; Demirel, Melik C

2015-09-01

Hierarchical assembly of self-healing adhesive proteins creates strong and robust structural and interfacial materials, but understanding of the molecular design and structure-property relationships of structural proteins remains unclear. Elucidating this relationship would allow rational design of next generation genetically engineered self-healing structural proteins. Here we report a general self-healing and -assembly strategy based on a multiphase recombinant protein based material. Segmented structure of the protein shows soft glycine- and tyrosine-rich segments with self-healing capability and hard beta-sheet segments. The soft segments are strongly plasticized by water, lowering the self-healing temperature close to body temperature. The hard segments self-assemble into nanoconfined domains to reinforce the material. The healing strength scales sublinearly with contact time, which associates with diffusion and wetting of autohesion. The finding suggests that recombinant structural proteins from heterologous expression have potential as strong and repairable engineering materials.

Tagging and Purifying Proteins to Teach Molecular Biology and Advanced Biochemistry

ERIC Educational Resources Information Center

Roecklein-Canfield, Jennifer A.; Lopilato, Jane

2004-01-01

Two distinct courses, "Molecular Biology" taught by the Biology Department and "Advanced Biochemistry" taught by the Chemistry Department, complement each other and, when taught in a coordinated and integrated way, can enhance student learning and understanding of complex material. "Molecular Biology" is a comprehensive lecture-based course with a…

Molecular Diagnostics in Pathology: Time for a Next-Generation Pathologist?

PubMed

Fassan, Matteo

2018-03-01

- Comprehensive molecular investigations of mainstream carcinogenic processes have led to the use of effective molecular targeted agents in most cases of solid tumors in clinical settings. - To update readers regarding the evolving role of the pathologist in the therapeutic decision-making process and the introduction of next-generation technologies into pathology practice. - Current literature on the topic, primarily sourced from the PubMed (National Center for Biotechnology Information, Bethesda, Maryland) database, were reviewed. - Adequate evaluation of cytologic-based and tissue-based predictive diagnostic biomarkers largely depends on both proper pathologic characterization and customized processing of biospecimens. Moreover, increased requests for molecular testing have paralleled the recent, sharp decrease in tumor material to be analyzed-material that currently comprises cytology specimens or, at minimum, small biopsies in most cases of metastatic/advanced disease. Traditional diagnostic pathology has been completely revolutionized by the introduction of next-generation technologies, which provide multigene, targeted mutational profiling, even in the most complex of clinical cases. Combining traditional and molecular knowledge, pathologists integrate the morphological, clinical, and molecular dimensions of a disease, leading to a proper diagnosis and, therefore, the most-appropriate tailored therapy.

Shock Wave Propagation in Cementitious Materials at Micro/Meso Scales

NASA Astrophysics Data System (ADS)

Rajendran, Arunachalam

2015-06-01

The mechanical and constitutive response of materials like cement, and bio materials like fish scale and abalone shell is very complex due to heterogeneities that are inherently present in the nano and microstructures. The intrinsic constitutive behaviors are driven by the chemical composition and the molecular, micro, and meso structures. Therefore, it becomes important to identify the material genome as the building block for the material. For instance, in cementitious materials, the genome of C-S-H phase (the glue or the paste) that holds the various clinkers, such as the dicalcium silicate, tricalcium silicate, calcium ferroaluminates, and others is extremely complex. Often mechanical behaviors of C-S-H type materials are influenced by the chemistry and the structures at all nano to micro length scales. By explicitly modeling the molecular structures using appropriate potentials, it is then possible to compute the elastic tensor from molecular dynamics simulations using all atom method. The elastic tensors for the C-S-H gel and other clinkers are determined using the software suite ``Accelrys Materials Studio.'' A strain rate dependent, fracture mechanics based tensile damage model has been incorporated into ABAQUS finite element code to model spall evolution in the heterogeneous cementitious material with all constituents explicitly modeled through one micron element resolution. This paper presents results from nano/micro/meso scale analyses of shock wave propagation in a heterogeneous cementitious material using both molecular dynamic and finite element codes.

Materials and Manufacturing Technology Directorate Thermal Sciences and Materials Branch (Overview)

DTIC Science & Technology

2010-09-01

Molecular Mechanics for thermo-mechanical response Materials Characterization • CNT modified durable thermal interface ( DTI ) • MEMS-based RTD micro...stabilization. Surface Characterization by Atomic Force Microscopy: Probing Thermal, Electrical, and Mechanical Properties Heater Current Path Anchor Leg 50 µm

Molecular-Level Computational Investigation of Mechanical Transverse Behavior of p-Phenylene Terephthalamide (PPTA) Fibers

DTIC Science & Technology

2013-01-01

fabricated today are based on polymer matrix composites containing Kevlarw KM2 reinforcements , the present work will deal with generic PPTA fibers . In...Multi-length scale enriched continuum-level material model for Kevlarw- fiber reinforced polymer-matrix composites”, Journal of Materials...mechanical transverse behavior of p-phenylene terephthalamide (PPTA) fibers Purpose – A series of all-atom molecular-level computational analyses is

Si-doping bone composite based on protein template-mediated assembly for enhancing bone regeneration

NASA Astrophysics Data System (ADS)

Yang, Qin; Du, Yingying; Wang, Yifan; Wang, Zhiying; Ma, Jun; Wang, Jianglin; Zhang, Shengmin

2017-06-01

Bio-inspired hybrid materials that contain organic and inorganic networks interpenetration at the molecular level have been a particular focus of interest on designing novel nanoscale composites. Here we firstly synthesized a series of hybrid bone composites, silicon-hydroxyapatites/silk fibroin/collagen, based on a specific molecular assembled strategy. Results of material characterization confirmed that silicate had been successfully doped into nano-hydroxyapatite lattice. In vitro evaluation at the cellular level clearly showed that these Si-doped composites were capable of promoting the adhesion and proliferation of rat mesenchymal stem cells (rMSCs), extremely enhancing osteoblastic differentiation of rMSCs compared with silicon-free composite. More interestingly, we found there was a critical point of silicon content in the composition on regulating multiple cell behaviors. In vivo animal evaluation further demonstrated that Si-doped composites enabled to significantly improve the repair of cranial bone defect. Consequently, our current work not only suggests fabricating a potential bone repair materials by integrating element-doping and molecular assembled strategy in one system, but also paves a new way for constructing multi-functional composite materials in the future.

Mechanical features of various silkworm crystalline considering hydration effect via molecular dynamics simulations.

PubMed

Kim, Yoonjung; Lee, Myeongsang; Choi, Hyunsung; Baek, Inchul; Kim, Jae In; Na, Sungsoo

2018-04-01

Silk materials are receiving significant attention as base materials for various functional nanomaterials and nanodevices, due to its exceptionally high mechanical properties, biocompatibility, and degradable characteristics. Although crystalline silk regions are composed of various repetitive motifs with differing amino acid sequences, how the effect of humidity works differently on each of the motifs and their structural characteristics remains unclear. We report molecular dynamics (MD) simulations on various silkworm fibroins composed of major motifs (i.e. (GAGAGS) n , (GAGAGA) n , and (GAGAGY) n ) at varying degrees of hydration, and reveal how each major motifs of silk fibroins change at each degrees of hydration using MD simulations and their structural properties in mechanical perspective via steered molecular dynamics simulations. Our results explain what effects humidity can have on nanoscale materials and devices consisting of crystalline silk materials.

[Affine transformation-based automatic registration for peripheral digital subtraction angiography (DSA)].

PubMed

Kong, Gang; Dai, Dao-Qing; Zou, Lu-Min

2008-07-01

In order to remove the artifacts of peripheral digital subtraction angiography (DSA), an affine transformation-based automatic image registration algorithm is introduced here. The whole process is described as follows: First, rectangle feature templates are constructed with their centers of the extracted Harris corners in the mask, and motion vectors of the central feature points are estimated using template matching technology with the similarity measure of maximum histogram energy. And then the optimal parameters of the affine transformation are calculated with the matrix singular value decomposition (SVD) method. Finally, bilinear intensity interpolation is taken to the mask according to the specific affine transformation. More than 30 peripheral DSA registrations are performed with the presented algorithm, and as the result, moving artifacts of the images are removed with sub-pixel precision, and the time consumption is less enough to satisfy the clinical requirements. Experimental results show the efficiency and robustness of the algorithm.

A Historical Note on the Proof of the Area of a Circle

ERIC Educational Resources Information Center

Wilamowsky, Yonah; Epstein, Sheldon; Dickman, Bernard

2011-01-01

Proofs that the area of a circle is nr[superscript 2] can be found in mathematical literature dating as far back as the time of the Greeks. The early proofs, e.g. Archimedes, involved dividing the circle into wedges and then fitting the wedges together in a way to approximate a rectangle. Later more sophisticated proofs relied on arguments…

Monolithic Laser.

DTIC Science & Technology

1977-09-01

procedures that could be effectively used . Neither chemical nor in situ vapor etch techniques alleviated these problems. The presence of M in the top...mask consisting of rectangles 300 um x 200 urn. The crystal is then chemically etched in two steps. First, a calibrated Na0H:H.0. 39 etch ^ is used ... fabricated (including optical cavity formation) monolithically using conventional photolithographic fabrication technology. This development is a

Wheels Don't Have to Be Round

ERIC Educational Resources Information Center

Laird, Shirley

2012-01-01

Every year, the author's eighth-graders do some projects on color mixing and color schemes. In this article, the author gives a twist to the basic color wheel. Using rough-draft paper the same size as the paper they would eventually work on, students were to figure out a way to divide it into six spaces. They were not limited to basic rectangles,…

Nondestructive Quantitative Sampling for Freshwater Mussels in Variable Substrate Streams

Treesearch

John B. Richardson; Winston Paul Smith

1994-01-01

Unionidmussels were sampled in the Big South Fork of the Cumberland River, Tennessee and Kentucky, from July to October 1988 with a chain grid of10 l-m2 quadrats. The chain grid was used to define 100-m2 areas along the stream bed by repeatedly moving the10-m2 rectangle upstream. Within each100-m

Children's Conceptions of Area Measurement and Their Strategies for Solving Area Measurement Problems

ERIC Educational Resources Information Center

Huang, Hsin-Mei E.; Witz, Klaus G.

2013-01-01

This study investigated children's understanding of area measurement, including the concept of area and the area formula of a rectangle, as well as their strategic knowledge for solving area measurement problems. Twenty-two fourth-graders from three classes of a public elementary school in Taipei, Taiwan, participated in a one-on-one interview.…

46 CFR 160.072-3 - General performance requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

....072-3 General performance requirements. (a) Each flag must: (1) Be a square or rectangle at least 90... colored a bright red-orange color; (3) Display a black disc and a black square on the red-orange... square shall be equal, and shall each be 1/3 of the length of the longest side of the flag, or 30 cm (12...

46 CFR 160.072-3 - General performance requirements.

Code of Federal Regulations, 2012 CFR

2012-10-01

....072-3 General performance requirements. (a) Each flag must: (1) Be a square or rectangle at least 90... colored a bright red-orange color; (3) Display a black disc and a black square on the red-orange... square shall be equal, and shall each be 1/3 of the length of the longest side of the flag, or 30 cm (12...

46 CFR 160.072-3 - General performance requirements.

Code of Federal Regulations, 2013 CFR

2013-10-01

....072-3 General performance requirements. (a) Each flag must: (1) Be a square or rectangle at least 90... colored a bright red-orange color; (3) Display a black disc and a black square on the red-orange... square shall be equal, and shall each be 1/3 of the length of the longest side of the flag, or 30 cm (12...

46 CFR 160.072-3 - General performance requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

....072-3 General performance requirements. (a) Each flag must: (1) Be a square or rectangle at least 90... colored a bright red-orange color; (3) Display a black disc and a black square on the red-orange... square shall be equal, and shall each be 1/3 of the length of the longest side of the flag, or 30 cm (12...

46 CFR 160.072-3 - General performance requirements.

Code of Federal Regulations, 2014 CFR

2014-10-01

....072-3 General performance requirements. (a) Each flag must: (1) Be a square or rectangle at least 90... colored a bright red-orange color; (3) Display a black disc and a black square on the red-orange... square shall be equal, and shall each be 1/3 of the length of the longest side of the flag, or 30 cm (12...

Enhancement of the Computer Lumber Grading Program to Support Polygonal Defects

Treesearch

Powsiri Klinkhachorn; R. Kathari; D. Yost; Philip A. Araman

1993-01-01

Computer grading of hardwood lumber promises to avoid regrading of the same lumber because of disagreements between the buyer and the seller. However, the first generation of computer programs for hardwood lumber grading simplify the process by modeling defects on the board as rectangles. This speeds up the grading process buy can inadvertently put a board into a lower...

Quantitatively analyzing the mechanism of giant circular dichroism in extrinsic plasmonic chiral nanostructures by tracking the interplay of electric and magnetic dipoles.

PubMed

Hu, Li; Tian, Xiaorui; Huang, Yingzhou; Fang, Liang; Fang, Yurui

2016-02-14

Plasmonic chirality has drawn much attention because of tunable circular dichroism (CD) and the enhancement for chiral molecule signals. Although various mechanisms have been proposed to explain the plasmonic CD, a quantitative explanation like the ab initio mechanism for chiral molecules, is still unavailable. In this study, a mechanism similar to the mechanisms associated with chiral molecules was analyzed. The giant extrinsic circular dichroism of a plasmonic splitting rectangle ring was quantitatively investigated from a theoretical standpoint. The interplay of the electric and magnetic modes of the meta-structure is proposed to explain the giant CD. We analyzed the interplay using both an analytical coupled electric-magnetic dipole model and a finite element method model. The surface charge distributions showed that the circular current yielded by the splitting rectangle ring causes the ring to behave like a magneton at some resonant modes, which then interact with the electric modes, resulting in a mixing of the two types of modes. The strong interplay of the two mode types is primarily responsible for the giant CD. The analysis of the chiral near-field of the structure shows potential applications for chiral molecule sensing.

Automated Planar Tracking the Waving Bodies of Multiple Zebrafish Swimming in Shallow Water.

PubMed

Wang, Shuo Hong; Cheng, Xi En; Qian, Zhi-Ming; Liu, Ye; Chen, Yan Qiu

2016-01-01

Zebrafish (Danio rerio) is one of the most widely used model organisms in collective behavior research. Multi-object tracking with high speed camera is currently the most feasible way to accurately measure their motion states for quantitative study of their collective behavior. However, due to difficulties such as their similar appearance, complex body deformation and frequent occlusions, it is a big challenge for an automated system to be able to reliably track the body geometry of each individual fish. To accomplish this task, we propose a novel fish body model that uses a chain of rectangles to represent fish body. Then in detection stage, the point of maximum curvature along fish boundary is detected and set as fish nose point. Afterwards, in tracking stage, we firstly apply Kalman filter to track fish head, then use rectangle chain fitting to fit fish body, which at the same time further judge the head tracking results and remove the incorrect ones. At last, a tracklets relinking stage further solves trajectory fragmentation due to occlusion. Experiment results show that the proposed tracking system can track a group of zebrafish with their body geometry accurately even when occlusion occurs from time to time.

Quantum transport in chaotic and integrable ballistic cavities with tunable shape

NASA Astrophysics Data System (ADS)

Lee, Y.; Faini, G.; Mailly, D.

1997-10-01

We have performed magnetotransport measurements in ballistic cavities and obtained the average by small modulations on the shapes and/or on the Fermi level. We work with cavities whose underlying classical dynamics is chaotic (stadia and Sinaï billiards) and integrable (circles and rectangles). The former show a Lorentzian weak-localization peak, in agreement with semiclassical predictions and other averaging methods that have been used in recent measurements. For integrable cavities our measurements show that the shape of the weak localization is very sensitive to the exact geometry of the sample: a linear magnetoconductance has been observed for rectangles as expected by the theory for integrable cavities, whereas for circles the shape is always Lorentzian. These discrepancies illustrate the nongeneric behavior of scattering through integrable geometries, that we analyze taking into account the interplay of integrability with smooth disorder and geometrical effects. The power spectra of the conductance fluctuations are also analyzed, the deduced typical areas are in good agreement with those obtained from the weak localization. Periodic orbits in nonaveraged Fourier transforms of the magnetoconductance for regular cavities are clearly identified indicating the good quality of our samples.

Pupillary correlates of covert shifts of attention during working memory maintenance.

PubMed

Unsworth, Nash; Robison, Matthew K

2017-04-01

The pupillary light reflex (PLR) was used to track covert shifts of attention to items maintained in visual working memory (VWM). In three experiments, participants performed a change detection task in which rectangles appeared on either side of fixation and at test participants indicated if the cued rectangle changed its orientation. Prior to presentation or during the delay, participants were cued to the light or dark side of the screen. When cued to the light side, the pupil constricted, and when cued to the dark side, the pupil dilated, suggesting that the PLR tracked covert shifts of attention. Similar covert shifts of attention were seen when the target stimuli remained onscreen and during a blank delay period, suggesting similar effects for attention to perceptual stimuli and attention to stimuli maintained in VWM. Furthermore, similar effects were demonstrated when participants were pre-cued or retro-cued to the prioritized location, suggesting that shifts of covert attention can occur both before and after target presentation. These results are consistent with prior research, suggesting an important role of covert shifts of attention during VWM maintenance and that the PLR can be used to track these covert shifts of attention.

Rectangle-capped and tilted micropillar array for enhanced anisotropic anti-shearing in biomimetic adhesion

PubMed Central

Wang, Yue; Li, Xiangming; Tian, Hongmiao; Hu, Hong; Tian, Yu; Shao, Jinyou; Ding, Yucheng

2015-01-01

Dry adhesion observed in the feet of various small creatures has attracted considerable attention owing to the unique advantages such as self-cleaning, adaptability to rough surfaces along with repeatable and reversible adhesiveness. Among these advantages, for practical applications, proper detachability is critical for dry adhesives with artificial microstructures. In this study, we present a microstructured array consisting of both asymmetric rectangle-capped tip and tilted shafts, which produce an orthogonal anisotropy of the shearing strength along the long and short dimensions of the tip, with a maximum anti-shearing in the two directions along the longer dimension. Meanwhile, the tilt feature can enhance anisotropic shearing adhesion by increasing shearing strength in the forward shearing direction and decreasing strength in the reverse shearing direction along the short dimension of the tip, leading to a minimum anti-shearing in only one of the two directions along the shorter dimension of the rectangular tip. Such a microstructured adhesive with only one weak shearing direction, leading to well-controlled attachment and detachment of the adhesive, is created in our experiment by conventional double-sided exposure of a photoresist followed by a moulding process. PMID:25808338

Automated Planar Tracking the Waving Bodies of Multiple Zebrafish Swimming in Shallow Water

PubMed Central

Wang, Shuo Hong; Cheng, Xi En; Qian, Zhi-Ming; Liu, Ye; Chen, Yan Qiu

2016-01-01

Zebrafish (Danio rerio) is one of the most widely used model organisms in collective behavior research. Multi-object tracking with high speed camera is currently the most feasible way to accurately measure their motion states for quantitative study of their collective behavior. However, due to difficulties such as their similar appearance, complex body deformation and frequent occlusions, it is a big challenge for an automated system to be able to reliably track the body geometry of each individual fish. To accomplish this task, we propose a novel fish body model that uses a chain of rectangles to represent fish body. Then in detection stage, the point of maximum curvature along fish boundary is detected and set as fish nose point. Afterwards, in tracking stage, we firstly apply Kalman filter to track fish head, then use rectangle chain fitting to fit fish body, which at the same time further judge the head tracking results and remove the incorrect ones. At last, a tracklets relinking stage further solves trajectory fragmentation due to occlusion. Experiment results show that the proposed tracking system can track a group of zebrafish with their body geometry accurately even when occlusion occurs from time to time. PMID:27128096

`Hardcastle Hollows' in loess landforms: Closed depressions in aeolian landscapes - in a geoheritage context

NASA Astrophysics Data System (ADS)

Fagg, Roger; Smalley, Ian

2018-04-01

Loess landscapes sometimes contain isolated depressed areas, which often appear as lakes. The outline shape (and distribution) of these depressions could be controlled by random processes, particularly if the depressions are caused by loess hydroconsolidation and ground subsidence. By applying the Zingg system of shape classification it is possible to propose a mean random shape for the closed depressions. A Zingg rectangle with a side ratio of about 2:1 is produced by a very simple Monte Carlo method, which had been used previously to calculate the mean random shape of a loess particle. The Zingg rectangle indicates the basic shape of the mean closed depression. A simple four stage process for the formation of the depressions is proposed. They might be called `Hardcastle Hollows' in honour of John Hardcastle who first reported them, in New Zealand. Studies on Ukrainian deposits suggest that there might be some stratigraphic value in the observation of closed depressions; they are often not superimposed in successive depositions of loess. Hydroconsolidation is important in landscape processes. The hollows provide interesting habitats and enlarge the ecological interest of loess deposits; the geoheritage scene is enhanced.

Control of DNA hybridization by photoswitchable molecular glue.

PubMed

Dohno, Chikara; Nakatani, Kazuhiko

2011-12-01

Hybridization of DNA is one of the most intriguing events in molecular recognition and is essential for living matter to inherit life beyond generations. In addition to the function of DNA as genetic material, DNA hybridization is a key to control the function of DNA-based materials in nanoscience. Since the hybridization of two single stranded DNAs is a thermodynamically favorable process, dissociation of the once formed DNA duplex is normally unattainable under isothermal conditions. As the progress of DNA-based nanoscience, methodology to control the DNA hybridization process has become increasingly important. Besides many reports using the chemically modified DNA for the regulation of hybridization, we focused our attention on the use of a small ligand as the molecular glue for the DNA. In 2001, we reported the first designed molecule that strongly and specifically bound to the mismatched base pairs in double stranded DNA. Further studies on the mismatch binding molecules provided us a key discovery of a novel mode of the binding of a mismatch binding ligand that induced the base flipping. With these findings we proposed the concept of molecular glue for DNA for the unidirectional control of DNA hybridization and, eventually photoswitchable molecular glue for DNA, which enabled the bidirectional control of hybridization under photoirradiation. In this tutorial review, we describe in detail how we integrated the mismatch binding ligand into photoswitchable molecular glue for DNA, and the application and perspective in DNA-based nanoscience.

Synthesis, Characterization, and Multimillion-Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat

DTIC Science & Technology

2013-04-01

DTRA-TR-13-23 Synthesis, Characterization, and Multimillion -Atom Simulation of Halogen-Based Energetic Materials for Agent Defeat Approved for...reagents for the destruction of biologically active materials and a simulation of their reactions on a multimillion atom scale with quantum...explosives for destruction of chemical & biological agents. Multimillion -atom molecular dynamics simulations with quantum mechanical accuracy were

Advantages of using molecular coancestry in the removal of introgressed genetic material

PubMed Central

2013-01-01

Background When introgression of undesired exogenous genetic material occurs in a population intended to remain pure, actions are necessary to recover the original background. It has been shown that genome-wide information can replace pedigree information for different objectives and is a valuable tool in the fields of genetic conservation and breeding. In this simulation study, molecular information provided by 50 000 SNP was used to minimise the molecular coancestry between individuals of an admixed population and the foreign individuals that originally introgressed a native population in order to remove the exogenous DNA. Results This management method, which detects the ‘purest’ individuals to be used as parents for the next generation, allowed recovery of the native genetic background to a great extent in all simulated scenarios. However, it also caused an increase in inbreeding larger than expected because of the lower number of individuals selected as parents and the higher coancestry between them. In scenarios involving several introgression events the method was more efficient than in those involving a single introgression event because part of the genetic information was mixed with the native genetic material for a shorter period. Conclusions Genome-wide information can be used to identify the purest individuals via the minimisation of molecular coancestry between individuals of the admixed and exogenous populations. Removal of the undesired genetic material is more efficient with a molecular-based approach than with a pedigree-based approach. PMID:23634969

Processing and characterization of novel biobased and biodegradable materials

NASA Astrophysics Data System (ADS)

Pilla, Srikanth

Human society has benefited tremendously from the use of petroleum-based plastics. However, there are growing concerns with their adverse environmental impacts and volatile costs attributed to the skyrocketing oil prices. Additionally most of the petroleum-based polymers are non-biodegradable causing problems about their disposal. Thus, during the last couple of decades, scientists ail over the world have been focusing on developing new polymeric materials that are biobased and biodegradable, also termed as green plastics . This study aims to develop green materials based on polylactide (PLA) biopolymer that can be made from plants. Although PLA can provide important advantages in terms of sustainability and biodegradability, it has its own challenges such as high cost, brittleness, and narrow processing window. These challenges are addressed in this study by investigating both new material formulations and processes. To improve the material properties and control the material costs, PLA was blended with various fillers and modifiers. The types of fillers investigated include carbon nanotube (CNT) nanoparticles and various natural fibers such as pine-wood four, recycled-wood fibers and flax fiber. Using natural fibers as fillers for PLA can result in fully biodegradable and eco-friendly biocomposites. Also due to PLA's sensitivity to moisture and temperature, molecular degradation can occur during processing leading to inferior material properties. To address this issue, one of the approaches adopted by this study was to incorporate a multifunctional chain-extender into PLA, which increased the molecular weight of PLA thereby improving the material properties. To improve the processability and reduce the material cost, both microcellular injection molding and extrusion processes have been studied. The microcellular technology allows the materials to be processed at a lower temperature, which is attractive for thermo- and moisture-sensitive materials like PLA. They are also capable of mass-producing foamed plastics with less material and less energy. Injection-molded or extruded components based on a number of different formulations were characterized extensively using various techniques such as tensile testing, dynamical mechanical analysis, differential scanning calorimetry, thermogravimetric analysis, electron microscopy (scanning and transmission), and density and molecular weight measurement, etc. Ultimately, the composition-processing-structure-property relationships in five material systems have been established.

Computational assessment of organic photovoltaic candidate compounds

NASA Astrophysics Data System (ADS)

Borunda, Mario; Dai, Shuo; Olivares-Amaya, Roberto; Amador-Bedolla, Carlos; Aspuru-Guzik, Alan

2015-03-01

Organic photovoltaic (OPV) cells are emerging as a possible renewable alternative to petroleum based resources and are needed to meet our growing demand for energy. Although not as efficient as silicon based cells, OPV cells have as an advantage that their manufacturing cost is potentially lower. The Harvard Clean Energy Project, using a cheminformatic approach of pattern recognition and machine learning strategies, has ranked a molecular library of more than 2.6 million candidate compounds based on their performance as possible OPV materials. Here, we present a ranking of the top 1000 molecules for use as photovoltaic materials based on their optical absorption properties obtained via time-dependent density functional theory. This computational search has revealed the molecular motifs shared by the set of most promising molecules.

Solid surface vs. liquid surface: nanoarchitectonics, molecular machines, and DNA origami.

PubMed

Ariga, Katsuhiko; Mori, Taizo; Nakanishi, Waka; Hill, Jonathan P

2017-09-13

The investigation of molecules and materials at interfaces is critical for the accumulation of new scientific insights and technological advances in the chemical and physical sciences. Immobilization on solid surfaces permits the investigation of different properties of functional molecules or materials with high sensitivity and high spatial resolution. Liquid surfaces also present important media for physicochemical innovation and insight based on their great flexibility and dynamicity, rapid diffusion of molecular components for mixing and rearrangements, as well as drastic spatial variation in the prevailing dielectric environment. Therefore, a comparative discussion of the relative merits of the properties of materials when positioned at solid or liquid surfaces would be informative regarding present-to-future developments of surface-based technologies. In this perspective article, recent research examples of nanoarchitectonics, molecular machines, DNA nanotechnology, and DNA origami are compared with respect to the type of surface used, i.e. solid surfaces vs. liquid surfaces, for future perspectives of interfacial physics and chemistry.

Modulation of spatial Stroop by object-based attention but not by space-based attention.

PubMed

Luo, Chunming; Lupiáñez, Juan; Funes, María Jesús; Fu, Xiaolan

2010-03-01

Earlier studies have shown that the spatial Stroop effect systematically decreases when a peripheral precue is presented at the same location as the target, compared to an uncued location condition. In this study, two experiments were conducted to explore whether the cueing modulation of spatial Stroop is object based and/or space based. In Experiment 1, we found evidence favouring the view that the cueing modulation of the spatial Stroop effect is entirely object based, as no differences were found in conflict reduction for the same-location and same-object conditions. In Experiment 2, the cue was predictive, and a similar object-based modulation of spatial Stroop was still observed. However, the direction of such modulation was affected by the rectangles' orientation. Overall, the pattern of results obtained favours the object-integration (Lupiáñez & Milliken, 1999; Lupiáñez, Milliken, Solano, Weaver, & Tipper, 2001) and referential-coding accounts (Danziger, Kingstone, & Ward, 2001) and seems to provide evidence against the attention-shift account (Rubichi, Nicoletti, Iani, & Umilta, 1997; Stoffer, 1991).

Metrology test object for dimensional verification in additive manufacturing of metals for biomedical applications.

PubMed

Teeter, Matthew G; Kopacz, Alexander J; Nikolov, Hristo N; Holdsworth, David W

2015-01-01

Additive manufacturing continues to increase in popularity and is being used in applications such as biomaterial ingrowth that requires sub-millimeter dimensional accuracy. The purpose of this study was to design a metrology test object for determining the capabilities of additive manufacturing systems to produce common objects, with a focus on those relevant to medical applications. The test object was designed with a variety of features of varying dimensions, including holes, cylinders, rectangles, gaps, and lattices. The object was built using selective laser melting, and the produced dimensions were compared to the target dimensions. Location of the test objects on the build plate did not affect dimensions. Features with dimensions less than 0.300 mm did not build or were overbuilt to a minimum of 0.300 mm. The mean difference between target and measured dimensions was less than 0.100 mm in all cases. The test object is applicable to multiple systems and materials, tests the effect of location on the build, uses a minimum of material, and can be measured with a variety of efficient metrology tools (including measuring microscopes and micro-CT). Investigators can use this test object to determine the limits of systems and adjust build parameters to achieve maximum accuracy. © IMechE 2014.

A review on chemical methodologies for preparation of mesoporous silica and alumina based materials.

PubMed

Naik, Bhanudas; Ghosh, Narendra Nath

2009-01-01

The discovery of novel family of molecular sieves called M41S aroused a worldwide resurgence in the field of porous materials. According to IUPAC definition inorganic solids that contain pores with diameter in the size range of 20-500 A are considered mesoporous materials. Mesoporous silica and alumina based materials find applications in catalysis, adsorption, host- guest encapsulation etc. This article reviews the current state of art and outline the recent patents in mesoporous materials research in three general areas: Synthesis, various mechanisms involved for porous structure formation and applications of silica and alumina based mesoporous materials.

Nano-Sized Cyclodextrin-Based Molecularly Imprinted Polymer Adsorbents for Perfluorinated Compounds—A Mini-Review

PubMed Central

Karoyo, Abdalla H.; Wilson, Lee D.

2015-01-01

Recent efforts have been directed towards the design of efficient and contaminant selective remediation technology for the removal of perfluorinated compounds (PFCs) from soils, sediments, and aquatic environments. While there is a general consensus on adsorption-based processes as the most suitable methodology for the removal of PFCs from aquatic environments, challenges exist regarding the optimal materials design of sorbents for selective uptake of PFCs. This article reviews the sorptive uptake of PFCs using cyclodextrin (CD)-based polymer adsorbents with nano- to micron-sized structural attributes. The relationship between synthesis of adsorbent materials and their structure relate to the overall sorption properties. Hence, the adsorptive uptake properties of CD-based molecularly imprinted polymers (CD-MIPs) are reviewed and compared with conventional MIPs. Further comparison is made with non-imprinted polymers (NIPs) that are based on cross-linking of pre-polymer units such as chitosan with epichlorohydrin in the absence of a molecular template. In general, MIPs offer the advantage of selectivity, chemical tunability, high stability and mechanical strength, ease of regeneration, and overall lower cost compared to NIPs. In particular, CD-MIPs offer the added advantage of possessing multiple binding sites with unique physicochemical properties such as tunable surface properties and morphology that may vary considerably. This mini-review provides a rationale for the design of unique polymer adsorbent materials that employ an intrinsic porogen via incorporation of a macrocyclic compound in the polymer framework to afford adsorbent materials with tunable physicochemical properties and unique nanostructure properties. PMID:28347047

Grinding Wheel Profile

NASA Technical Reports Server (NTRS)

2004-01-01

This graphic dubbed by engineers as the 'Grinding Wheel Profile' is the detective's tool used by the Opportunity team to help them understand one of the processes that formed the interior of a rock called 'McKittrick.' Scientists are looking for clues as to how layers, grains and minerals helped create this rock, and the engineers who built the rock abrasion tool (RAT) wanted to ensure that their instrument's handiwork did not get confused with natural processes.

In the original microscopic image underlaying the graphics, engineers and scientists noticed 'layers' or 'scratches' on the spherical object nicknamed 'blueberry' in the lower right part of the image. The designers of the rock abrasion tool noticed that the arc length and width of the scratches were similar to the shape and size of the rock abrasion tool's grinding wheel, which is made out of a pad of diamond teeth.

The scrapes on the bottom right blueberry appear to be caused by the fact that the berry got dislodged slightly and its surface was scraped with the grinding pad. In this image, the largest yellow circle is the overall diameter of the hole ground by the rock abrasion tool and the largest yellow rectangular shape is the area of the grinding wheel bit. The smaller yellow semi-circle is the path that the center of the grinding tool follows. The orange arrow arcing around the solid yellow circle (center of grinding tool) indicates the direction that the grinding tool spins around its own center at 3,000 revolutions per minute. The tool simultaneously spins in an orbit around the center of the hole, indicated by the larger orange arrow to the left.

The grinding tool is 22 millimeters (0.9 inches) in length and the actual grinding surface, which consists of the diamond pad, is 1.5 millimeters (0.06 inches) in length, indicated by the two smaller rectangles. You can see that the smaller bottom rectangle fits exactly the width of the scrape marks.

The grooves on the blueberry are also the same as the curvature of the arced pathway in which the grinding tool spins.

By overlaying appropriately scaled representations of the rock abrasion tool schematics, the evidence reveals a strong indication that the scrapes on the blueberry were induced by the tool, rather than caused by some natural geologic process.

The two rectangular boxes in the lower left and upper middle parts of this image are 'drop outs,' where the data packets inadvertently did not make it back to Earth during the initial communications relay via the Deep Space Network antennas. The missing data packets should be resent to Earth within the next few days. Just above each of the black 'drop out' rectangles is another rectangular area filled with a cluster of smaller rectangles in different shades of gray, which are image compression artifacts.

The rock abrasion tools on both Mars Exploration Rovers were supplied by Honeybee Robotics, New York, N.Y.

Relating the structure of geminal amido esters to their molecular hyperpolarizability

DOE PAGES

Cole, Jacqueline M.; Lin, Tze -Chia; Ashcroft, Christopher M.; ...

2016-12-05

Advanced organic non-linear optical (NLO) materials have attracted increasing attention due to their multitude of applications in modern telecommunication devices. Arguably the most important advantage of organic NLO materials, relative to traditionally used inorganic NLO materials, is their short optical response time. Geminal amido esters with their donor-x-acceptor (D-π-A) architecture exhibit high levels of electron delocalization and substantial intramolecular charge transfer, which should endow these materials with short optical response times and large molecular (hyper)polarizabilities. In order to test this hypothesis, the linear and second-order non-linear optical properties of five geminal amido esters, ( E)-ethyl 3-(X-phenylamino)-2-(Y-phenylcarbamoyl)acrylate (1: X = 4-H,Ymore » = 4-H; 2: X= 4-CH 3, Y = 4-CH 3; 3: X = 4-NO 2, Y = 2,5-OCH 3; 4: X = 2-Cl, Y = 2-Cl; 5: X = 4-Cl, Y = 4-Cl) were synthesized and characterized, whereby NLO structure-function relationships were established including intramolecular charge transfer characteristics, crystal field effects, and molecular first hyperpolarizabilities β. Given the typically large errors (10-30%) associated with the determination of (β) coefficients, three independent methods were used: i) density functional theory, ii) hyper-Rayleigh scattering, and iii) high-resolution X-ray diffraction data analysis based on multipolar modeling of electron densities at each atom. These three methods delivered consistent values of β, and based on these results, 3 should hold the most promise for NLO applications. In conclusion, the correlation between the molecular structure of these geminal amido esters and their linear and non-linear optical properties thus provide molecular design guidelines for organic NLO materials; this leads to the ultimate goal of generating bespoke organic molecules to suit a given NLO device application.« less

All-Solid-State UV Transmitter Development for Ozone Sensing Applications

NASA Technical Reports Server (NTRS)

Prasad, Narasimha S.; Singh, Upendra N.; Armstrong, Darrell Jr.

2009-01-01

In this paper, recent progress made in the development of an all-solid-state UV transmitter suitable for ozone sensing applications from space based platforms is discussed. A nonlinear optics based UV setup based on Rotated Image Singly Resonant Twisted Rectangle (RISTRA) optical parametric oscillator (OPO) module was effectively coupled to a diode pumped, single longitudinal mode, conductively cooled, short-pulsed, high-energy Nd:YAG laser operating at 1064 nm with 50 Hz PRF. An estimated 10 mJ/pulse with 10% conversion efficiency at 320 nm has been demonstrated limited only by the pump pulse spatial profile. The current arrangement has the potential for obtaining greater than 200 mJ/pulse. Previously, using a flash-lamp pumped Nd:YAG laser with round, top-hat profile, up to 24% IR-UV conversion efficiency was achieved with the same UV module. Efforts are underway to increase the IR-UV conversion efficiency of the all solid-state setup by modifying the pump laser spatial profile along with incorporating improved OPO crystals.

Non-Adiabatic Molecular Dynamics Methods for Materials Discovery

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

Furche, Filipp; Parker, Shane M.; Muuronen, Mikko J.

2017-04-04

The flow of radiative energy in light-driven materials such as photosensitizer dyes or photocatalysts is governed by non-adiabatic transitions between electronic states and cannot be described within the Born-Oppenheimer approximation commonly used in electronic structure theory. The non-adiabatic molecular dynamics (NAMD) methods based on Tully surface hopping and time-dependent density functional theory developed in this project have greatly extended the range of molecular materials that can be tackled by NAMD simulations. New algorithms to compute molecular excited state and response properties efficiently were developed. Fundamental limitations of common non-linear response methods were discovered and characterized. Methods for accurate computations ofmore » vibronic spectra of materials such as black absorbers were developed and applied. It was shown that open-shell TDDFT methods capture bond breaking in NAMD simulations, a longstanding challenge for single-reference molecular dynamics simulations. The methods developed in this project were applied to study the photodissociation of acetaldehyde and revealed that non-adiabatic effects are experimentally observable in fragment kinetic energy distributions. Finally, the project enabled the first detailed NAMD simulations of photocatalytic water oxidation by titania nanoclusters, uncovering the mechanism of this fundamentally important reaction for fuel generation and storage.« less

Mesoporous Silica Molecular Sieve based Nanocarriers: Transpiring Drug Dissolution Research.

PubMed

Pattnaik, Satyanarayan; Pathak, Kamla

2017-01-01

Improvement of oral bioavailability through enhancement of dissolution for poorly soluble drugs has been a very promising approach. Recently, mesoporous silica based molecular sieves have demonstrated excellent properties to enhance the dissolution velocity of poorly water-soluble drugs. Current research in this area is focused on investigating the factors influencing the drug release from these carriers, the kinetics of drug release and manufacturing approaches to scale-up production for commercial manufacture. This comprehensive review provides an overview of different methods adopted for synthesis of mesoporous materials, influence of processing factors on properties of these materials and drug loading methods. The drug release kinetics from mesoporous silica systems, the manufacturability and stability of these formulations are reviewed. Finally, the safety and biocompatibility issues related to these silica based materials are discussed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Assembly of barcode-like nucleic acid nanostructures.

PubMed

Wang, Pengfei; Tian, Cheng; Li, Xiang; Mao, Chengde

2014-10-15

Barcode-like (BC) nanopatterns from programmed self-assembly of nucleic acids (DNA and RNA) are reported. BC nanostructures are generated by the introduction of open spaces at selected sites to an otherwise closely packed, plain, rectangle nucleic acid nanostructure. This strategy is applied to nanostructures assembled from both origami approach and single stranded tile approach. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Domain decomposition preconditioners for the spectral collocation method

NASA Technical Reports Server (NTRS)

Quarteroni, Alfio; Sacchilandriani, Giovanni

1988-01-01

Several block iteration preconditioners are proposed and analyzed for the solution of elliptic problems by spectral collocation methods in a region partitioned into several rectangles. It is shown that convergence is achieved with a rate which does not depend on the polynomial degree of the spectral solution. The iterative methods here presented can be effectively implemented on multiprocessor systems due to their high degree of parallelism.

Area-Efficient Graph Layouts (for VLSI).

DTIC Science & Technology

1980-08-13

thle short side, then no rectangle is ew r generated x’.ho se aspect r~itho i s \\orse di ai aJ. ’I lie d i % ide-I mid -cimq tier clInt ruolIn in... Sutherland and Donald Oestrcichcr, "flow big should a printed circuit board be?," ILEEE, Transactions on Computers, Vol. C-22, May 1973, pp. 537-542. 22

21 CFR 130.14 - General statements of substandard quality and substandard fill of container.

Code of Federal Regulations, 2010 CFR

2010-04-01

... pound, the type of the first line is 12-point, and of the second, 8-point. If such quantity is 1 pound or more, the type of the first line is 14-point, and of the second, 10-point. Such statement is enclosed within lines, not less than 6 points in width, forming a rectangle. Such statement, with enclosing...

The Development of Mobile Augmented Reality

DTIC Science & Technology

2012-01-01

working jointly with NRL, performed a domain analysis ( Gabbard et al., 2002) to create a context for usability engineering effort, performed formative...rectangle to provide a background enabled the fastest user performance ( Gabbard et al., 2007). Tracking the user’s head position relative to the real...thank Yohan Baillot, Reinhold Behringer, Blaine Bell, Dennis Brown, Aaron Bryden, Enylton Coelho, Elliot Cooper-Balis, Deborah Hix, Joseph Gabbard

Practical School Experiments with the Centre of Mass of Bodies

ERIC Educational Resources Information Center

Repnik, Robert; Ambrožic, Milan

2018-01-01

The concept of the centre of mass of a rigid body as a virtual point where the weight force acts is not easy to understand without a number of supporting school experiments. In school practice, however, experiments on this topic are often limited to a few of the simplest cases in which a simple flat body, such as a triangle or rectangle, is hung…

Geometry in Early Years: Sowing Seeds for a Mathematical Definition of Squares and Rectangles

ERIC Educational Resources Information Center

Bartolini Bussi, Maria G.; Baccaglini-Frank, Anna

2015-01-01

In early years schooling it is becoming common to propose activities that involve moving along paths, or programming robots to do so. In order to promote continuity towards the introduction of geometry in primary school, we developed a long-term teaching experiment (with 15 sessions) carried out over 4 months in a first grade classroom in northern…

Constructing Geometric Properties of Rectangle, Square, and Triangle in the Third Grade of Indonesian Primary Schools

ERIC Educational Resources Information Center

Rizkianto, Ilham; Zulkardi; Darmawijaya

2013-01-01

Previous studies have provided that when learning shapes for the first time, young children tend to use the prototype as the reference point for comparisons, but often fail when doing so since they do not yet think about the defining attributes or the geometric properties of the shapes. Most of the time, elementary students learn geometric…

Research on Collection System Optimal Design of Wind Farm with Obstacles

NASA Astrophysics Data System (ADS)

Huang, W.; Yan, B. Y.; Tan, R. S.; Liu, L. F.

2017-05-01

To the collection system optimal design of offshore wind farm, the factors considered are not only the reasonable configuration of the cable and switch, but also the influence of the obstacles on the topology design of the offshore wind farm. This paper presents a concrete topology optimization algorithm with obstacles. The minimal area rectangle encasing box of the obstacle is obtained by using the method of minimal area encasing box. Then the optimization algorithm combining the advantages of Dijkstra algorithm and Prim algorithm is used to gain the scheme of avoidance obstacle path planning. Finally a fuzzy comprehensive evaluation model based on the analytic hierarchy process is constructed to compare the performance of the different topologies. Case studies demonstrate the feasibility of the proposed algorithm and model.

A fast and automatic mosaic method for high-resolution satellite images

NASA Astrophysics Data System (ADS)

Chen, Hongshun; He, Hui; Xiao, Hongyu; Huang, Jing

2015-12-01

We proposed a fast and fully automatic mosaic method for high-resolution satellite images. First, the overlapped rectangle is computed according to geographical locations of the reference and mosaic images and feature points on both the reference and mosaic images are extracted by a scale-invariant feature transform (SIFT) algorithm only from the overlapped region. Then, the RANSAC method is used to match feature points of both images. Finally, the two images are fused into a seamlessly panoramic image by the simple linear weighted fusion method or other method. The proposed method is implemented in C++ language based on OpenCV and GDAL, and tested by Worldview-2 multispectral images with a spatial resolution of 2 meters. Results show that the proposed method can detect feature points efficiently and mosaic images automatically.

On the Asymmetric Focusing of Low-Emittance Electron Bunches via Active Lensing by Using Capillary Discharges

NASA Astrophysics Data System (ADS)

Bulanov, Stepan; Bagdasarov, Gennadiy; Bobrova, Nadezhda; Boldarev, Alexey; Olkhovskaya, Olga; Sasorov, Pavel; Gasilov, Vladimir; Barber, Samuel; Gonsalves, Anthony; Schroeder, Carl; van Tilborg, Jeroen; Esarey, Eric; Leemans, Wim; Levato, Tadzio; Margarone, Daniele; Korn, Georg; Kando, Masaki; Bulanov, Sergei

2017-10-01

A novel method for asymmetric focusing of electron beams is proposed. The scheme is based on the active lensing technique, which takes advantage of the strong inhomogeneous magnetic field generated inside the capillary discharge plasma to focus the ultrarelativistic electrons. The plasma and magnetic field parameters inside a capillary discharge are described theoretically and modeled with dissipative MHD simulations to enable analysis of capillaries of oblong rectangle cross-sections implying that large aspect ratio rectangular capillaries can be used to form flat electron bunches. The effect of the capillary cross-section on the electron beam focusing properties were studied using the analytical methods and simulation- derived magnetic field map showing the range of the capillary discharge parameters required for producing the high quality flat electron beams.

Mulifunctional Dendritic Emitter: Aggregation-Induced Emission Enhanced, Thermally Activated Delayed Fluorescent Material for Solution-Processed Multilayered Organic Light-Emitting Diodes

PubMed Central

Matsuoka, Kenichi; Albrecht, Ken; Yamamoto, Kimihisa; Fujita, Katsuhiko

2017-01-01

Thermally activated delayed fluorescence (TADF) materials emerged as promising light sources in third generation organic light-emitting diodes (OLED). Much effort has been invested for the development of small molecular TADF materials and vacuum process-based efficient TADF-OLEDs. In contrast, a limited number of solution processable high-molecular weight TADF materials toward low cost, large area, and scalable manufacturing of solution processed TADF-OLEDs have been reported so far. In this context, we report benzophenone-core carbazole dendrimers (GnB, n = generation) showing TADF and aggregation-induced emission enhancement (AIEE) properties along with alcohol resistance enabling further solution-based lamination of organic materials. The dendritic structure was found to play an important role for both TADF and AIEE activities in the neat films. By using these multifunctional dendritic emitters as non-doped emissive layers, OLED devices with fully solution processed organic multilayers were successfully fabricated and achieved maximum external quantum efficiency of 5.7%. PMID:28139768

Mulifunctional Dendritic Emitter: Aggregation-Induced Emission Enhanced, Thermally Activated Delayed Fluorescent Material for Solution-Processed Multilayered Organic Light-Emitting Diodes

NASA Astrophysics Data System (ADS)

Matsuoka, Kenichi; Albrecht, Ken; Yamamoto, Kimihisa; Fujita, Katsuhiko

2017-01-01

Thermally activated delayed fluorescence (TADF) materials emerged as promising light sources in third generation organic light-emitting diodes (OLED). Much effort has been invested for the development of small molecular TADF materials and vacuum process-based efficient TADF-OLEDs. In contrast, a limited number of solution processable high-molecular weight TADF materials toward low cost, large area, and scalable manufacturing of solution processed TADF-OLEDs have been reported so far. In this context, we report benzophenone-core carbazole dendrimers (GnB, n = generation) showing TADF and aggregation-induced emission enhancement (AIEE) properties along with alcohol resistance enabling further solution-based lamination of organic materials. The dendritic structure was found to play an important role for both TADF and AIEE activities in the neat films. By using these multifunctional dendritic emitters as non-doped emissive layers, OLED devices with fully solution processed organic multilayers were successfully fabricated and achieved maximum external quantum efficiency of 5.7%.

Eutectic-based wafer-level-packaging technique for piezoresistive MEMS accelerometers and bond characterization using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Aono, T.; Kazama, A.; Okada, R.; Iwasaki, T.; Isono, Y.

2018-03-01

We developed a eutectic-based wafer-level-packaging (WLP) technique for piezoresistive micro-electromechanical systems (MEMS) accelerometers on the basis of molecular dynamics analyses and shear tests of WLP accelerometers. The bonding conditions were experimentally and analytically determined to realize a high shear strength without solder material atoms diffusing to adhesion layers. Molecular dynamics (MD) simulations and energy dispersive x-ray (EDX) spectrometry done after the shear tests clarified the eutectic reaction of the solder materials used in this research. Energy relaxation calculations in MD showed that the diffusion of solder material atoms into the adhesive layer was promoted at a higher temperature. Tensile creep MD simulations also suggested that the local potential energy in a solder material model determined the fracture points of the model. These numerical results were supported by the shear tests and EDX analyses for WLP accelerometers. Consequently, a bonding load of 9.8 kN and temperature of 300 °C were found to be rational conditions because the shear strength was sufficient to endure the polishing process after the WLP process and there was little diffusion of solder material atoms to the adhesion layer. Also, eutectic-bonding-based WLP was effective for controlling the attenuation of the accelerometers by determining the thickness of electroplated solder materials that played the role of a cavity between the accelerometers and lids. If the gap distance between the two was less than 6.2 µm, the signal gains for x- and z-axis acceleration were less than 20 dB even at the resonance frequency due to air-damping.

Thermal and Optical Modulation of the Carrier Mobility in OTFTs Based on an Azo-anthracene Liquid Crystal Organic Semiconductor.

PubMed

Chen, Yantong; Li, Chao; Xu, Xiuru; Liu, Ming; He, Yaowu; Murtaza, Imran; Zhang, Dongwei; Yao, Chao; Wang, Yongfeng; Meng, Hong

2017-03-01

One of the most striking features of organic semiconductors compared with their corresponding inorganic counterparts is their molecular diversity. The major challenge in organic semiconductor material technology is creating molecular structural motifs to develop multifunctional materials in order to achieve the desired functionalities yet to optimize the specific device performance. Azo-compounds, because of their special photoresponsive property, have attracted extensive interest in photonic and optoelectronic applications; if incorporated wisely in the organic semiconductor groups, they can be innovatively utilized in advanced smart electronic applications, where thermal and photo modulation is applied to tune the electronic properties. On the basis of this aspiration, a novel azo-functionalized liquid crystal semiconductor material, (E)-1-(4-(anthracen-2-yl)phenyl)-2-(4-(decyloxy)phenyl)diazene (APDPD), is designed and synthesized for application in organic thin-film transistors (OTFTs). The UV-vis spectra of APDPD exhibit reversible photoisomerizaton upon photoexcitation, and the thin films of APDPD show a long-range orientational order based on its liquid crystal phase. The performance of OTFTs based on this material as well as the effects of thermal treatment and UV-irradiation on mobility are investigated. The molecular structure, stability of the material, and morphology of the thin films are characterized by thermal gravimetric analysis (TGA), polarizing optical microscopy (POM), (differential scanning calorimetry (DSC), UV-vis spectroscopy, atomic force microscopy (AFM), and scanning tunneling microscopy (STM). This study reveals that our new material has the potential to be applied in optical sensors, memories, logic circuits, and functional switches.

Enhanced Molecular Sieve CO2 Removal Evaluation

NASA Technical Reports Server (NTRS)

Rose, Susan; ElSherif, Dina; MacKnight, Allen

1996-01-01

The objective of this research is to quantitatively characterize the performance of two major types of molecular sieves for two-bed regenerative carbon dioxide removal at the conditions compatible with both a spacesuit and station application. One sorbent is a zeolite-based molecular sieve that has been substantially improved over the materials used in Skylab. The second sorbent is a recently developed carbon-based molecular sieve. Both molecular sieves offer the potential of high payoff for future manned missions by reducing system complexity, weight (including consumables), and power consumption in comparison with competing concepts. The research reported here provides the technical data required to improve CO2 removal systems for regenerative life support systems for future IVA and EVA missions.

Relationships between the morphology and thermoresponsive behavior in micro/nanostructured thermosetting matrixes containing a 4'-(hexyloxy)-4-biphenylcarbonitrile liquid crystal.

PubMed

Tercjak, Agnieszka; Mondragon, Iñaki

2008-10-07

Meso/nanostructured thermoresponsive thermosetting materials based on an epoxy resin modified with two different molecular weight amphiphilic poly(styrene- block-ethylene oxide) block copolymers (PSEO) and a low molecular weight liquid crystal, 4'-(hexyloxy)-4-biphenylcarbonitrile (HOBC), were investigated. A strong influence of the addition of PSEO on the morphology generated in HOBC--(diglicydyl ether of bisphenol A epoxy resin/ m-xylylenediamine) was detected, especially in the case of the addition of PSEO block copolymers with a higher PEO-block content and a lower molecular weight. The morphologies generated in the ternary systems also influenced the thermoresponsive behavior of the HOBC separated phase provoked by applying an external field, such as a temperature gradient and an electrical field. Thermal analysis of the investigated materials allowed for a better understanding of the relationships between generated morphology/thermo-optical properties/PSEO:HOBC ratio, and HOBC content. Controlling the relationship between the morphology and thermoresponsive behavior in micro/nanostructured thermosetting materials based on a 4'-(hexyloxy)-4-biphenylcarbonitrile liquid crystal allows the development of materials which can find application in thermo- and in some cases electroresponsive devices, with a high contrast ratio between transparent and opaque states.

Protein-Based Drug-Delivery Materials.

PubMed

Jao, Dave; Xue, Ye; Medina, Jethro; Hu, Xiao

2017-05-09

There is a pressing need for long-term, controlled drug release for sustained treatment of chronic or persistent medical conditions and diseases. Guided drug delivery is difficult because therapeutic compounds need to survive numerous transport barriers and binding targets throughout the body. Nanoscale protein-based polymers are increasingly used for drug and vaccine delivery to cross these biological barriers and through blood circulation to their molecular site of action. Protein-based polymers compared to synthetic polymers have the advantages of good biocompatibility, biodegradability, environmental sustainability, cost effectiveness and availability. This review addresses the sources of protein-based polymers, compares the similarity and differences, and highlights characteristic properties and functionality of these protein materials for sustained and controlled drug release. Targeted drug delivery using highly functional multicomponent protein composites to guide active drugs to the site of interest will also be discussed. A systematical elucidation of drug-delivery efficiency in the case of molecular weight, particle size, shape, morphology, and porosity of materials will then be demonstrated to achieve increased drug absorption. Finally, several important biomedical applications of protein-based materials with drug-delivery function-including bone healing, antibiotic release, wound healing, and corneal regeneration, as well as diabetes, neuroinflammation and cancer treatments-are summarized at the end of this review.

Multielectron donors based on TTF-phosphine and ferrocene-phosphine hybrid complexes of a hexarhenium(III) octahedral cluster core.

PubMed

Perruchas, Sandrine; Avarvari, Narcis; Rondeau, David; Levillain, Eric; Batail, Patrick

2005-05-16

Electroactive molecular materials precursors are obtained through coordination chemistry of the hexarhenium cluster core [Re(6)Se(8)](2+) on the six available apical positions with redox-active phosphines bearing tetrathiafulvalene- or ferrocene-based moieties. Single-crystal X-ray diffraction study and electrospray mass spectrometry ascertain the synthesis of these hexasubstituted electroactive clusters, containing up to 12 redox active sites. Cyclic voltammetry experiments demonstrate that these compounds can be reversibly oxidized at rather low potentials, thus allowing an easy access to the corresponding radical species which should provide new conducting and/or magnetic molecular materials.

[Study on action mechanism and material base of compound Danshen dripping pills in treatment of carotid atherosclerosis based on techniques of gene expression profile and molecular fingerprint].

PubMed

Zhou, Wei; Song, Xiang-gang; Chen, Chao; Wang, Shu-mei; Liang, Sheng-wang

2015-08-01

Action mechanism and material base of compound Danshen dripping pills in treatment of carotid atherosclerosis were discussed based on gene expression profile and molecular fingerprint in this paper. First, gene expression profiles of atherosclerotic carotid artery tissues and histologically normal tissues in human body were collected, and were screened using significance analysis of microarray (SAM) to screen out differential gene expressions; then differential genes were analyzed by Gene Ontology (GO) analysis and KEGG pathway analysis; to avoid some genes with non-outstanding differential expression but biologically importance, Gene Set Enrichment Analysis (GSEA) were performed, and 7 chemical ingredients with higher negative enrichment score were obtained by Cmap method, implying that they could reversely regulate the gene expression profiles of pathological tissues; and last, based on the hypotheses that similar structures have similar activities, 336 ingredients of compound Danshen dripping pills were compared with 7 drug molecules in 2D molecular fingerprints method. The results showed that 147 differential genes including 60 up-regulated genes and 87 down regulated genes were screened out by SAM. And in GO analysis, Biological Process ( BP) is mainly concerned with biological adhesion, response to wounding and inflammatory response; Cellular Component (CC) is mainly concerned with extracellular region, extracellular space and plasma membrane; while Molecular Function (MF) is mainly concerned with antigen binding, metalloendopeptidase activity and peptide binding. KEGG pathway analysis is mainly concerned with JAK-STAT, RIG-I like receptor and PPAR signaling pathway. There were 10 compounds, such as hexadecane, with Tanimoto coefficients greater than 0.85, which implied that they may be the active ingredients (AIs) of compound Danshen dripping pills in treatment of carotid atherosclerosis (CAs). The present method can be applied to the research on material base and molecular action mechanism of TCM.

Biotronics

DTIC Science & Technology

2012-11-01

BLOCKING LAYER IN ORGANIC LIGHT EMITTING DIODES ............................70 2.3.1 Materials Used for the Fabrication of BioLEDs...optical losses. Using a lower molecular weight DNA-based biopolymer as the top and bottom cladding layers in an NLO polymer EO modulator, we were able...application, these new biopolymer -based materials have been used for many types of electronic and photonic applications. Even with growing research

Molecular differential diagnosis of follicular thyroid carcinoma and adenoma based on gene expression profiling by using formalin-fixed paraffin-embedded tissues

PubMed Central

2013-01-01

Background Differential diagnosis between malignant follicular thyroid cancer (FTC) and benign follicular thyroid adenoma (FTA) is a great challenge for even an experienced pathologist and requires special effort. Molecular markers may potentially support a differential diagnosis between FTC and FTA in postoperative specimens. The purpose of this study was to derive molecular support for differential post-operative diagnosis, in the form of a simple multigene mRNA-based classifier that would differentiate between FTC and FTA tissue samples. Methods A molecular classifier was created based on a combined analysis of two microarray datasets (using 66 thyroid samples). The performance of the classifier was assessed using an independent dataset comprising 71 formalin-fixed paraffin-embedded (FFPE) samples (31 FTC and 40 FTA), which were analysed by quantitative real-time PCR (qPCR). In addition, three other microarray datasets (62 samples) were used to confirm the utility of the classifier. Results Five of 8 genes selected from training datasets (ELMO1, EMCN, ITIH5, KCNAB1, SLCO2A1) were amplified by qPCR in FFPE material from an independent sample set. Three other genes did not amplify in FFPE material, probably due to low abundance. All 5 analysed genes were downregulated in FTC compared to FTA. The sensitivity and specificity of the 5-gene classifier tested on the FFPE dataset were 71% and 72%, respectively. Conclusions The proposed approach could support histopathological examination: 5-gene classifier may aid in molecular discrimination between FTC and FTA in FFPE material. PMID:24099521

Engineering Solid-State Materials. Strategies for Modeling and Packing Control of Molecular Assemblies into 3-D Networks

DTIC Science & Technology

1993-04-22

cocrystal /materials design/hydrogen bonding 19 ABSTRACT (Continue on reverse if necessary and identify by block number) The crystal structure and...proterties of a number of urea cocrystals are studied with regard to symmetry of the hydrogen-bonded molecular assemblies. The logical consequences of...symmetry element A or M. ¶/or 2 Results: Our specific goals are to design and synthesize urea based cocrystals in which the twofold symmetry and hydrogen

Photo-control of nanointeractions.

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

Thomes, William Joseph, Jr.; Potter, Barrett George, Jr.; Jiang, Liu

2005-02-01

The manipulation of physical interactions between structural moieties on the molecular scale is a fundamental hurdle in the realization and operation of nanostructured materials and high surface area microsystem architectures. These include such nano-interaction-based phenomena as self-assembly, fluid flow, and interfacial tribology. The proposed research utilizes photosensitive molecular structures to tune such interactions reversibly. This new material strategy provides optical actuation of nano-interactions impacting behavior on both the nano- and macroscales and with potential to impact directed nanostructure formation, microfluidic rheology, and tribological control.

Nanotechnology Review: Molecular Electronics to Molecular Motors

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Saini, Subhash (Technical Monitor)

1998-01-01

Reviewing the status of current approaches and future projections, as already published in scientific journals and books, the talk will summarize the direction in which computational and experimental nanotechnologies are progressing. Examples of nanotechnological approaches to the concepts of design and simulation of carbon nanotube based molecular electronic and mechanical devices will be presented. The concepts of nanotube based gears and motors will be discussed. The above is a non-technical review talk which covers long term precompetitive basic research in already published material that has been presented before many US scientific meeting audiences.

Design and mechanisms of antifouling materials for surface plasmon resonance sensors.

PubMed

Liu, Boshi; Liu, Xia; Shi, Se; Huang, Renliang; Su, Rongxin; Qi, Wei; He, Zhimin

2016-08-01

Surface plasmon resonance (SPR) biosensors have many possible applications, but are limited by sensor chip surface fouling, which blocks immobilization and specific binding by the recognizer elements. Therefore, there is a pressing need for the development of antifouling surfaces. In this paper, the mechanisms of antifouling materials were firstly discussed, including both theories (hydration and steric hindrance) and factors influencing antifouling effects (molecular structures and self-assembled monolayer (SAM) architectures, surface charges, molecular hydrophilicity, and grafting thickness and density). Then, the most recent advances in antifouling materials applied on SPR biosensors were systematically reviewed, together with the grafting strategies, antifouling capacity, as well as their merits and demerits. These materials included, but not limited to, zwitterionic compounds, polyethylene glycol-based, and polysaccharide-based materials. Finally, the prospective research directions in the development of SPR antifouling materials were discussed. Surface plasmon resonance (SPR) is a powerful tool in monitoring biomolecular interactions. The principle of SPR biosensors is the conversion of refractive index change caused by molecular binding into resonant spectral shifts. However, the fouling on the surface of SPR gold chips is ubiquitous and troublesome. It limits the application of SPR biosensors by blocking recognition element immobilization and specific binding. Hence, we write this paper to review the antifouling mechanisms and the recent advances of the design of antifouling materials that can improve the accuracy and sensitivity of SPR biosensors. To our knowledge, this is the first review focusing on the antifouling materials that were applied or had potential to be applied on SPR biosensors. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Adsorption of molecular additive onto lead halide perovskite surfaces: A computational study on Lewis base thiophene additive passivation

NASA Astrophysics Data System (ADS)

Zhang, Lei; Yu, Fengxi; Chen, Lihong; Li, Jingfa

2018-06-01

Organic additives, such as the Lewis base thiophene, have been successfully applied to passivate halide perovskite surfaces, improving the stability and properties of perovskite devices based on CH3NH3PbI3. Yet, the detailed nanostructure of the perovskite surface passivated by additives and the mechanisms of such passivation are not well understood. This study presents a nanoscopic view on the interfacial structure of an additive/perovskite interface, consisting of a Lewis base thiophene molecular additive and a lead halide perovskite surface substrate, providing insights on the mechanisms that molecular additives can passivate the halide perovskite surfaces and enhance the perovskite-based device performance. Molecular dynamics study on the interactions between water molecules and the perovskite surfaces passivated by the investigated additive reveal the effectiveness of employing the molecular additives to improve the stability of the halide perovskite materials. The additive/perovskite surface system is further probed via molecular engineering the perovskite surfaces. This study reveals the nanoscopic structure-property relationships of the halide perovskite surface passivated by molecular additives, which helps the fundamental understanding of the surface/interface engineering strategies for the development of halide perovskite based devices.

Adaptive polymeric nanomaterials utilizing reversible covalent and hydrogen bonding

NASA Astrophysics Data System (ADS)

Neikirk, Colin

Adaptive materials based on stimuli responsive and reversible bonding moieties are a rapidly developing area of materials research. Advances in supramolecular chemistry are now being adapted to novel molecular architectures including supramolecular polymers to allow small, reversible changes in molecular and nanoscale structure to affect large changes in macroscale properties. Meanwhile, dynamic covalent chemistry provides a complementary approach that will also play a role in the development of smart adaptive materials. In this thesis, we present several advances to the field of adaptive materials and also provide relevant insight to the areas of polymer nanocomposites and polymer nanoparticles. First, we have utilized the innate molecular recognition and binding capabilities of the quadruple hydrogen bonding group ureidopyrimidinone (UPy) to prepare supramolecular polymer nanocomposites based on supramolecular poly(caprolactone) which show improved mechanical properties, but also an increase in particle aggregation with nanoparticle UPy functionalization. We also present further insight into the relative effects of filler-filler, filler-matrix, and matrix-matrix interactions using a UPy side-chain functional poly(butyl acrylate). These nanocomposites have markedly different behavior depending on the amount of UPy sidechain functionality. Meanwhile, our investigations of reversible photo-response showed that coumarin functionality in polymer nanoparticles not only facilitates light mediated aggregation/dissociation behavior, but also provides a substantial overall reduction in particle size and improvement in nanoparticle stability for particles prepared by Flash NanoPrecipitation. Finally, we have combined these stimuli responsive motifs as a starting point for the development of multiresponsive adaptive materials. The synthesis of a library of multifunctional materials has provided a strong base for future research in this area, although our initial investigations were ultimately unsuccessful due to photodegradation of the UPy moiety in chloroform solution. This thesis has provided the Priestley lab with a solid base for the further investigation of the diverse applications and unsolved science of stimuli responsive adaptive materials.

Rational chemical design of the next generation of molecular imaging probes based on physics and biology: mixing modalities, colors and signals

PubMed Central

Longmire, Michelle R.; Ogawa, Mikako; Choyke, Peter L.

2012-01-01

In recent years, numerous in vivo molecular imaging probes have been developed. As a consequence, much has been published on the design and synthesis of molecular imaging probes focusing on each modality, each type of material, or each target disease. More recently, second generation molecular imaging probes with unique, multi-functional, or multiplexed characteristics have been designed. This critical review focuses on (i) molecular imaging using combinations of modalities and signals that employ the full range of the electromagnetic spectra, (ii) optimized chemical design of molecular imaging probes for in vivo kinetics based on biology and physiology across a range of physical sizes, (iii) practical examples of second generation molecular imaging probes designed to extract complementary data from targets using multiple modalities, color, and comprehensive signals (277 references). PMID:21607237

Atomistic methodologies for material properties of 2D materials at the nanoscale

NASA Astrophysics Data System (ADS)

Zhang, Zhen

Research on two dimensional (2D) materials, such as graphene and MoS2, now involves thousands of researchers worldwide cutting across physics, chemistry, engineering and biology. Due to the extraordinary properties of 2D materials, research extends from fundamental science to novel applications of 2D materials. From an engineering point of view, understanding the material properties of 2D materials under various conditions is crucial for tailoring the electrical and mechanical properties of 2D-material-based devices at the nanoscale. Even at the nanoscale, molecular systems typically consist of a vast number of atoms. Molecular dynamics (MD) simulations enable us to understand the properties of assemblies of molecules in terms of their structure and the microscopic interactions between them. From a continuum approach, mechanical properties and thermal properties, such as strain, stress, and heat capacity, are well defined and experimentally measurable. In MD simulations, material systems are considered to be discrete, and only interatomic potential, interatomic forces, and atom positions are directly obtainable. Besides, most of the fracture mechanics concepts, such as stress intensity factors, are not applicable since there is no singularity in MD simulations. However, energy release rate still remains to be a feasible and crucial physical quantity to characterize the fracture mechanical property of materials at the nanoscale. Therefore, equivalent definition of a physical quantity both in atomic scale and macroscopic scale is necessary in order to understand molecular and continuum scale phenomena concurrently. This work introduces atomistic simulation methodologies, based on interatomic potential and interatomic forces, as a tool to unveil the mechanical properties, thermal properties and fracture mechanical properties of 2D materials at the nanoscale. Among many 2D materials, graphene and MoS2 have attracted intense interest. Therefore, we applied our methodologies to graphene and MoS2 as examples. Young's modulus, Poison's ratio, heat conductivity, heat capacity, and energy release rate at the nanoscale are studied. These findings lend compelling insights into the atomistic mechanisms of graphene and MoS2, and provide useful guidelines for the design of 2D-material-based nanodevices.

Selective silica-based sorbent materials synthesized by molecular imprinting for adsorption of pharmaceuticals in aqueous matrices.

PubMed

Morais, Everton C; Correa, Gabriel G; Brambilla, Rodrigo; dos Santos, João Henrique Z; Fisch, Adriano G

2013-02-01

The presence of pharmaceuticals in aqueous environmental matrices often requires efficient and selective preconcentration procedures. Thus, silicas (SILs) were synthesized by a molecular imprinting technique using an acid-catalyzed sol-gel process and the following drugs as templates: fluoxetine, gentamicin, lidocaine, morphine, nifedipine, paracetamol, and tetracycline. The materials were subjected to sorbent extraction assisted by ultrasonic treatment to remove the drugs and the consequent formation of molecular imprinted cavities. The surface area of the resulting materials ranged from 290 to 960 m(2)/g. Adsorption tests were performed with the molecular imprinting phases. In terms of the potential selectivity, the SILs were subjected to the adsorption of drugs from samples such as potable and surface water. The adsorption capacity remained in the range between 55 and 65% for both matrices, while for the nonimprinted SIL it remained between 15 and 20%. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ionic Liquid-Hybrid Molecularly Imprinted Material-Filter Solid-Phase Extraction Coupled with HPLC for Determination of 6-Benzyladenine and 4-Chlorophenoxyacetic Acid in Bean Sprouts.

PubMed

Han, Yehong; Yang, Chunliu; Zhou, Yang; Han, Dandan; Yan, Hongyuan

2017-03-01

A new method involving ionic liquid-hybrid molecularly imprinted material-filter solid-phase extraction coupled to high-performance liquid chromatography (IL-HIM-FSPE-HPLC) was developed for the simultaneous isolation and determination of 6-benzyladenine (6-BA) and 4-chlorophenoxyacetic acid (4-CPA) in bean sprouts. Sample preconcentration was performed using a modified filter, with the new IL-HIM as the adsorbent, which shows double adsorption. The first adsorption involves special recognition of molecular imprinting, and the second involves ion exchange and electrostatic attraction caused by the ionic liquid. This method combines the advantages of ionic liquids, hybrid materials, and molecularly imprinted polymers and was successfully applied to determine 6-BA and 4-CPA in bean sprouts. The adsorption of 6-BA to IL-HIM is based on selective imprinted recognition, whereas the adsorption of 4-CPA is mainly dependent on ion-exchange interactions.

Compliant Robot Wrist

NASA Technical Reports Server (NTRS)

Voellmer, George

1992-01-01

Compliant element for robot wrist accepts small displacements in one direction only (to first approximation). Three such elements combined to obtain translational compliance along three orthogonal directions, without rotational compliance along any of them. Element is double-blade flexure joint in which two sheets of spring steel attached between opposing blocks, forming rectangle. Blocks moved parallel to each other in one direction only. Sheets act as double cantilever beams deforming in S-shape, keeping blocks parallel.

Screen Time, How Much Is Too Much? The Social and Emotional Costs of Technology on the Adolescent Brain

ERIC Educational Resources Information Center

DeWeese, Katherine Lynn

2014-01-01

Screen time no longer means just the amount of time one spends in front of the television. Now it is an aggregate amount of time spent on smartphones, computers as well as multitasking with different devices. How much are the glowing rectangles taking away from adolescent social and emotional health? How is it changing how students learn and how…

Particle Shape and Composition of NU-LHT-2M

NASA Technical Reports Server (NTRS)

Rickman, D. L.; Lowers, H.

2012-01-01

Particle shapes of the lunar regolith simulant NU-LHT-2M were analyzed by scanning electron microscope of polished sections. These data provide shape, size, and composition information on a particle by particle basis. 5,193 particles were measured, divided into four sized fractions: less than 200 mesh, 200-100 mesh, 100-35 mesh, and greater than 35 mesh. 99.2% of all particles were monominerallic. Minor size versus composition effects were noted in minor and trace mineralogy. The two metrics used are aspect ratio and Heywood factor, plotted as normalized frequency distributions. Shape versus composition effects were noted for glass and possibly chlorite. To aid in analysis, the measured shape distributions are compared to data for ellipses and rectangles. Several other simple geometric shapes are also investigated as to how they plot in aspect ratio versus Heywood factor space. The bulk of the data previously reported, which were acquired in a plane of projection, are between the ellipse and rectangle lines. In contrast, these data, which were acquired in a plane of section, clearly show that a significant number of particles have concave hulls in this view. Appendices cover details of measurement error, use of geometric shapes for comparative analysis, and a logic for comparing data from plane of projection and plane of section measurements.

Spinal instrumentation for Duchenne's muscular dystrophy: experience of hypotensive anaesthesia to minimise blood loss.

PubMed

Fox, H J; Thomas, C H; Thompson, A G

1997-01-01

Nineteen patients with Duchenne's muscular dystrophy underwent segmental spinal instrumentation and posterior fusion between 1989 and 1994. The indication for surgery was loss of the ability to walk and development of scoliosis with sitting discomfort. Preoperative assessment included evaluation of pulmonary function. Average age at operation was 12.5 years. Instrumentation and fusion extended from upper thoracic levels to L-5 or the sacrum. A Hartshill rectangle was used in all cases, with banked allograft bone. Severe intraoperative blood loss was avoided by use of hypotensive anaesthesia. Peroperatively, systolic blood pressure was maintained between 75 and 85 mm Hg. Average blood loss was 1,246 ml (range, 400-3,100) or 30% of estimated total blood volume. Average transfusion requirements were 3 units of packed cells. Postoperative analgesia was provided by infusion via an epidural catheter. There were no postoperative wound or chest infections. Three patients required catheterisation for urinary retention. Postoperatively patients were fitted with a Neofract jacket to allow early mobilisation and discharge. Mean postoperative length of stay was 16 days. Posterior spinal fusion by using the Hartshill rectangle provided good correction and fixation. Hypotensive anaesthesia permitted surgery to be performed rapidly in a relatively dry field and avoided the complications of severe intraoperative blood loss and massive transfusion.

Spreading of non-planar non-axisymmetric gravity and turbidity currents

NASA Astrophysics Data System (ADS)

Zgheib, Nadim; Bonometti, Thomas; Balachandar, S.

2014-11-01

The dynamics of non-axisymmetric turbidity currents is considered here. The study comprises a series of experiments for which a finite volume of particle-laden solution is released into fresh water. A mixture of water and polystyrene particles of diameter 280

Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics.

PubMed

Guo, Dezhou; Zybin, Sergey V; An, Qi; Goddard, William A; Huang, Fenglei

2016-01-21

The combustion or detonation of reacting materials at high temperature and pressure can be characterized by the Chapman-Jouguet (CJ) state that describes the chemical equilibrium of the products at the end of the reaction zone of the detonation wave for sustained detonation. This provides the critical properties and product kinetics for input to macroscale continuum simulations of energetic materials. We propose the ReaxFF Reactive Dynamics to CJ point protocol (Rx2CJ) for predicting the CJ state parameters, providing the means to predict the performance of new materials prior to synthesis and characterization, allowing the simulation based design to be done in silico. Our Rx2CJ method is based on atomistic reactive molecular dynamics (RMD) using the QM-derived ReaxFF force field. We validate this method here by predicting the CJ point and detonation products for three typical energetic materials. We find good agreement between the predicted and experimental detonation velocities, indicating that this method can reliably predict the CJ state using modest levels of computation.

Biomaterials and scaffolds in reparative medicine

NASA Technical Reports Server (NTRS)

Chaikof, Elliot L.; Matthew, Howard; Kohn, Joachim; Mikos, Antonios G.; Prestwich, Glenn D.; Yip, Christopher M.; McIntire, L. V. (Principal Investigator)

2002-01-01

Most approaches currently pursued or contemplated within the framework of reparative medicine, including cell-based therapies, artificial organs, and engineered living tissues, are dependent on our ability to synthesize or otherwise generate novel materials, fabricate or assemble materials into appropriate 2-D and 3-D forms, and precisely tailor material-related physical and biological properties so as to achieve a desired clinical response. This paper summarizes the scientific and technological opportunities within the fields of biomaterials science and molecular engineering that will likely establish new enabling technologies for cellular and molecular therapies directed at the repair, replacement, or reconstruction of diseased or damaged organs and tissues.

Large resistance change on magnetic tunnel junction based molecular spintronics devices

NASA Astrophysics Data System (ADS)

Tyagi, Pawan; Friebe, Edward

2018-05-01

Molecular bridges covalently bonded to two ferromagnetic electrodes can transform ferromagnetic materials and produce intriguing spin transport characteristics. This paper discusses the impact of molecule induced strong coupling on the spin transport. To study molecular coupling effect the octametallic molecular cluster (OMC) was bridged between two ferromagnetic electrodes of a magnetic tunnel junction (Ta/Co/NiFe/AlOx/NiFe/Ta) along the exposed side edges. OMCs induced strong inter-ferromagnetic electrode coupling to yield drastic changes in transport properties of the magnetic tunnel junction testbed at the room temperature. These OMCs also transformed the magnetic properties of magnetic tunnel junctions. SQUID and ferromagnetic resonance studies provided insightful data to explain transport studies on the magnetic tunnel junction based molecular spintronics devices.

Electrical Characterization of Critical Phase Change Conditions in Nanoscale Ge2Sb2Te5 Pillars

NASA Astrophysics Data System (ADS)

Ozatay, Ozhan; Stipe, Barry; Katine, Jordan; Terris, Bruce

2008-03-01

Following the original work of Ovshinsky on disordered semiconductors that exhibit ovonic threshold switching (OTS) there has been substantial interest in the electronic reversible switching properties of chalcogenides^1. The current induced phase transitions between polycrystalline and amorphous states in these materials offer orders of magnitude changes in the conductance which makes them an ideal candidate for non-volatile data storage applications. In this work we investigate the scaling of critical programming conditions required to observe such transitions between highly resistive (disordered) and highly conductive (ordered) states by constructing a resistance map with various pulse widths and amplitudes under different cooling conditions (as a function of pulse trailing edge). We study the evolution of critical phase change conditions as a function of contact size (50nm-1μm) and shape (circle-square-rectangle). We compare the resulting switching behaviour with the predictions of a finite-element model of the electro-thermal physics to analyze the nature of the switching dynamics at the nanoscale. ^1 S-H. Lee, Y. Jung, R. Agarwal, Nature Nanotechnology; doi:10:1038/nnano.2007.291

Spectroscopic studies of Fe(III) ion-exchanged ETS-10 and ETAS-10 molecular sieves

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

Sommerfeld, D.A.; Ellis, W.R. Jr.; Eyring, E.M.

1992-11-26

Two new titanium silicate molecular sieves, designated ETS-10 and ETAS-10, have been ion-exchanged with Fe(III). Both products exhibit prominent EPR signals, at g = 6.0 and 4.3, that are assigned to populations of ferric iron on the surface and in the interior cavities, respectively, of the molecular sieve microcrystals. Corollary XPS measurements on these samples indicate that a substantial fraction of the surface iron is present as Fe(II). Chemical modification procedures have been explored in an effort to produce ion-exchanged materials containing no exterior iron. Acid treatment (pH 1.0) proved to be an effective means of achieving this goal inmore » the case of ETS-10-based materials. ETAS-10-based samples do not retain their crystallinity under these conditions. 35 refs., 4 figs., 2 tabs.« less

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

Ozolins, Vidvuds

Molecularly Engineered Energy Materials (MEEM) was established as an interdisciplinary cutting-edge UCLA-based research center uniquely equipped to attack the challenge of rationally designing, synthesizing and testing revolutionary new energy materials. Our mission was to achieve transformational improvements in the performance of materials via controlling the nano-and mesoscale structure using selectively designed, earth-abundant, inexpensive molecular building blocks. MEEM has focused on materials that are inherently abundant, can be easily assembled from intelligently designed building blocks (molecules, nanoparticles), and have the potential to deliver transformative economic benefits in comparison with the current crystalline-and polycrystalline-based energy technologies. MEEM addressed basic science issues relatedmore » to the fundamental mechanisms of carrier generation, energy conversion, as well as transport and storage of charge and mass in tunable, architectonically complex materials. Fundamental understanding of these processes will enable rational design, efficient synthesis and effective deployment of novel three-dimensional material architectures for energy applications. Three interrelated research directions were initially identified where these novel architectures hold great promise for high-reward research: solar energy generation, electrochemical energy storage, and materials for CO 2 capture. Of these, the first two remained throughout the project performance period, while carbon capture was been phased out in consultation and with approval from BES program manager.« less

Multi-Level Building Reconstruction for Automatic Enhancement of High Resolution Dsms

NASA Astrophysics Data System (ADS)

Arefi, H.; Reinartz, P.

2012-07-01

In this article a multi-level approach is proposed for reconstruction-based improvement of high resolution Digital Surface Models (DSMs). The concept of Levels of Detail (LOD) defined by CityGML standard has been considered as basis for abstraction levels of building roof structures. Here, the LOD1 and LOD2 which are related to prismatic and parametric roof shapes are reconstructed. Besides proposing a new approach for automatic LOD1 and LOD2 generation from high resolution DSMs, the algorithm contains two generalization levels namely horizontal and vertical. Both generalization levels are applied to prismatic model of buildings. The horizontal generalization allows controlling the approximation level of building footprints which is similar to cartographic generalization concept of the urban maps. In vertical generalization, the prismatic model is formed using an individual building height and continuous to included all flat structures locating in different height levels. The concept of LOD1 generation is based on approximation of the building footprints into rectangular or non-rectangular polygons. For a rectangular building containing one main orientation a method based on Minimum Bounding Rectangle (MBR) in employed. In contrast, a Combined Minimum Bounding Rectangle (CMBR) approach is proposed for regularization of non-rectilinear polygons, i.e. buildings without perpendicular edge directions. Both MBRand CMBR-based approaches are iteratively employed on building segments to reduce the original building footprints to a minimum number of nodes with maximum similarity to original shapes. A model driven approach based on the analysis of the 3D points of DSMs in a 2D projection plane is proposed for LOD2 generation. Accordingly, a building block is divided into smaller parts according to the direction and number of existing ridge lines. The 3D model is derived for each building part and finally, a complete parametric model is formed by merging all the 3D models of the individual parts and adjusting the nodes after the merging step. In order to provide an enhanced DSM, a surface model is provided for each building by interpolation of the internal points of the generated models. All interpolated models are situated on a Digital Terrain Model (DTM) of corresponding area to shape the enhanced DSM. Proposed DSM enhancement approach has been tested on a dataset from Munich central area. The original DSM is created using robust stereo matching of Worldview-2 stereo images. A quantitative assessment of the new DSM by comparing the heights of the ridges and eaves shows a standard deviation of better than 50cm.

Nanolayered Features of Collagen-like Peptides

NASA Technical Reports Server (NTRS)

Valluzzi, Regina; Bini, Elisabetta; Haas, Terry; Cebe, Peggy; Kaplan, David L.

2003-01-01

We have been investigating collagen-like model oligopeptides as molecular bases for complex ordered biomimetic materials. The collagen-like molecules incorporate aspects of native collagen sequence and secondary structure. Designed modifications to native primary and secondary structure have been incorporated to control the nanostructure and microstructure of the collagen-like materials produced. We find that the collagen-like molecules form a number of lyotropic rod liquid crystalline phases, which because of their strong temperature dependence in the liquid state can also be viewed as solvent intercalated thermotropic liquid crystals. The liquid crystalline phases formed by the molecules can be captured in the solid state by drying off solvent, resulting in solid nanopatterned (chemically and physically) thermally stable (to greater than 100 C) materials. Designed sequences which stabilize smectic phases have allowed a variety of nanoscale multilayered biopolymeric materials to be developed. Preliminary investigations suggest that chemical patterns running perpendicular to the smectic layer plane can be functionalized and used to localize a variety of organic, inorganic, and organometallic moieties in very simple multilayered nanocomposites. The phase behavior of collagen-like oligopeptide materials is described, emphasizing the correlation between mesophase, molecular orientation, and chemical patterning at the microscale and nanoscale. In many cases, the textures observed for smectic and hexatic phase collagens are remarkably similar to the complex (and not fully understood) helicoids observed in biological collagen-based tissues. Comparisons between biological morphologies and collagen model liquid crystalline (and solidified materials) textures may help us understand the molecular features which impart order and function to the extracellular matrix and to collagen-based mineralized tissues. Initial studies have utilized synthetic collagen-like peptides while future work will also focus on similar sequences generated via genetic engineering methods.

Field-Theoretic Simulations

NASA Astrophysics Data System (ADS)

Ganesan, Venkat; Fredrickson, Glenn H.

The science and engineering of materials is entering a new era of so-called "designer materials", wherein, based upon the properties required for a particular application, a material is designed by exploiting the self-assembly of appropriately chosen molecular constituents [1]. The desirable and marketable properties of such materials, which include plastic alloys, block and graft copolymers, and polyelectrolyte solutions, complexes, and gels, depend critically on the ability to control and manipulate morphology by adjusting a combination of molecular and macroscopic variables. For example, styrenebutadiene block copolymers can be devised that serve either as rigid, tough, transparent thermoplastics or as soft, flexible, thermoplastic elastomers, by appropriate control of copolymer architecture and styrene/butadiene ratio. In this case, the property profiles are intimately connected to the extent and type of nanoscale self-assembly that is established within the material. One of the main challenges confronting the successful design of nano-structured polymers is the development of a basic understanding of the relationship between the molecular details of the polymer formulation and the morphology that is achieved. Unfortunately, such relationships are still mainly determined by trial and error experimentation. A purely experimental-based program in pursuit of this objective proves cumbersome — primarily, due to the broad parameter space accessible at the time of synthesis and formulation. Consequently, there is a significant motivation for the development of computational tools that can enable a rational exploration of the parameter space.

Triplet Tellurophene-Based Acceptors for Organic Solar Cells.

PubMed

Yang, Lei; Gu, Wenxing; Lv, Lei; Chen, Yusheng; Yang, Yufei; Ye, Pan; Wu, Jianfei; Hong, Ling; Peng, Aidong; Huang, Hui

2018-01-22

Triplet materials have been employed to achieve high-performing organic solar cells (OSCs) by extending the exciton lifetime and diffusion distances, while the triplet non-fullerene acceptor materials have never been reported for bulk heterojunction OSCs. Herein, for the first time, three triplet molecular acceptors based on tellurophene with different degrees of ring fusing were designed and synthesized for OSCs. Significantly, these molecules have long exciton lifetime and diffusion lengths, leading to efficient power conversion efficiency (7.52 %), which is the highest value for tellurophene-based OSCs. The influence of the extent of ring fusing on molecular geometry and OSCs performance was investigated to show the power conversion efficiencies (PCEs) continuously increased along with increasing the extent of ring fusing. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Recent Advances in Analytical Pyrolysis to Investigate Organic Materials in Heritage Science.

PubMed

Degano, Ilaria; Modugno, Francesca; Bonaduce, Ilaria; Ribechini, Erika; Colombini, Maria Perla

2018-06-18

The molecular characterization of organic materials in samples from artworks and historical objects traditionally entailed qualitative and quantitative analyses by HPLC and GC. Today innovative approaches based on analytical pyrolysis enable samples to be analysed without any chemical pre-treatment. Pyrolysis, which is often considered as a screening technique, shows previously unexplored potential thanks to recent instrumental developments. Organic materials that are macromolecular in nature, or undergo polymerization upon curing and ageing can now be better investigated. Most constituents of paint layers and archaeological organic substances contain major insoluble and chemically non-hydrolysable fractions that are inaccessible to GC or HPLC. To date, molecular scientific investigations of the organic constituents of artworks and historical objects have mostly focused on the minor constituents of the sample. This review presents recent advances in the qualitative and semi-quantitative analyses of organic materials in heritage objects based on analytical pyrolysis coupled with mass spectrometry. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Polysaccharide-derived mesoporous materials (Starbon®) for sustainable separation of complex mixtures.

PubMed

Zuin, Vânia G; Budarin, Vitaliy L; De Bruyn, Mario; Shuttleworth, Peter S; Hunt, Andrew J; Pluciennik, Camille; Borisova, Aleksandra; Dodson, Jennifer; Parker, Helen L; Clark, James H

2017-09-21

The recovery and separation of high value and low volume extractives are a considerable challenge for the commercial realisation of zero-waste biorefineries. Using solid-phase extractions (SPE) based on sustainable sorbents is a promising method to enable efficient, green and selective separation of these complex extractive mixtures. Mesoporous carbonaceous solids derived from renewable polysaccharides are ideal stationary phases due to their tuneable functionality and surface structure. In this study, the structure-separation relationships of thirteen polysaccharide-derived mesoporous materials and two modified types as sorbents for ten naturally-occurring bioactive phenolic compounds were investigated. For the first time, a comprehensive statistical analysis of the key molecular and surface properties influencing the recovery of these species was carried out. The obtained results show the possibility of developing tailored materials for purification, separation or extraction, depending on the molecular composition of the analyte. The wide versatility and application span of these polysaccharide-derived mesoporous materials offer new sustainable and inexpensive alternatives to traditional silica-based stationary phases.

Protein-Based Drug-Delivery Materials

PubMed Central

Jao, Dave; Xue, Ye; Medina, Jethro; Hu, Xiao

2017-01-01

There is a pressing need for long-term, controlled drug release for sustained treatment of chronic or persistent medical conditions and diseases. Guided drug delivery is difficult because therapeutic compounds need to survive numerous transport barriers and binding targets throughout the body. Nanoscale protein-based polymers are increasingly used for drug and vaccine delivery to cross these biological barriers and through blood circulation to their molecular site of action. Protein-based polymers compared to synthetic polymers have the advantages of good biocompatibility, biodegradability, environmental sustainability, cost effectiveness and availability. This review addresses the sources of protein-based polymers, compares the similarity and differences, and highlights characteristic properties and functionality of these protein materials for sustained and controlled drug release. Targeted drug delivery using highly functional multicomponent protein composites to guide active drugs to the site of interest will also be discussed. A systematical elucidation of drug-delivery efficiency in the case of molecular weight, particle size, shape, morphology, and porosity of materials will then be demonstrated to achieve increased drug absorption. Finally, several important biomedical applications of protein-based materials with drug-delivery function—including bone healing, antibiotic release, wound healing, and corneal regeneration, as well as diabetes, neuroinflammation and cancer treatments—are summarized at the end of this review. PMID:28772877

Electrospun materials for affinity-based engineering and drug delivery

NASA Astrophysics Data System (ADS)

Sill, T. J.; von Recum, H. A.

2015-10-01

Electrospinning is a process which can quickly and cheaply create materials of high surface to volume and aspect ratios from many materials, however in application toward drug delivery this can be a strong disadvantage as well. Diffusion of drug is proportional to the thickness of that device. In moving from macro to micro to nano-sized electrospun materials drug release rates change to profiles that are too fast to be therapeutically beneficial. In this work we use molecular interactions to further control the rate of release beyond that capable of diffusion alone. To do this we create materials with molecular pockets, which can "hold" therapeutic drugs through a reversible interaction such as a host/guest complexation. Through these complexes we show we are able to impact delivery of drug from electrospun materials, and also apply them in tissue engineering for the reversible presentation of biomolecules on a fiber surface.

The development and amino acid binding ability of nano-materials based on azo derivatives: theory and experiment.

PubMed

Shang, Xuefang; Du, Jinge; Yang, Wancai; Liu, Yun; Fu, Zhiyuan; Wei, Xiaofang; Yan, Ruifang; Yao, Ningcong; Guo, Yaping; Zhang, Jinlian; Xu, Xiufang

2014-05-01

Two nano-material-containing azo groups have been designed and developed, and the binding ability of nano-materials with various amino acids has been characterized by UV-vis and fluorescence titrations. Results indicated that two nano-materials showed the strongest binding ability for homocysteine among twenty normal kinds of amino acids (alanine, valine, leucine, isoleucine, methionine, aspartic acid, glutamic acid, arginine, glycine, serine, threonine, asparagine, phenylalanine, histidine, tryptophan, proline, lysine, glutamine, tyrosine and homocysteine). The reason for the high sensitivity for homocysteine was that two nano-materials containing an aldehyde group reacted with SH in homocysteine and afforded very stable thiazolidine derivatives. Theoretical investigation further illustrated the possible binding mode in host-guest interaction and the roles of molecular frontier orbitals in molecular interplay. Thus, the two nano-materials can be used as optical sensors for the detection of homocysteine. Copyright © 2014 Elsevier B.V. All rights reserved.

Nanoarchitectonics from Molecular Units to Living-Creature-Like Motifs.

PubMed

Ariga, Katsuhiko; Mori, Taizo; Shrestha, Lok Kumar

2017-12-04

Important points for the fabrication of functional materials are the creation of nanoscale/molecular-scale units and architecting them into functional materials and systems. Recently, a new conceptual paradigm, nanoarchitectonics, has been proposed to combine nanotechnology and other methodologies including supramolecular chemistry, self-assembly and self-organization to satisfy major features of nanoscience and promote the creation of functional materials and systems. In this account article, our recent research results in materials development based on the nanoarchitectonics concept are summarized in two stories, (i) nanoarchitectonics from fullerenes as the simplest nano-units and (ii) dimension-dependent nanoarchitectonics from various structural units. The former demonstrates creativity of the nanoarchitectonics concept only with simple construction stuffs on materials fabrications, and a wide range of material applicability for the nanoarchitectonics strategy is realized in the latter ones. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molecular Adsorber Coating

NASA Technical Reports Server (NTRS)

Straka, Sharon; Peters, Wanda; Hasegawa, Mark; Hedgeland, Randy; Petro, John; Novo-Gradac, Kevin; Wong, Alfred; Triolo, Jack; Miller, Cory

2011-01-01

A document discusses a zeolite-based sprayable molecular adsorber coating that has been developed to alleviate the size and weight issues of current ceramic puck-based technology, while providing a configuration that more projects can use to protect against degradation from outgassed materials within a spacecraft, particularly contamination-sensitive instruments. This coating system demonstrates five times the adsorption capacity of previously developed adsorber coating slurries. The molecular adsorber formulation was developed and refined, and a procedure for spray application was developed. Samples were spray-coated and tested for capacity, thermal optical/radiative properties, coating adhesion, and thermal cycling. Work performed during this study indicates that the molecular adsorber formulation can be applied to aluminum, stainless steel, or other metal substrates that can accept silicate-based coatings. The coating can also function as a thermal- control coating. This adsorber will dramatically reduce the mass and volume restrictions, and is less expensive than the currently used molecular adsorber puck design.

Molecular ion battery: a rechargeable system without using any elemental ions as a charge carrier

PubMed Central

Yao, Masaru; Sano, Hikaru; Ando, Hisanori; Kiyobayashi, Tetsu

2015-01-01

Is it possible to exceed the lithium redox potential in electrochemical systems? It seems impossible to exceed the lithium potential because the redox potential of the elemental lithium is the lowest among all the elements, which contributes to the high voltage characteristics of the widely used lithium ion battery. However, it should be possible when we use a molecule-based ion which is not reduced even at the lithium potential in principle. Here we propose a new model system using a molecular electrolyte salt with polymer-based active materials in order to verify whether a molecular ion species serves as a charge carrier. Although the potential of the negative-electrode is not yet lower than that of lithium at present, this study reveals that a molecular ion can work as a charge carrier in a battery and the system is certainly a molecular ion-based “rocking chair” type battery. PMID:26043147

Material Modeling and Ballistic-Resistance Analysis of Armor-Grade Composites Reinforced with High-Performance Fibers

DTIC Science & Technology

2009-12-01

CLASSIFICATION OF: A new ballistic material model for 0/90 cross-plied oriented ultra-high molecular weight (UHMW) polyethylene fiber-based armor...recently developed unit cell-based ballistic material model for the same class of composites (M. Grujicic, G. Arakere, T. 1. REPORT DATE (DD-MM-YYYY) 4...ABSTRACT UU c. THIS PAGE UU 2. REPORT TYPE New Reprint 17. LIMITATION OF ABSTRACT UU 15. NUMBER OF PAGES 5d. PROJECT NUMBER 5e. TASK NUMBER 5f

Molecular self-assembly approaches for supramolecular electronic and organic electronic devices

NASA Astrophysics Data System (ADS)

Yip, Hin-Lap

Molecular self-assembly represents an efficient bottom-up strategy to generate structurally well-defined aggregates of semiconducting pi-conjugated materials. The capability of tuning the chemical structures, intermolecular interactions and nanostructures through molecular engineering and novel materials processing renders it possible to tailor a large number of unprecedented properties such as charge transport, energy transfer and light harvesting. This approach does not only benefit traditional electronic devices based on bulk materials, but also generate a new research area so called "supramolecular electronics" in which electronic devices are built up with individual supramolecular nanostructures with size in the sub-hundred nanometers range. My work combined molecular self-assembly together with several novel materials processing techniques to control the nucleation and growth of organic semiconducting nanostructures from different type of pi-conjugated materials. By tailoring the interactions between the molecules using hydrogen bonds and pi-pi stacking, semiconducting nanoplatelets and nanowires with tunable sizes can be fabricated in solution. These supramolecular nanostructures were further patterned and aligned on solid substrates through printing and chemical templating methods. The capability to control the different hierarchies of organization on surface provides an important platform to study their structural-induced electronic properties. In addition to using molecular self-assembly to create different organic nanostructures, functional self-assembled monolayer (SAM) formed by spontaneous chemisorption on surfaces was used to tune the interfacial property in organic solar cells. Devices showed dramatically improved performance when appropriate SAMs were applied to optimize the contact property for efficiency charge collection.

Cured composite materials for reactive metal battery electrolytes

DOEpatents

Harrup, Mason K.; Stewart, Frederick F.; Peterson, Eric S.

2006-03-07

A solid molecular composite polymer-based electrolyte is made for batteries, wherein silicate compositing produces a electrolytic polymer with a semi-rigid silicate condensate framework, and then mechanical-stabilization by radiation of the outer surface of the composited material is done to form a durable and non-tacky texture on the electrolyte. The preferred ultraviolet radiation produces this desirable outer surface by creating a thin, shallow skin of crosslinked polymer on the composite material. Preferably, a short-duration of low-medium range ultraviolet radiation is used to crosslink the polymers only a short distance into the polymer, so that the properties of the bulk of the polymer and the bulk of the molecular composite material remain unchanged, but the tough and stable skin formed on the outer surface lends durability and processability to the entire composite material product.

Hybrid Materials Based on Magnetic Layered Double Hydroxides: A Molecular Perspective.

PubMed

Abellán, Gonzalo; Martí-Gastaldo, Carlos; Ribera, Antonio; Coronado, Eugenio

2015-06-16

Design of functional hybrids lies at the very core of synthetic chemistry as it has enabled the development of an unlimited number of solids displaying unprecedented or even improved properties built upon the association at the molecular level of quite disparate components by chemical design. Multifunctional hybrids are a particularly appealing case among hybrid organic/inorganic materials. Here, chemical knowledge is used to deploy molecular components bearing different functionalities within a single solid so that these properties can coexist or event interact leading to unprecedented phenomena. From a molecular perspective, this can be done either by controlled assembly of organic/inorganic molecular tectons into an extended architecture of hybrid nature or by intercalation of organic moieties within the empty channels or interlamellar space offered by inorganic solids with three-dimensional (MOFs, zeolites, and mesoporous hosts) or layered structures (phosphates, silicates, metal dichalcogenides, or anionic clays). This Account specifically illustrates the use of layered double hydroxides (LDHs) in the preparation of magnetic hybrids, in line with the development of soft inorganic chemistry processes (also called "Chimie Douce"), which has significantly contributed to boost the preparation hybrid materials based on solid-state hosts and subsequent development of applications. Several features sustain the importance of LDHs in this context. Their magnetism can be manipulated at a molecular level by adequate choice of constituting metals and interlayer separation for tuning the nature and extent of magnetic interactions across and between planes. They display unparalleled versatility in accommodating a broad range of anionic species in their interlamellar space that encompasses not only simple anions but chemical systems of increasing dimensionality and functionalities. Their swelling characteristics allow for their exfoliation in organic solvents with high dielectric strength, to produce two-dimensional nanosheets with atomic thickness that can be used as macromolecular building blocks in the assembly of nanocomposites. We describe how these advantageous properties turn LDHs into excellent vehicles for the preparation of multifunctional materials with increasing levels of complexity. For clarity, the reader will first find a succinct description of the most relevant aspects controlling the magnetism of LDHs followed by their use in the preparation of magnetic hybrids from a molecular perspective. This includes the intercalation anionic species of increasing nuclearity like paramagnetic mononuclear complexes, stimulus-responsive molecular guests, one- and two-dimensional coordination polymers, or even preassembled 2D networks. This approach allows us to evolve from "dual-function" materials with coexistence, for example, of magnetism and superconductivity, to smart materials in which the magnetic or structural properties of the LDH layers can be tuned by applying an external stimulus like light or temperature. We will conclude with a brief look into the promising features offered by magnetic nanocomposites based on LDHs and our views on the most promising directions to be pursued in this context.

Cardiorespiratory Fitness Is Associated with Selective Attention in Healthy Male High-School Students.

PubMed

Wengaard, Eivind; Kristoffersen, Morten; Harris, Anette; Gundersen, Hilde

2017-01-01

Background : Previous studies have shown associations of physical fitness and cognition in children and in younger and older adults. However, knowledge about associations in high-school adolescents and young adults is sparse. Thus, the aim of this study was to evaluate the association of physical fitness, measured as maximal oxygen uptake ([Formula: see text]), muscle mass, weekly training, and cognitive function in the executive domains of selective attention and inhibitory control, in healthy male high-school students. Methods : Fifty-four males (17.9 ± 0.9 years, 72 ± 11 kg and 182 ± 7 cm) completed a [Formula: see text] test, a body composition test and a visual cognitive task based on the Posner cue paradigm with three types of stimuli with different attentional demands (i.e., stimuli presentation following no cue, valid cue or invalid cue presentations). The task consisted of 336 target stimuli, where 56 (17%) of the target stimuli appeared without a cue (no cue), 224 (67%) appeared in the same rectangle as the cue (valid cue) and 56 (17%) appeared in the rectangle opposite to the cue (invalid cue). Mean reaction time (RT) and corresponding errors was calculated for each stimuli type. Total task duration was 9 min and 20 s In addition, relevant background information was obtained in a questionnaire. Results : Linear mixed model analyses showed that higher [Formula: see text] was associated with faster RT for stimuli following invalid cue (Estimate = -2.69, SE = 1.03, p = 0.011), and for stimuli following valid cue (Estimate = -2.08, SE = 1.03, p = 0.048). There was no association of muscle mass and stimuli ( F = 1.01, p = 0.397) or of weekly training and stimuli ( F = 0.99, p = 0.405). Conclusion : The results suggest that cardiorespiratory fitness is associated with cognitive performance in healthy male high-school students in the executive domains of selective attention.

A Gas-Surface Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic Conditions including Thermal Conduction

DTIC Science & Technology

2012-02-28

Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic conditions including Thermal Conduction FA9550-09-1-0157 Schwartzentruber...Dynamics for Hypersonic Conditions including Thermal Conduction Grant/Contract Number: FA9550-09-1-0157 Program Manager: Dr. John Schmisseur PI...through the boundary layer and may chemically react with the vehicle’s thermal protection system (TPS). Many TPS materials act as a catalyst for the

Self-doped molecular composite battery electrolytes

DOEpatents

Harrup, Mason K.; Wertsching, Alan K.; Stewart, Frederick F.

2003-04-08

This invention is in solid polymer-based electrolytes for battery applications. It uses molecular composite technology, coupled with unique preparation techniques to render a self-doped, stabilized electrolyte material suitable for inclusion in both primary and secondary batteries. In particular, a salt is incorporated in a nano-composite material formed by the in situ catalyzed condensation of a ceramic precursor in the presence of a solvated polymer material, utilizing a condensation agent comprised of at least one cation amenable to SPE applications. As such, the counterion in the condensation agent used in the formation of the molecular composite is already present as the electrolyte matrix develops. This procedure effectively decouples the cation loading levels required for maximum ionic conductivity from electrolyte physical properties associated with condensation agent loading levels by utilizing the inverse relationship discovered between condensation agent loading and the time domain of the aging step.

Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure

NASA Astrophysics Data System (ADS)

Hu, Changjun; Bai, He; He, Xinfu; Zhang, Boyao; Nie, Ningming; Wang, Xianmeng; Ren, Yingwen

2017-02-01

Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster.

From gene to protein: A 3-week intensive course in molecular biology for physical scientists.

PubMed

Nadeau, Jay L

2009-07-01

This article describes a 3-week intensive molecular biology methods course based upon fluorescent proteins, which is successfully taught at the McGill University to advanced undergraduates and graduates in physics, chemical engineering, biomedical engineering, and medicine. No previous knowledge of biological terminology or methods is expected, so the material could readily be adapted to earlier undergraduates or students in other fields. The course emphasizes hands-on experience with one half-hour of lecture and 3 and a half hours of laboratory 4 days per week, for a total of 39 hours. The materials are simple and low in cost and all software used is free, making the budget accessible to small universities and community colleges that possess basic teaching wet labs. Conceptual understanding is reinforced with lab reports and an independent final paper on a subject of the student's choice. The final paper describes a possible thesis project, not necessarily the student's own, with assessment based upon grasping of key concepts and methods of molecular biology. Copyright © 2009 International Union of Biochemistry and Molecular Biology, Inc.

TSARINA: User’s Guide to a Computer Model for Damage Assessment of Complex Airbase Targets.

DTIC Science & Technology

1980-07-01

IF WITHIN RECTANGLE ENCLOSING PATTERN THAT IS PAPOLLTL TO 2018 . C AXES 2019. IF ((IT *L T . 1(1)).OR. (IT *GT. 1(3))) GO TO 3𔃻 2020. IF ((IT *LT. Y...1H /I¥/ 1H+ /,IS/ I- /,IE/ IN’ / 21)9. C THIS BOUTINE PLOTS THE IMPACT POINTS (BUT NOT CRATEPS) POE 2110. C ALL "ITS THAT HAVE BEEN STORED FOR A

Physiological Monitoring in Diving Mammals

DTIC Science & Technology

2015-09-30

obtain the required 70 MHz sine wave, we instead created a 10 MHz rectangle pulse wave and used a 70 MHz band pass filter (KR electronics 2657 sma) to...animals (Table 1) were sedated on the beach and transported to Long Marine Laboratory where the data logger was attached and the oximeter sensor...implanted under injectable sedation. In addition, the implantation procedure of the oximeter was assessed and we carefully noted any indications of trauma

Developing Novel Frameworks for Many-Body Ensembles

DTIC Science & Technology

2016-03-17

RETURN YOUR FORM TO THE ABOVE ADDRESS. Massachusetts Institute of Technology (MIT) 77 Massachusetts Ave. NE18-901 Cambridge , MA 02139 -4307 15-Jul-2015...of-equilibrium dynamics and to estimate prob- Page 4 of 9 Figure 2: Illustration of the dendro- gram representation. The rectangle on the left shows...isolation as illustrated in Figure 4. Starting from random initial conditions, an ensemble of particle pairs was simulated to establish the long-time

Louisville, KY, USA

NASA Technical Reports Server (NTRS)

1973-01-01

The meandering Ohio River bisecting this image is the border between Kentucky and Indiana. Louisville, KY (38.5N, 86.0W) on the south shore, is the main city seen in this predominately agricultural region where much of the native hardwood forests have been preserved in the hilly terrain. The main crops in this region include corn, alfalfa, wheat and soybeans. The dark rectangle in south Indiana near the river is The U.S. Army's Jefferson Proving Ground.

Fourier analysis of the SOR iteration

NASA Technical Reports Server (NTRS)

Leveque, R. J.; Trefethen, L. N.

1986-01-01

The SOR iteration for solving linear systems of equations depends upon an overrelaxation factor omega. It is shown that for the standard model problem of Poisson's equation on a rectangle, the optimal omega and corresponding convergence rate can be rigorously obtained by Fourier analysis. The trick is to tilt the space-time grid so that the SOR stencil becomes symmetrical. The tilted grid also gives insight into the relation between convergence rates of several variants.

Computational Nanotechnology of Materials, Electronics and Machines: Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Srivastava, Deepak

2001-01-01

This report presents the goals and research of the Integrated Product Team (IPT) on Devices and Nanotechnology. NASA's needs for this technology are discussed and then related to the research focus of the team. The two areas of focus for technique development are: 1) large scale classical molecular dynamics on a shared memory architecture machine; and 2) quantum molecular dynamics methodology. The areas of focus for research are: 1) nanomechanics/materials; 2) carbon based electronics; 3) BxCyNz composite nanotubes and junctions; 4) nano mechano-electronics; and 5) nano mechano-chemistry.

Electrospray neutralization process and apparatus for generation of nano-aerosol and nano-structured materials

DOEpatents

Bailey, Charles L.; Morozov, Victor; Vsevolodov, Nikolai N.

2010-08-17

The claimed invention describes methods and apparatuses for manufacturing nano-aerosols and nano-structured materials based on the neutralization of charged electrosprayed products with oppositely charged electrosprayed products. Electrosprayed products include molecular ions, nano-clusters and nano-fibers. Nano-aerosols can be generated when neutralization occurs in the gas phase. Neutralization of electrospan nano-fibers with molecular ions and charged nano-clusters may result in the formation of fibrous aerosols or free nano-mats. Nano-mats can also be produced on a suitable substrate, forming efficient nano-filters.

Nanopatched Graphene with Molecular Self-Assembly Toward Graphene-Organic Hybrid Soft Electronics.

PubMed

Kang, Boseok; Lee, Seong Kyu; Jung, Jaehyuck; Joe, Minwoong; Lee, Seon Baek; Kim, Jinsung; Lee, Changgu; Cho, Kilwon

2018-06-01

Increasing the mechanical durability of large-area polycrystalline single-atom-thick materials is a necessary step toward the development of practical and reliable soft electronics based on these materials. Here, it is shown that the surface assembly of organosilane by weak epitaxy forms nanometer-thick organic patches on a monolayer graphene surface and dramatically increases the material's resistance to harsh postprocessing environments, thereby increasing the number of ways in which graphene can be processed. The nanopatched graphene with the improved mechanical durability enables stable operation when used as transparent electrodes of wearable strain sensors. Also, the nanopatched graphene applied as an electrode modulates the molecular orientation of deposited organic semiconductor layers, and yields favorable nominal charge injection for organic transistors. These results demonstrate the potential for use of self-assembled organic nanopatches in graphene-based soft electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Eleventh All-Union Conference on High-Molecular-Weight Compounds

DTIC Science & Technology

1960-07-18

report of B. P. Yershov (Scientific Research Institute for Plastics) on the employment of high-frequency titration for the analysis of polymer materials...development of a new thermometric method of control in the production of synthetic materials based on polyethylacrylates. In the reports and communications

SMART materials: Surfaces, transforms and interfaces. The commensurate engineering dimension

NASA Astrophysics Data System (ADS)

McDonach, Alaster; Gardiner, Peter T.; McEwen, Ron S.; Culshaw, Brian

1994-11-01

The future of molecularly based smart materials hinges on the development of integrated technologies addressing synthesis, assembly, shaping, etc. and some of these are now becoming clear. Even in the bolt on era new technologies will allow issues of commensurate engineering to be addressed.

Protein mechanics: from single molecules to functional biomaterials.

PubMed

Li, Hongbin; Cao, Yi

2010-10-19

Elastomeric proteins act as the essential functional units in a wide variety of biomechanical machinery and serve as the basic building blocks for biological materials that exhibit superb mechanical properties. These proteins provide the desired elasticity, mechanical strength, resilience, and toughness within these materials. Understanding the mechanical properties of elastomeric protein-based biomaterials is a multiscale problem spanning from the atomistic/molecular level to the macroscopic level. Uncovering the design principles of individual elastomeric building blocks is critical both for the scientific understanding of multiscale mechanics of biomaterials and for the rational engineering of novel biomaterials with desirable mechanical properties. The development of single-molecule force spectroscopy techniques has provided methods for characterizing mechanical properties of elastomeric proteins one molecule at a time. Single-molecule atomic force microscopy (AFM) is uniquely suited to this purpose. Molecular dynamic simulations, protein engineering techniques, and single-molecule AFM study have collectively revealed tremendous insights into the molecular design of single elastomeric proteins, which can guide the design and engineering of elastomeric proteins with tailored mechanical properties. Researchers are focusing experimental efforts toward engineering artificial elastomeric proteins with mechanical properties that mimic or even surpass those of natural elastomeric proteins. In this Account, we summarize our recent experimental efforts to engineer novel artificial elastomeric proteins and develop general and rational methodologies to tune the nanomechanical properties of elastomeric proteins at the single-molecule level. We focus on general design principles used for enhancing the mechanical stability of proteins. These principles include the development of metal-chelation-based general methodology, strategies to control the unfolding hierarchy of multidomain elastomeric proteins, and the design of novel elastomeric proteins that exhibit stimuli-responsive mechanical properties. Moving forward, we are now exploring the use of these artificial elastomeric proteins as building blocks of protein-based biomaterials. Ultimately, we would like to rationally tailor mechanical properties of elastomeric protein-based materials by programming the molecular sequence, and thus nanomechanical properties, of elastomeric proteins at the single-molecule level. This step would help bridge the gap between single protein mechanics and material biomechanics, revealing how the mechanical properties of individual elastomeric proteins are translated into the properties of macroscopic materials.

Large resistance change on magnetic tunnel junction based molecular spintronics devices

DOE PAGES

Tyagi, Pawan; Friebe, Edward

2018-01-12

Here, molecular bridges covalently bonded to two ferromagnetic electrodes can transform ferromagnetic materials and produce intriguing spin transport characteristics. This paper discusses the impact of molecule induced strong coupling on the spin transport. To study molecular coupling effect the octametallic molecular cluster (OMC) was bridged between two ferromagnetic electrodes of a magnetic tunnel junction (Ta/Co/NiFe/AlOx/NiFe/Ta) along the exposed side edges. OMCs induced strong inter-ferromagnetic electrode coupling to yield drastic changes in transport properties of the magnetic tunnel junction testbed at the room temperature. These OMCs also transformed the magnetic properties of magnetic tunnel junctions. SQUID and ferromagnetic resonance studies providedmore » insightful data to explain transport studies on the magnetic tunnel junction based molecular spintronics devices.« less

Large resistance change on magnetic tunnel junction based molecular spintronics devices

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

Tyagi, Pawan; Friebe, Edward

Here, molecular bridges covalently bonded to two ferromagnetic electrodes can transform ferromagnetic materials and produce intriguing spin transport characteristics. This paper discusses the impact of molecule induced strong coupling on the spin transport. To study molecular coupling effect the octametallic molecular cluster (OMC) was bridged between two ferromagnetic electrodes of a magnetic tunnel junction (Ta/Co/NiFe/AlOx/NiFe/Ta) along the exposed side edges. OMCs induced strong inter-ferromagnetic electrode coupling to yield drastic changes in transport properties of the magnetic tunnel junction testbed at the room temperature. These OMCs also transformed the magnetic properties of magnetic tunnel junctions. SQUID and ferromagnetic resonance studies providedmore » insightful data to explain transport studies on the magnetic tunnel junction based molecular spintronics devices.« less

Gas Sensors Based on Molecular Imprinting Technology.

PubMed

Zhang, Yumin; Zhang, Jin; Liu, Qingju

2017-07-04

Molecular imprinting technology (MIT); often described as a method of designing a material to remember a target molecular structure (template); is a technique for the creation of molecularly imprinted polymers (MIPs) with custom-made binding sites complementary to the target molecules in shape; size and functional groups. MIT has been successfully applied to analyze; separate and detect macromolecular organic compounds. Furthermore; it has been increasingly applied in assays of biological macromolecules. Owing to its unique features of structure specificity; predictability; recognition and universal application; there has been exploration of the possible application of MIPs in the field of highly selective gas sensors. In this present study; we outline the recent advances in gas sensors based on MIT; classify and introduce the existing molecularly imprinted gas sensors; summarize their advantages and disadvantages; and analyze further research directions.

Polygonal current models for polycyclic aromatic hydrocarbons and graphene sheets of various shapes.

PubMed

Pelloni, Stefano; Lazzeretti, Paolo

2018-01-05

Assuming that graphene is an "infinite alternant" polycyclic aromatic hydrocarbon resulting from tessellation of a surface by only six-membered carbon rings, planar fragments of various size and shape (hexagon, triangle, rectangle, and rhombus) have been considered to investigate their response to a magnetic field applied perpendicularly. Allowing for simple polygonal current models, the diatropicity of a series of polycyclic textures has been reliably determined by comparing quantitative indicators, the π-electron contribution to I B , the magnetic field-induced current susceptibility of the peripheral circuit, to ξ∥ and to σ∥(CM)=-NICS∥(CM), respectively the out-of-plane components of the magnetizability tensor and of the magnetic shielding tensor at the center of mass. Extended numerical tests and the analysis based on the polygonal model demonstrate that (i) ξ∥ and σ∥(CM) yield inadequate and sometimes erroneous measures of diatropicity, as they are heavily flawed by spurious geometrical factors, (ii) I B values computed by simple polygonal models are valid quantitative indicators of aromaticity on the magnetic criterion, preferable to others presently available, whenever current susceptibility cannot be calculated ab initio as a flux integral, (iii) the hexagonal shape is the most effective to maximize the strength of π-electron currents over the molecular perimeter, (iv) the edge current strength of triangular and rhombic graphene fragments is usually much smaller than that of hexagonal ones, (v) doping by boron and nitrogen nuclei can regulate and even inhibit peripheral ring currents, (vi) only for very large rectangular fragments can substantial current strengths be expected. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Ultra-Low Threshold Vertical-Cavity Surface-Emitting Lasers for USAF Applications

DTIC Science & Technology

2005-01-01

molecular beam epitaxy , semiconductors, finite element method, modeling and simulation, oxidation furnace 16. SECURITY CLASSIFICATION OF: 19a. NAME OF...Patterson Air Force Base). Device material growth was accomplished by means of molecular beam epitaxy (MBE) using a Varian GENII MBE system owned by the...grown by molecular beam epitaxy on a GaAs substrate. Vertical posts, with square and circular cross sections ranging in size from 5 to 40 microns

Key Developments in Ionic Liquid Crystals.

PubMed

Alvarez Fernandez, Alexandra; Kouwer, Paul H J

2016-05-16

Ionic liquid crystals are materials that combine the classes of liquid crystals and ionic liquids. The first one is based on the multi-billion-dollar flat panel display industry, whilst the latter quickly developed in the past decades into a family of highly-tunable non-volatile solvents. The combination yields materials with a unique set of properties, but also with many challenges ahead. In this review, we provide an overview of the key concepts in ionic liquid crystals, particularly from a molecular perspective. What are the important molecular parameters that determine the phase behavior? How should they be introduced into the molecules? Finally, which other tools does one have to realize specific properties in the material?

Key Developments in Ionic Liquid Crystals

PubMed Central

Alvarez Fernandez, Alexandra; Kouwer, Paul H. J.

2016-01-01

Ionic liquid crystals are materials that combine the classes of liquid crystals and ionic liquids. The first one is based on the multi-billion-dollar flat panel display industry, whilst the latter quickly developed in the past decades into a family of highly-tunable non-volatile solvents. The combination yields materials with a unique set of properties, but also with many challenges ahead. In this review, we provide an overview of the key concepts in ionic liquid crystals, particularly from a molecular perspective. What are the important molecular parameters that determine the phase behavior? How should they be introduced into the molecules? Finally, which other tools does one have to realize specific properties in the material? PMID:27196890

Organic-inorganic hybrid materials as semiconducting channels in thin-film field-effect transistors

PubMed

Kagan; Mitzi; Dimitrakopoulos

1999-10-29

Organic-inorganic hybrid materials promise both the superior carrier mobility of inorganic semiconductors and the processability of organic materials. A thin-film field-effect transistor having an organic-inorganic hybrid material as the semiconducting channel was demonstrated. Hybrids based on the perovskite structure crystallize from solution to form oriented molecular-scale composites of alternating organic and inorganic sheets. Spin-coated thin films of the semiconducting perovskite (C(6)H(5)C(2)H(4)NH(3))(2)SnI(4) form the conducting channel, with field-effect mobilities of 0.6 square centimeters per volt-second and current modulation greater than 10(4). Molecular engineering of the organic and inorganic components of the hybrids is expected to further improve device performance for low-cost thin-film transistors.

Carboxylate-based molecular magnet: One path toward achieving stable quantum correlations at room temperature

DOE PAGES

Cruz, C.; Soares-Pinto, D. O.; Brandão, P.; ...

2016-03-07

The control of quantum correlations in solid-state systems by means of material engineering is a broad avenue to be explored, since it makes possible steps toward the limits of quantum mechanics and the design of novel materials with applications on emerging quantum technologies. This letter explores the potential of molecular magnets to be prototypes of materials for quantum information technology in this context. More precisely, we engineered a material and from its geometric quantum discord we found significant quantum correlations up to 9540 K (even without entanglement); and, a pure singlet state occupied up to around 80 K (above liquidmore » nitrogen temperature), additionally. Our results could only be achieved due to the carboxylate group promoting a metal-to-metal huge magnetic interaction.« less

Multiresolution saliency map based object segmentation

NASA Astrophysics Data System (ADS)

Yang, Jian; Wang, Xin; Dai, ZhenYou

2015-11-01

Salient objects' detection and segmentation are gaining increasing research interest in recent years. A saliency map can be obtained from different models presented in previous studies. Based on this saliency map, the most salient region (MSR) in an image can be extracted. This MSR, generally a rectangle, can be used as the initial parameters for object segmentation algorithms. However, to our knowledge, all of those saliency maps are represented in a unitary resolution although some models have even introduced multiscale principles in the calculation process. Furthermore, some segmentation methods, such as the well-known GrabCut algorithm, need more iteration time or additional interactions to get more precise results without predefined pixel types. A concept of a multiresolution saliency map is introduced. This saliency map is provided in a multiresolution format, which naturally follows the principle of the human visual mechanism. Moreover, the points in this map can be utilized to initialize parameters for GrabCut segmentation by labeling the feature pixels automatically. Both the computing speed and segmentation precision are evaluated. The results imply that this multiresolution saliency map-based object segmentation method is simple and efficient.

From oligomers to molecular giants of soybean oil in supercritical carbon dioxide medium: 1. Preparation of polymers with lower molecular weight from soybean oil.

PubMed

Liu, Zengshe; Sharma, Brajendra K; Erhan, Sevim Z

2007-01-01

Polymers with a low molecular weight derived from soybean oil have been prepared in a supercritical carbon dioxide medium by cationic polymerization. Boron trifluoride diethyl etherate was used as an initiator. Influences of polymerization temperature, amount of initiator, and carbon dioxide pressure on the molecular weight were investigated. It is shown that the higher polymerization temperature favors polymers with relatively higher molecular weights. Larger amounts of initiator also provide polymers with higher molecular weights. Higher pressure favors polymers with relatively higher molecular weights. The applications of these soy-based materials will be in the lubrication and hydraulic fluid areas.

Impact of molecule-based magnetic materials: A critical outlook

NASA Astrophysics Data System (ADS)

Rentschler, Eva; Affronte, Marco; Massobrio, Carlo; Rabu, Pierre; Veciana, Jaume

2009-05-01

A critical outlook of the field of molecular magnetic materials is presented. This article is inspired by an international symposium devoted to the " Design, Characterization and Modelling of Molecule-Based Magnetic Materials (DCM4-II)" that took place at Strasbourg (France), from May 28th to June 1st, within the E-MRS 2007 Spring Meeting (Symposium R) organized by the European Materials Research Society in collaboration with the European Science Foundation. A series of papers linked to this symposium are published in this issue and in the previous issue (Volume 11, Issue 4) of Solid State Sciences.

Segmentation of human face using gradient-based approach

NASA Astrophysics Data System (ADS)

Baskan, Selin; Bulut, M. Mete; Atalay, Volkan

2001-04-01

This paper describes a method for automatic segmentation of facial features such as eyebrows, eyes, nose, mouth and ears in color images. This work is an initial step for wide range of applications based on feature-based approaches, such as face recognition, lip-reading, gender estimation, facial expression analysis, etc. Human face can be characterized by its skin color and nearly elliptical shape. For this purpose, face detection is performed using color and shape information. Uniform illumination is assumed. No restrictions on glasses, make-up, beard, etc. are imposed. Facial features are extracted using the vertically and horizontally oriented gradient projections. The gradient of a minimum with respect to its neighbor maxima gives the boundaries of a facial feature. Each facial feature has a different horizontal characteristic. These characteristics are derived by extensive experimentation with many face images. Using fuzzy set theory, the similarity between the candidate and the feature characteristic under consideration is calculated. Gradient-based method is accompanied by the anthropometrical information, for robustness. Ear detection is performed using contour-based shape descriptors. This method detects the facial features and circumscribes each facial feature with the smallest rectangle possible. AR database is used for testing. The developed method is also suitable for real-time systems.

From molecular design and materials construction to organic nanophotonic devices.

PubMed

Zhang, Chuang; Yan, Yongli; Zhao, Yong Sheng; Yao, Jiannian

2014-12-16

CONSPECTUS: Nanophotonics has recently received broad research interest, since it may provide an alternative opportunity to overcome the fundamental limitations in electronic circuits. Diverse optical materials down to the wavelength scale are required to develop nanophotonic devices, including functional components for light emission, transmission, and detection. During the past decade, the chemists have made their own contributions to this interdisciplinary field, especially from the controlled fabrication of nanophotonic molecules and materials. In this context, organic micro- or nanocrystals have been developed as a very promising kind of building block in the construction of novel units for integrated nanophotonics, mainly due to the great versatility in organic molecular structures and their flexibility for the subsequent processing. Following the pioneering works on organic nanolasers and optical waveguides, the organic nanophotonic materials and devices have attracted increasing interest and developed rapidly during the past few years. In this Account, we review our research on the photonic performance of molecular micro- or nanostructures and the latest breakthroughs toward organic nanophotonic devices. Overall, the versatile features of organic materials are highlighted, because they brings tunable optical properties based on molecular design, size-dependent light confinement in low-dimensional structures, and various device geometries for nanophotonic integration. The molecular diversity enables abundant optical transitions in conjugated π-electron systems, and thus brings specific photonic functions into molecular aggregates. The morphology of these micro- or nanostructures can be further controlled based on the weak intermolecular interactions during molecular assembly process, making the aggregates show photon confinement or light guiding properties as nanophotonic materials. By adoption of some active processes in the composite of two or more materials, such as energy transfer, charge separation, and exciton-plasmon coupling, a series of novel nanophotonic devices could be achieved for light signal manipulation. First, we provide an overview of the research evolution of organic nanophotonics, which arises from attempts to explore the photonic potentials of low-dimensional structures assembled from organic molecules. Then, recent advances in this field are described from the viewpoints of molecules, materials, and devices. Many kinds of optofunctional molecules are designed and synthesized according to the demands in high luminescence yield, nonlinear optical response, and other optical properties. Due to the weak interactions between these molecules, numerous micro- or nanostructures could be prepared via self-assembly or vapor-deposition, bringing the capabilities of light transport and confinement at the wavelength scale. The above advantages provide great possibilities in the fabrication of organic nanophotonic devices, by rationally combining these functional components to manipulate light signals. Finally, we present our views on the current challenges as well as the future development of organic nanophotonic materials and devices. This Account gives a comprehensive understanding of organic nanophotonics, including the design and fabrication of organic micro- or nanocrystals with specific photonic properties and their promising applications in functional nanophotonic components and integrated circuits.

Biopolymers as an Alternative to Petroleum-Based Polymers for Soil Modification; ESTCP ER-0920: Treatability Studies

DTIC Science & Technology

2012-08-01

carboxylic, amine, hydroxyl). Molasses produced more carboxylic acid groups than the corn syrup -based material and was composed of high ...molecular weight EPS units (as high as 800 KDa). Corn syrup -derived biopolymer, on the other hand, showed a greater number of small molecular weight...biopolymer by R. tropici: corn syrup , maltose, sorghum, and molasses. The maltose, being a very expensive carbon source, has been replaced by the sorghum

Biopolymers as an Alternative to Petroleum-Based Polymers for Soil Modification, ESTCP ER-0920: Treatability Studies

DTIC Science & Technology

2012-08-01

carboxylic, amine, hydroxyl). Molasses produced more carboxylic acid groups than the corn syrup -based material and was composed of high ...molecular weight EPS units (as high as 800 KDa). Corn syrup -derived biopolymer, on the other hand, showed a greater number of small molecular weight...biopolymer by R. tropici: corn syrup , maltose, sorghum, and molasses. The maltose, being a very expensive carbon source, has been replaced by the sorghum

The Role of Molecular Weight and Temperature on the Elastic and Viscoelastic Properties of a Glassy Thermoplastic Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2001-01-01

Mechanical testing of the elastic and viscoelastic response of an advanced thermoplastic polyimide (LaRC-SI) with known variations in molecular weight was performed over a range of temperatures below the glass transition temperature. The notched tensile strength was shown to be a strong function of both molecular weight and temperature, whereas stiffness was only a strong function of temperature. A critical molecular weight was observed to occur at a weight average molecular weight of M, approx. 22,000 g/mol below which, the notched tensile strength decreases rapidly. This critical molecular weight transition is temperature-independent. Low, molecular weight materials tended to fail in a brittle manner, whereas high molecular weight materials exhibited ductile failure. Furthermore, low molecular weight materials have increased creep compliance and creep compliance rate, and are more sensitive to temperature than the high molecular weight materials. At long timescales (less than 1100 hours) physical aging serves to significantly decrease the creep compliance and creep rate of all the materials tested. Low molecular weight materials are less influenced by the effects of physical aging.

Computational design of surfaces, nanostructures and optoelectronic materials

NASA Astrophysics Data System (ADS)

Choudhary, Kamal

Properties of engineering materials are generally influenced by defects such as point defects (vacancies, interstitials, substitutional defects), line defects (dislocations), planar defects (grain boundaries, free surfaces/nanostructures, interfaces, stacking faults) and volume defects (voids). Classical physics based molecular dynamics and quantum physics based density functional theory can be useful in designing materials with controlled defect properties. In this thesis, empirical potential based molecular dynamics was used to study the surface modification of polymers due to energetic polyatomic ion, thermodynamics and mechanics of metal-ceramic interfaces and nanostructures, while density functional theory was used to screen substituents in optoelectronic materials. Firstly, polyatomic ion-beams were deposited on polymer surfaces and the resulting chemical modifications of the surface were examined. In particular, S, SC and SH were deposited on amorphous polystyrene (PS), and C2H, CH3, and C3H5 were deposited on amorphous poly (methyl methacrylate) (PMMA) using molecular dynamics simulations with classical reactive empirical many-body (REBO) potentials. The objective of this work was to elucidate the mechanisms by which the polymer surface modification took place. The results of the work could be used in tailoring the incident energy and/or constituents of ion beam for obtaining a particular chemistry inside the polymer surface. Secondly, a new Al-O-N empirical potential was developed within the charge optimized many body (COMB) formalism. This potential was then used to examine the thermodynamic stability of interfaces and mechanical properties of nanostructures composed of aluminum, its oxide and its nitride. The potentials were tested for these materials based on surface energies, defect energies, bulk phase stability, the mechanical properties of the most stable bulk phase, its phonon properties as well as with a genetic algorithm based evolution theory of the materials to ensure that no spurious phases had a lower cohesive energy. Thirdly, lanthanide doped and co-doped Y3Al5O 12 were examined using density functional theory (DFT) with semi-local and local functional. Theoretical results were compared and validated with experimental data and new co-doped materials with high efficiency were predicted. Finally, Transition element doped CH3NH3PbI3 were studied with DFT for validation of the model with experimental data and replacement materials for toxic Pb were predicted.

Microbial specificity of metallic surfaces exposed to ambient seawater

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

Zaidi, B.R.; Bard, R.F.; Tosteson, T.R.

1984-09-01

High-molecular-weight materials associated with the extracellular matrix and film found on titanium and aluminum surfaces after exposure to flowing coastal seawater were isolated. This material was purified by hydroxylapatite chromatography and subsequently employed to produce antibodies in the toad, Bufo marinus. The antibodies were immobilized on a solid support and employed to isolate adhesion-enhancing, high-molecular-weight materials from the laboratory culture media of bacterial strains recovered from the respective metallic surfaces during the course of their exposure to seawater. The adhesion-enhancing materials produced by the surface-associated bacterial strains were immunologically related to the extracellular biofouling matrix material found on the surfacesmore » from which these bacteria were isolated. The surface selectivity of these bacterial strains appeared to be based on the specificity of the interaction between adhesion-enhancing macromolecules produced by these bacteria and the surfaces in question. 30 references, 6 tables.« less

Tagging and purifying proteins to teach molecular biology and advanced biochemistry.

PubMed

Roecklein-Canfield, Jennifer A; Lopilato, Jane

2004-11-01

Two distinct courses, "Molecular Biology" taught by the Biology Department and "Advanced Biochemistry" taught by the Chemistry Department, complement each other and, when taught in a coordinated and integrated way, can enhance student learning and understanding of complex material. "Molecular Biology" is a comprehensive lecture-based course with a 3-h laboratory once a week, while "Advanced Biochemistry" is a completely laboratory-based course with lecture fully integrated around independent student projects. Both courses emphasize and utilize cutting-edge technology. Teaching across departmental boundaries allows students access to faculty expertise and techniques rarely used at the undergraduate level, namely the tagging of proteins and their use in protein purification. Copyright © 2004 International Union of Biochemistry and Molecular Biology, Inc.

Thermally modulated nano-trampoline material as smart skin for gas molecular mass detection

NASA Astrophysics Data System (ADS)

Xia, Hua

2012-06-01

Conventional multi-component gas analysis is based either on laser spectroscopy, laser and photoacoustic absorption at specific wavelengths, or on gas chromatography by separating the components of a gas mixture primarily due to boiling point (or vapor pressure) differences. This paper will present a new gas molecular mass detection method based on thermally modulated nano-trampoline material as smart skin for gas molecular mass detection by fiber Bragg grating-based gas sensors. Such a nanomaterial and fiber Bragg grating integrated sensing device has been designed to be operated either at high-energy level (highly thermal strained status) or at low-energy level (low thermal strained status). Thermal energy absorption of gas molecular trigs the sensing device transition from high-thermal-energy status to low-thermal- energy status. Experiment has shown that thermal energy variation due to gas molecular thermal energy absorption is dependent upon the gas molecular mass, and can be detected by fiber Bragg resonant wavelength shift with a linear function from 17 kg/kmol to 32 kg/kmol and a sensitivity of 0.025 kg/kmol for a 5 micron-thick nano-trampoline structure and fiber Bragg grating integrated gas sensing device. The laboratory and field validation data have further demonstrated its fast response characteristics and reliability to be online gas analysis instrument for measuring effective gas molecular mass from single-component gas, binary-component gas mixture, and multi-gas mixture. The potential industrial applications include fouling and surge control for gas charge centrifugal compressor ethylene production, gas purity for hydrogen-cooled generator, gasification for syngas production, gasoline/diesel and natural gas fuel quality monitoring for consumer market.

Molecular separation method and apparatus

DOEpatents

Villa-Aleman, Eliel

1996-01-01

A method and apparatus for separating a gaseous mixture of chemically identical but physically different molecules based on their polarities. The gaseous mixture of molecules is introduced in discrete quantities into the proximal end of a porous glass molecular. The molecular sieve is exposed to microwaves to excite the molecules to a higher energy state from a lower energy state, those having a higher dipole moment being excited more than those with a lower energy state. The temperature of the sieve kept cold by a flow of liquid nitrogen through a cooling jacket so that the heat generated by the molecules colliding with the material is transferred away from the material. The molecules thus alternate between a higher energy state and a lower one, with the portion of molecules having the higher dipole moment favored over the others. The former portion can then be extracted separately from the distal end of the molecular sieve.

Molecular separation method and apparatus

DOEpatents

Villa-Aleman, E.

1996-04-09

A method and apparatus are disclosed for separating a gaseous mixture of chemically identical but physically different molecules based on their polarities. The gaseous mixture of molecules is introduced in discrete quantities into the proximal end of a porous glass molecular sieve. The molecular sieve is exposed to microwaves to excite the molecules to a higher energy state from a lower energy state, those having a higher dipole moment being excited more than those with a lower energy state. The temperature of the sieve kept cold by a flow of liquid nitrogen through a cooling jacket so that the heat generated by the molecules colliding with the material is transferred away from the material. The molecules thus alternate between a higher energy state and a lower one, with the portion of molecules having the higher dipole moment favored over the others. The former portion can then be extracted separately from the distal end of the molecular sieve. 2 figs.

Growth and modelling of spherical crystalline morphologies of molecular materials

NASA Astrophysics Data System (ADS)

Shalev, O.; Biswas, S.; Yang, Y.; Eddir, T.; Lu, W.; Clarke, R.; Shtein, M.

2014-10-01

Crystalline, yet smooth, sphere-like morphologies of small molecular compounds are desirable in a wide range of applications but are very challenging to obtain using common growth techniques, where either amorphous films or faceted crystallites are the norm. Here we show solvent-free, guard flow-assisted organic vapour jet printing of non-faceted, crystalline microspheroids of archetypal small molecular materials used in organic electronic applications. We demonstrate how process parameters control the size distribution of the spheroids and propose an analytical model and a phase diagram predicting the surface morphology evolution of different molecules based on processing conditions, coupled with the thermophysical and mechanical properties of the molecules. This experimental approach opens a path for exciting applications of small molecular organic compounds in optical coatings, textured surfaces with controlled wettability, pharmaceutical and food substance printing and others, where thick organic films and particles with high surface area are needed.

Coding and Flow Charting as Applied to UICSM Programed Texts (1962-1963 Versions). Comparative Studies of Principles for Programming Mathematics in Automated Instruction. Technical Report.

ERIC Educational Resources Information Center

Stolurow, Lawrence M.; And Others

Coding systems need to be developed to account for computer decisions on every frame of a self-instructional program. In flow charts of the UICSM high school math programed series, each frame or page is represented by a diagramatic convention: diamond if a mainline frame, a rectangle if a quiz frame, a bottom-heavy trapezoid if a review or…

Self-recognition in the coordination driven self-assembly of 2-D polygons.

PubMed

Addicott, Chris; Das, Neeladri; Stang, Peter J

2004-08-23

Self-recognition in the transition-metal-mediated self-assembly of some 2-D polygons is presented. Prolonged heating of two or three organoplatinum reagents with 4,4'-dipyridyl in aqueous acetone results in the predominant formation of a rectangle, triangle, and/or square. All mixtures are characterized with NMR and electrospray ionization mass spectrometry (ESIMS). Despite the potential for ill-defined oligomeric products, these mixed ligand systems prefer to self-assemble into discrete species.

Seeing tones and hearing rectangles - Attending to simultaneous auditory and visual events

NASA Technical Reports Server (NTRS)

Casper, Patricia A.; Kantowitz, Barry H.

1985-01-01

The allocation of attention in dual-task situations depends on both the overall and the momentary demands associated with both tasks. Subjects in an inclusive- or reaction-time task responded to changes in simultaneous sequences of discrete auditory and visual stimuli. Performance on individual trials was affected by (1) the ratio of stimuli in the two tasks, (2) response demands of the two tasks, and (3) patterns inherent in the demands of one task.

Statistics of Radial Ship Extent as Seen by a Seeker

DTIC Science & Technology

2014-06-01

Auckland in pure and applied mathematics and physics, and a Master of Science in physics from the same university with a thesis in applied accelerator...does not demand contributions from two angle bins to one extent bin, unlike the rectangle; this is a very big advantage of the ellipse model. However...waveform that mimics the full length of a ship. This allows more economical use to be made of available false-target generation resources. I wish to

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

Jadav, Mudra; Patel, Rajesh, E-mail: rjp@mkbhavuni.edu.in, E-mail: rpat7@yahoo.co

Here we present a technique using magnetic nanofluid to induce bidispersed suspension of nonmagnetic particles to assemble into colloidal chain, triangle, rectangle, ring-flower configurations. By changing the amplitude and direction of the magnetic field, we could tune the structure of nonmagnetic particles in magnetic nanofluid. The structures are assembled using magneto static interactions between effectively nonmagnetic particles dispersed in magnetizable magnetic nanofluid. The assembly of complex structures out of simple colloidal building blocks is of practical interest in photonic crystals and DNA biosensors.

Development of Nano Plasmonic Structures for Multispectral IR Filters

DTIC Science & Technology

the polarization is parallel to the short ridge of the rectangle hole, it yields high optical transmission. The hole aspects are very important to the...Cross-shaped-hole arrays (CSHAs) are selected3 to diminish the polarization-dependent transmission differences of incident plane waves. The transmission...for the CSHA are set to 280nm and 50nm for period of 350nm, respectively; and the thicknesses of the metal films are set to 100nm. We varied the

Stochastic and Simulation Models of Maritime Intercept Operations Capabilities

DTIC Science & Technology

2005-12-01

methods of operations research. 2 Furusawa , Tadahiko, “On Territorial Defense – Policing Sea Area...searches a rectangle region AOI with area x yM M ⋅ . The MPA travels the AOI at a speed v . The radar coverage or radar footprint is assumed to be a...Borges, Jose Manuel, “Radar Search and Detection with the CASA 212 S43 Aircraft,” Naval Postgraduate School, (2004) 17 whole AOI is ( ) 2/x yM M f

Focused Ion Beam Fabrication of Microelectronic Structures

DTIC Science & Technology

1990-12-01

a simple function generator and allows fast ing, the pressure measured by the capacitance manometer is equal to the pressure at the sample surface...height above the sample ties. In practice this restricts features to simple rectangles or surface. J. Vac. . Tedhnol. B, VOL 7, No. 4, Jul/Aug IM...the sample up to 300 keV are available.(2) -3- This higher energy is often needed for implantation and for lithography in thick resist. Be++ ions at

Combining Image Processing with Signal Processing to Improve Transmitter Geolocation Estimation

DTIC Science & Technology

2014-03-27

transmitter by searching a grid of possible transmitter locations within the image region. At each evaluated grid point, theoretical TDOA values are computed...requires converting the image to a grayscale intensity image. This allows efficient manipulation of data and ease of comparison among pixel values . The...cluster of redundant y values along the top edge of an ideal rectangle. The same is true for the bottom edge, as well as for the x values along the

Sensemaking of Narratives: Informing the Capabilities Development Process

DTIC Science & Technology

2014-06-01

experiences. Narratives provide meaning across a wide range of disciplines, particularly from the fields of social sciences, such as anthropology and...stated that the GBOSS ―helped the civilians on the blimp to coordinate with us when we‘d find a smoke cloud and they could get eyes on it when we...Radar (STS-1400) menu in the tree view (left side of the screen displaying all of the sensors available to each system) and ensure the colored rectangle

Multiple-Valued Programmable Logic Array Minimization by Simulated Annealing

DTIC Science & Technology

1992-02-10

time is controllable, allowing one to tradeoff time for minimalit ’. It has been incorporated in the HAMLET PLA minimization tool. AcOSSIOn P? DTTC TAB C...specified along the horizontal axis. Each slice represents one temperature. The slice in the very front represents the highest and starting ...rectangle with a pair of adjacent 2’s in between. This func- tion can yield five product terms by a sequence of reshape moves starting from four

Materials-by-design: computation, synthesis, and characterization from atoms to structures

NASA Astrophysics Data System (ADS)

Yeo, Jingjie; Jung, Gang Seob; Martín-Martínez, Francisco J.; Ling, Shengjie; Gu, Grace X.; Qin, Zhao; Buehler, Markus J.

2018-05-01

In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is ‘plenty of room at the bottom’ for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization. This paper reviews how this paradigm creates the possibility to develop materials according to specific, rational designs from the molecular to the macroscopic scale. We discuss promising techniques in experimental small-scale material synthesis and large-scale fabrication methods to manipulate atomistic or macroscale structures, which can be designed by computational modeling. These include recombinant protein technology to produce peptides and proteins with tailored sequences encoded by recombinant DNA, self-assembly processes induced by conformational transition of proteins, additive manufacturing for designing complex structures, and qualitative and quantitative characterization of materials at different length scales. We describe important material characterization techniques using numerous methods of spectroscopy and microscopy. We detail numerous multi-scale computational modeling techniques that complements these experimental techniques: DFT at the atomistic scale; fully atomistic and coarse-grain molecular dynamics at the molecular to mesoscale; continuum modeling at the macroscale. Additionally, we present case studies that utilize experimental and computational approaches in an integrated manner to broaden our understanding of the properties of two-dimensional materials and materials based on silk and silk-elastin-like proteins.

Computational evidence for stable inorganic fullerene-like structures of ceramic and semiconductor materials

NASA Astrophysics Data System (ADS)

Chang, Ch; Patzer, A. B. C.; Sedlmayr, E.; Steinke, T.; Sülzle, D.

2001-12-01

Theoretical electronic structure techniques have become an indispensible and powerful means for predicting molecular properties and designing new materials. Based on a density functional approach and guided by geometric considerations we provide evidence for some specific inorganic fullerene-like cage molecules of ceramic and semiconductor materials which exhibit high energetic stability and point group symmetry as well as nearly perfect spherical shape.

Molecular Design of Benzodithiophene-Based Organic Photovoltaic Materials.

PubMed

Yao, Huifeng; Ye, Long; Zhang, Hao; Li, Sunsun; Zhang, Shaoqing; Hou, Jianhui

2016-06-22

Advances in the design and application of highly efficient conjugated polymers and small molecules over the past years have enabled the rapid progress in the development of organic photovoltaic (OPV) technology as a promising alternative to conventional solar cells. Among the numerous OPV materials, benzodithiophene (BDT)-based polymers and small molecules have come to the fore in achieving outstanding power conversion efficiency (PCE) and breaking 10% efficiency barrier in the single junction OPV devices. Remarkably, the OPV device featured by BDT-based polymer has recently demonstrated an impressive PCE of 11.21%, indicating the great potential of this class of materials in commercial photovoltaic applications. In this review, we offered an overview of the organic photovoltaic materials based on BDT from the aspects of backbones, functional groups, alkyl chains, and device performance, trying to provide a guideline about the structure-performance relationship. We believe more exciting BDT-based photovoltaic materials and devices will be developed in the near future.

PDMS Network Structure-Property Relationships: Influence of Molecular Architecture on Mechanical and Wetting Properties

NASA Astrophysics Data System (ADS)

Melillo, Matthew Joseph

Poly(dimethylsiloxane) (PDMS) is one of the most common elastomers, with applications ranging from sealants and marine-antifouling coatings to medical devices and absorbents for water treatment. Fundamental understanding of how liquids spread on the surface of and absorb into and leach out of PDMS networks is of critical importance for the design and use in another application - microfluidic devices. The growing use of PDMS in microfluidic devices raises the concern that some researchers may use this material without fully understanding all of its advantages, drawbacks, and intricacies. The primary goal of this Ph.D. dissertation is to elucidate PDMS network molecular structure to macroscopic property relationships and to demonstrate how molecular architecture can alter dynamic mechanical and wetting characteristics. We prepare PDMS materials by using vinyl/ tetrakis(dimethylsiloxy)silane (TDSS) and silanol/ tetraethylorthosilicate (TEOS) combinations of PDMS end-groups and crosslinkers as two model systems. Under constant curing conditions, we systematically study the effects of polymer molecular weight, loading of crosslinker, and end-group chemical functionality on the extent of gelation and the dynamic mechanical and water wetting properties of end-linked PDMS networks. The extent of the gelation reaction is determined using the Soxhlet extraction to quantify the amount of material that did and did not participate in the crosslinking reactions, termed the gel and sol fractions, respectively. We use the Miller-Macosko model in conjunction with the gel fraction and precise chemical composition (i.e., stoichiometric ratio and molecular weight) to determine the fractions of elastic and pendant material, the molecular weight between chemical crosslinks, and the average effective functionality of the crosslinker molecule. Based on dynamic mechanical testing, we find that the maximum storage moduli are achieved at optimal stoichiometric conditions in the vinyl/TDSS and commercial PDMS-based Sylgard 184 composite, but only keep improving with additional crosslinker in the silanol/TEOS systems due to in situ TEOS aggregation. We relate molecular network topology to mechanical properties using outputs from the Miller-Macosko model in the vinyl/TDSS system. The elastic fraction and storage modulus correlate well, as do the pendant fraction and the loss tangent, demonstrating the importance of each fraction in bulk mechanical properties. By studying the dynamic behavior of water droplets wetting PDMS substrates, we observe non-linear wetting behaviors that are markedly different from linear behaviors seen on glassy polymer substrates. The non-linear behavior is only observed prior to extraction, while after extraction, both systems demonstrate behavior similar to glassy polymers. This reveals the dramatic role small amounts of uncrosslinked materials present in the sol fraction play in the surface wetting dynamics of PDMS materials. We further demonstrate the role of uncrosslinked material by adding silicone oils into otherwise fully crosslinked PDMS networks and study their wetting properties. Through careful formulation and preparation of PDMS materials, compared to simply mixing two formulations present in Sylgard 184, one can apply polymer network models to glean useful information about network topology. The benefits of doing so outweigh the costs. We stress the importance of performing Soxhlet extraction to remove unreacted components from PDMS materials, even when using optimal stoichiometry. These mobile molecules that remain after crosslinking can alter significantly wetting behavior and readily leach into liquid environments. However, it is equally important to stress that Soxhlet extraction will not remove all unreacted material. Some will always remain in PDMS, which is often the practice in preparing microfluidic devices. While Sylgard 184 is very well suited for some applications, the results presented in this dissertation demonstrate to researchers that the material does have its limitations and that other options are available. These findings will aid in the design and implementation of reliable microfluidic devices and other PDMS-based materials that encounter liquid interfaces.

Decreasing redox voltage of terephthalate-based electrode material for Li-ion battery using substituent effect

NASA Astrophysics Data System (ADS)

Lakraychi, A. E.; Dolhem, F.; Djedaïni-Pilard, F.; Thiam, A.; Frayret, C.; Becuwe, M.

2017-08-01

The preparation and assessment versus lithium of a functionalized terephthalate-based as a potential new negative electrode material for Li-ion battery is presented. Inspired from molecular modelling, a decrease in redox potential is achieved through the symmetrical adjunction of electron-donating fragments (-CH3) on the aromatic ring. While the electrochemical activity of this organic material was maximized when used as nanocomposite and without any binder, the potential is furthermore lowered by 110 mV upon functionalization, consistently with predicted value gained from DFT calculations.

Nanostructured solid substrates for efficient laser desorption/ionization mass spectrometry (LDI-MS) of low molecular weight compounds.

PubMed

Silina, Yuliya E; Volmer, Dietrich A

2013-12-07

Analytical applications often require rapid measurement of compounds from complex sample mixtures. High-speed mass spectrometry approaches frequently utilize techniques based on direct ionization of the sample by laser irradiation, mostly by means of matrix-assisted laser desorption/ionization (MALDI). Compounds of low molecular weight are difficult to analyze by MALDI, however, because of severe interferences in the low m/z range from the organic matrix used for desorption/ionization. In recent years, surface-assisted laser desorption/ionization (SALDI) techniques have shown promise for small molecule analysis, due to the unique properties of nanostructured surfaces, in particular, the lack of a chemical background in the low m/z range and enhanced production of analyte ions by SALDI. This short review article presents a summary of the most promising recent developments in SALDI materials for MS analysis of low molecular weight analytes, with emphasis on nanostructured materials based on metals and semiconductors.

The spectroscopic characterization of newly developed emissive materials and the effects of environment on their photophysical properties

NASA Astrophysics Data System (ADS)

McNamara, Louis Edward, III

The development of new materials capable of efficient charge transfer and energy storage has become increasingly important in many areas of modern chemical research. This is especially true for the development of emissive optoelectronic devices and in the field of solar to electric energy conversion. The characterization of the photophysical properties of new molecular systems for these applications has become critical in the design and development of these materials. Many molecular building blocks have been developed and understanding the properties of these molecules at a fundamental level is essential for their successful implementation and future engineering. This dissertation focuses on the characterization of some of these newly-developed molecular systems. The spectroscopic studies focus on the characterization of newly-developed molecules based on perylene and indolizine derivatives for solar to electric energy conversion, thienopyrazine derivatives for near infrared (NIR) emissive applications, an SCS pincer complex for blue emissive materials and a fluorescent probe for medical applications. The effects of noncovalent interactions are also investigated on these systems and a benchmark biological molecule trimethylamine N-oxide (TMAO).

Molecular interactions between single layered MoS2 and biological molecules† †Electronic supplementary information (ESI) available: SFG data analysis methods, spectral fitting parameters, additional spectra, CD spectrum, and details about MD simulation methods. See DOI: 10.1039/c7sc04884j

PubMed Central

Xiao, Minyu; Wei, Shuai; Li, Yaoxin; Jasensky, Joshua; Chen, Junjie; Brooks, Charles L.

2017-01-01

Two-dimensional (2D) materials such as graphene, molybdenum disulfide (MoS2), tungsten diselenide (WSe2), and black phosphorous are being developed for sensing applications with excellent selectivity and high sensitivity. In such applications, 2D materials extensively interact with various analytes including biological molecules. Understanding the interfacial molecular interactions of 2D materials with various targets becomes increasingly important for the progression of better-performing 2D-material based sensors. In this research, molecular interactions between several de novo designed alpha-helical peptides and monolayer MoS2 have been studied. Molecular dynamics simulations were used to validate experimental data. The results suggest that, in contrast to peptide–graphene interactions, peptide aromatic residues do not interact strongly with the MoS2 surface. It is also found that charged amino acids are important for ensuring a standing-up pose for peptides interacting with MoS2. By performing site-specific mutations on the peptide, we could mediate the peptide–MoS2 interactions to control the peptide orientation on MoS2. PMID:29675220

Microgravity: Molecular Dynamics Simulations at the NCCS Probe the Behavior of Liquids in Low Gravity

NASA Technical Reports Server (NTRS)

2002-01-01

The life of the very small, whether in something as complicated as a human cell or as simple as a drop of water, is of fundamental scientific interest: By knowing how a tiny amount of material reacts to changes in its environment, scientists maybe able to answer questions about how a bulk of material would react to comparable changes. NASA is in the forefront of computational research into a broad range of basic scientific questions about fluid dynamics and the nature of liquid boundary instability. For example, one important issue for the space program is how drops of water and other materials will behave in the low-gravity environment of space and how the low gravity will affect the transport and containment of these materials. Accurate prediction of this behavior is among the aims of a set of molecular dynamics experiments carried out on the NCCSs Cray supercomputers. In conventional computational studies of materials, matter is treated as continuous - a macroscopic whole without regard to its molecular parts - and the behavior patterns of the matter in various physical environments are studied using well-established differential equations and mathematical parameters based on physical properties such as compressibility density, heat capacity, and vapor pressure of the bulk material.

Molecular Composition Analysis of Distant Targets

NASA Technical Reports Server (NTRS)

Hughes, Gary B.; Lubin, Philip

2017-01-01

This document is the Final Report for NASA Innovative Advanced Concepts (NIAC) Phase I Grant 15-NIAC16A-0145, titled Molecular Composition Analysis of Distant Targets. The research was focused on developing a system concept for probing the molecular composition of cold solar system targets, such as Asteroids, Comets, Planets and Moons from a distant vantage, for example from a spacecraft that is orbiting the target (Hughes et al., 2015). The orbiting spacecraft is equipped with a high-power laser, which is run by electricity from photovoltaic panels. The laser is directed at a spot on the target. Materials on the surface of the target are heated by the laser beam, and begin to melt and then evaporate, forming a plume of asteroid molecules in front of the heated spot. The heated spot glows, producing blackbody illumination that is visible from the spacecraft, via a path through the evaporated plume. As the blackbody radiation from the heated spot passes through the plume of evaporated material, molecules in the plume absorb radiation in a manner that is specific to the rotational and vibrational characteristics of the specific molecules. A spectrometer aboard the spacecraft is used to observe absorption lines in the blackbody signal. The pattern of absorption can be used to estimate the molecular composition of materials in the plume, which originated on the target. Focusing on a single spot produces a borehole, and shallow subsurface profiling of the targets bulk composition is possible. At the beginning of the Phase I research, the estimated Technology Readiness Level (TRL) of the system was TRL-1. During the Phase I research, an end-to-end theoretical model of the sensor system was developed from first principles. The model includes laser energy and optical propagation, target heating, melting and evaporation of target material, plume density, thermal radiation from the heated spot, molecular cross section of likely asteroid materials, and estimation of the absorption profile at a distant spectrometer. Results obtained by executing simulations based on the model provide compelling evidence that the concept of remote laser evaporative molecular absorption spectroscopy is feasible. In this document, technical details of the model are presented, and results of simulations are described that indicate the utility of the proposed sensor system. Additionally, an asteroid rendezvous mission is analyzed, with a survey of system requirements to accomplish molecular composition analysis of the asteroid. Based on positive theoretical results obtained during Phase I, the estimated TRL of the system is now TRL-2. This document also describes potential future research and experimentation that could push the system to TRL-4 within 2 years. Steps required for construction of a laboratory prototype are described. An experiment to test predictions of the theory is described, based on the laboratory prototype setup.

The effects of figure/ground, perceived area, and target saliency on the luminosity threshold.

PubMed

Bonato, F; Cataliotti, J

2000-02-01

Observers adjusted the luminance of a target region until it began to appear self-luminous, or glowing. In Experiment 1, the target was either a face-shaped region (figure) or a non-face-shaped region (ground) of identical area that appeared to be the face's background. In Experiment 2, the target was a square or a trapezoid of identical area that appeared as a tilted rectangle. In Experiment 3, the target was a square surrounded by square, circular, or diamond-shaped elements. Targets that (1) were perceived as figures, (2) were phenomenally small in area, or (3) did not group well with other elements in the array because of shape appeared self-luminous at significantly lower luminance levels. These results indicate that like lightness perception, the luminosity threshold is influenced by perceptual organization and is not based on low-level retinal processes alone.

Mobile robot self-localization system using single webcam distance measurement technology in indoor environments.

PubMed

Li, I-Hsum; Chen, Ming-Chang; Wang, Wei-Yen; Su, Shun-Feng; Lai, To-Wen

2014-01-27

A single-webcam distance measurement technique for indoor robot localization is proposed in this paper. The proposed localization technique uses webcams that are available in an existing surveillance environment. The developed image-based distance measurement system (IBDMS) and parallel lines distance measurement system (PLDMS) have two merits. Firstly, only one webcam is required for estimating the distance. Secondly, the set-up of IBDMS and PLDMS is easy, which only one known-dimension rectangle pattern is needed, i.e., a ground tile. Some common and simple image processing techniques, i.e., background subtraction are used to capture the robot in real time. Thus, for the purposes of indoor robot localization, the proposed method does not need to use expensive high-resolution webcams and complicated pattern recognition methods but just few simple estimating formulas. From the experimental results, the proposed robot localization method is reliable and effective in an indoor environment.

Specific feature of magnetooptical images of stray fields of magnets of various geometrical shapes

NASA Astrophysics Data System (ADS)

Ivanov, V. E.; Koveshnikov, A. V.; Andreev, S. V.

2017-08-01

Specific features of magnetooptical images (MOIs) of stray fields near the faces of prismatic hard magnetic elements have been studied. Attention has primarily been focused on MOIs of fields near faces oriented perpendicular to the magnetic moment of hard magnetic elements. With regard to the polar sensitivity, MOIs have practically uniform brightness and geometrically they coincide with the figures of the bases of the elements. With regard to longitudinal sensitivity, MOIs consist of several sectors, the number of which is determined by the number of angles of the image. Each angle is divided by the bisectrix into two sectors of different brightnesses; therefore, the MOI of a triangular magnet consists of three sectors. A rectangle consists of four sectors separated by the bisectrices of the interior angles. In all types of figures, these lines converge at the center of the figure and form a singular point of the source or sink type.

Fracture of an isotropic medium strengthened with a regular system of stringers

NASA Astrophysics Data System (ADS)

Mir-Salim-zadeh, M. V.

2007-01-01

An isotropic medium containing a system of foreign transverse rectilinear inclusions is considered. Such a medium can be interpreted as an infinite plate strengthened with a regular system of ribs (stringers) whose cross section is a very narrow rectangle. The medium is weakened by a periodic system of rectilinear cracks. The action of the stringers is re placed by unknown equivalent concentrated forces at the points of their connection with the medium. The boundary-value problem on equilibrium of the periodic system of cracks under the action of external tensile forces is reduced to a singular integral equation, from the solution of which the stress in tensity factors are found. The condition of limiting state of equilibrium of the cracks is formulated based on a criterion of brittle fracture. The stress state in the case where crack faces come into a partial contact is also considered.

High-resolution liquid patterns via three-dimensional droplet shape control.

PubMed

Raj, Rishi; Adera, Solomon; Enright, Ryan; Wang, Evelyn N

2014-09-25

Understanding liquid dynamics on surfaces can provide insight into nature's design and enable fine manipulation capability in biological, manufacturing, microfluidic and thermal management applications. Of particular interest is the ability to control the shape of the droplet contact area on the surface, which is typically circular on a smooth homogeneous surface. Here, we show the ability to tailor various droplet contact area shapes ranging from squares, rectangles, hexagons, octagons, to dodecagons via the design of the structure or chemical heterogeneity on the surface. We simultaneously obtain the necessary physical insights to develop a universal model for the three-dimensional droplet shape by characterizing the droplet side and top profiles. Furthermore, arrays of droplets with controlled shapes and high spatial resolution can be achieved using this approach. This liquid-based patterning strategy promises low-cost fabrication of integrated circuits, conductive patterns and bio-microarrays for high-density information storage and miniaturized biochips and biosensors, among others.

Mobile Robot Self-Localization System Using Single Webcam Distance Measurement Technology in Indoor Environments

PubMed Central

Li, I-Hsum; Chen, Ming-Chang; Wang, Wei-Yen; Su, Shun-Feng; Lai, To-Wen

2014-01-01

A single-webcam distance measurement technique for indoor robot localization is proposed in this paper. The proposed localization technique uses webcams that are available in an existing surveillance environment. The developed image-based distance measurement system (IBDMS) and parallel lines distance measurement system (PLDMS) have two merits. Firstly, only one webcam is required for estimating the distance. Secondly, the set-up of IBDMS and PLDMS is easy, which only one known-dimension rectangle pattern is needed, i.e., a ground tile. Some common and simple image processing techniques, i.e., background subtraction are used to capture the robot in real time. Thus, for the purposes of indoor robot localization, the proposed method does not need to use expensive high-resolution webcams and complicated pattern recognition methods but just few simple estimating formulas. From the experimental results, the proposed robot localization method is reliable and effective in an indoor environment. PMID:24473282

Telidon Videotex presentation level protocol: Augmented picture description instructions

NASA Astrophysics Data System (ADS)

Obrien, C. D.; Brown, H. G.; Smirle, J. C.; Lum, Y. F.; Kukulka, J. Z.; Kwan, A.

1982-02-01

The Telidon Videotex system is a method by which graphic and textual information and transactional services can be accessed from information sources by the general public. In order to transmit information to a Telidon terminal at a minimum bandwidth, and in a manner independent of the type of communications channel, a coding scheme was devised which permits the encoding of a picture into the geometric drawing elements which compose it. These picture description instructions are an alpha geometric coding model and are based on the primitives of POINT, LINE, ARC, RECTANGLE, POLYGON, and INCREMENT. Text is encoded as (ASCII) characters along with a supplementary table of accents and special characters. A mosaic shape table is included for compatibility. A detailed specification of the coding scheme and a description of the principles which make it independent of communications channel and display hardware are provided.

Analysis of junior high school students' difficulty in resolving rectangular conceptual problems

NASA Astrophysics Data System (ADS)

Utami, Aliksia Kristiana Dwi; Mardiyana, Pramudya, Ikrar

2017-08-01

Geometry is one part of the mathematics that must be learned in school and it has important effects on the development of creative thinking skills of learners, but in fact, there are some difficulties experienced by the students. This research focuses on analysis difficulty in resolving rectangular conceptual problems among junior high school students in every creative thinking skills level. This research used a descriptive method aimed to identify the difficulties and cause of the difficulties experienced by five students. The difficulties are associated with rectangular shapes and related problems. Data collection was done based on students' work through test, interview, and observations. The result revealed that student' difficulties in understanding the rectangular concept can be found at every creative thinking skills level. The difficulties are identifying the objects rectangular in the daily life except for a rectangle and square, analyzing the properties of rectangular shapes, and seeing the interrelationships between figures.

Multifunctional optical security features based on bacteriorhodopsin

NASA Astrophysics Data System (ADS)

Hampp, Norbert A.; Neebe, Martin; Juchem, Thorsten; Wolperdinger, Markus; Geiger, Markus; Schmuck, Arno

2004-06-01

Bacteriorhodopsin (BR), a photochromic retinal protein, has been developed into a new materials platform for applications in anti-counterfeiting. The combination of three different properties of the material on its molecular level, a light-inducible color change, photochemical data storage and traceability of the protein due to molecular marker sequences make this protein a promising material for security applications. The crystalline structure of the biopigment combines these properties with high stability. As BR is a biological material specialized knowledge for modification, cost- effective production and suitable processing of the material is required. Photochromic BR-based inks have been developed for screen printing, pad printing and ink jet printing. These prints show a high photochromic sensitivity towards variation of illumination. For this reason it is not possible to reproduce the dynamic color by photocopying. In addition to such visual inspection the printed symbols offer the possibility for digital write-once-read-many (WORM) data storage. Photochemical recording is accomplished by a two-photon process. Recording densities in a range from 106 bit/cm2 to 108 bit/cm2 have been achieved. Data structures are stored in a polarization sensitive mode which allows an easy and efficient data encryption.

Modeling charge transport in organic photovoltaic materials.

PubMed

Nelson, Jenny; Kwiatkowski, Joe J; Kirkpatrick, James; Frost, Jarvist M

2009-11-17

The performance of an organic photovoltaic cell depends critically on the mobility of charge carriers within the constituent molecular semiconductor materials. However, a complex combination of phenomena that span a range of length and time scales control charge transport in disordered organic semiconductors. As a result, it is difficult to rationalize charge transport properties in terms of material parameters. Until now, efforts to improve charge mobilities in molecular semiconductors have proceeded largely by trial and error rather than through systematic design. However, recent developments have enabled the first predictive simulation studies of charge transport in disordered organic semiconductors. This Account describes a set of computational methods, specifically molecular modeling methods, to simulate molecular packing, quantum chemical calculations of charge transfer rates, and Monte Carlo simulations of charge transport. Using case studies, we show how this combination of methods can reproduce experimental mobilities with few or no fitting parameters. Although currently applied to material systems of high symmetry or well-defined structure, further developments of this approach could address more complex systems such anisotropic or multicomponent solids and conjugated polymers. Even with an approximate treatment of packing disorder, these computational methods simulate experimental mobilities within an order of magnitude at high electric fields. We can both reproduce the relative values of electron and hole mobility in a conjugated small molecule and rationalize those values based on the symmetry of frontier orbitals. Using fully atomistic molecular dynamics simulations of molecular packing, we can quantitatively replicate vertical charge transport along stacks of discotic liquid crystals which vary only in the structure of their side chains. We can reproduce the trends in mobility with molecular weight for self-organizing polymers using a cheap, coarse-grained structural simulation method. Finally, we quantitatively reproduce the field-effect mobility in disordered C60 films. On the basis of these results, we conclude that all of the necessary building blocks are in place for the predictive simulation of charge transport in macromolecular electronic materials and that such methods can be used as a tool toward the future rational design of functional organic electronic materials.

A molecular dynamics study of polymer/graphene interfacial systems

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

Rissanou, Anastassia N.; Harmandaris, Vagelis

2014-05-15

Graphene based polymer nanocomposites are hybrid materials with a very broad range of technological applications. In this work, we study three hybrid polymer/graphene interfacial systems (polystyrene/graphene, poly(methyl methacrylate)/graphene and polyethylene/graphene) through detailed atomistic molecular dynamics (MD) simulations. Density profiles, structural characteristics and mobility aspects are being examined at the molecular level for all model systems. In addition, we compare the properties of the hybrid systems to the properties of the corresponding bulk ones, as well as to theoretical predictions.

III-Nitride, SiC and Diamond Materials for Electronic Devices. Symposium Held April 8-12 1996, San Francisco, California, U.S.A. Volume 423.

DTIC Science & Technology

1996-12-01

gallium, nitrogen and gallium nitride structures. Thus it can be shown to be transferable and efficient for predictive molecular -dynamic simulations on...potentials and forces for the molecular dynamics simulations are derived by means of a density-functional based nonorthogonal tight-binding (DF-TB) scheme...LDA). Molecular -dynamics simulations for determining the different reconstructions of the SiC surface use the slab method (two-dimensional periodic

Molecular Environmental Science: An Assessment of Research Accomplishments, Available Synchrotron Radiation Facilities, and Needs

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

Brown, G

2004-02-05

Synchrotron-based techniques are fundamental to research in ''Molecular Environmental Science'' (MES), an emerging field that involves molecular-level studies of chemical and biological processes affecting the speciation, properties, and behavior of contaminants, pollutants, and nutrients in the ecosphere. These techniques enable the study of aqueous solute complexes, poorly crystalline materials, solid-liquid interfaces, mineral-aqueous solution interactions, microbial biofilm-heavy metal interactions, heavy metal-plant interactions, complex material microstructures, and nanomaterials, all of which are important components or processes in the environment. Basic understanding of environmental materials and processes at the molecular scale is essential for risk assessment and management, and reduction of environmental pollutantsmore » at field, landscape, and global scales. One of the main purposes of this report is to illustrate the role of synchrotron radiation (SR)-based studies in environmental science and related fields and their impact on environmental problems of importance to society. A major driving force for MES research is the need to characterize, treat, and/or dispose of vast quantities of contaminated materials, including groundwater, sediments, and soils, and to process wastes, at an estimated cost exceeding 150 billion dollars through 2070. A major component of this problem derives from high-level nuclear waste. Other significant components come from mining and industrial wastes, atmospheric pollutants derived from fossil fuel consumption, agricultural pesticides and fertilizers, and the pollution problems associated with animal waste run-off, all of which have major impacts on human health and welfare. Addressing these problems requires the development of new characterization and processing technologies--efforts that require information on the chemical speciation of heavy metals, radionuclides, and xenobiotic organic compounds and their reactions with environmental materials. To achieve this goal, both fundamental and targeted studies of complex environmental systems at a molecular level are needed, and examples of both types of studies are presented herein. These examples illustrate the fact that MES SR studies have led to a revolution in our understanding of the fundamental physical and chemical aspects of natural systems. The MES SR user community has continued to experience strong growth at U.S. SR laboratories, with MES researchers comprising up to 15% of the total user base. Further growth and development of the MES community is being hindered by insufficient resources, including support personnel, materials preparation facilities, and available beam time at U.S. SR laboratories. ''EnviroSync'' recommends the following actions, in cooperation with U.S. SR laboratory directors, to meet the MES community's needs.« less

Molecular Thermometry

PubMed Central

McCabe, Kevin M.; Hernandez, Mark

2010-01-01

Conventional temperature measurements rely on material responses to heat, which can be detected visually. When Galileo developed an air expansion based device to detect temperature changes, Santorio, a contemporary physician, added a scale to create the first thermometer. With this instrument, patients’ temperatures could be measured, recorded and related to changing health conditions. Today, advances in materials science and bioengineering provide new ways to report temperature at the molecular level in real time. In this review the scientific foundations and history of thermometry underpin a discussion of the discoveries emerging from the field of molecular thermometry. Intracellular nanogels and heat sensing biomolecules have been shown to accurately report temperature changes at the nano-scale. Various systems will soon provide the ability to accurately measure temperature changes at the tissue, cellular, and even sub-cellular level, allowing for detection and monitoring of very small changes in local temperature. In the clinic this will lead to enhanced detection of tumors and localized infection, and accurate and precise monitoring of hyperthermia based therapies. Some nanomaterial systems have even demonstrated a theranostic capacity for heat-sensitive, local delivery of chemotherapeutics. Just as early thermometry moved into the clinic, so too will these molecular thermometers. PMID:20139796

Molecular structure, mechanical behavior and failure mechanism of the C-terminal cross-link domain in type I collagen.

PubMed

Uzel, Sebastien G M; Buehler, Markus J

2011-02-01

Collagen is a key constituent in structural materials found in biology, including bone, tendon, skin and blood vessels. Here we report a first molecular level model of an entire overlap region of a C-terminal cross-linked type I collagen assembly and carry out a nanomechanical characterization based on large-scale molecular dynamics simulation in explicit water solvent. Our results show that the deformation mechanism and strength of the structure are greatly affected by the presence of the cross-link, and by the specific loading condition of how the stretching is applied. We find that the presence of a cross-link results in greater strength during deformation as complete intermolecular slip is prevented, and thereby particularly affects larger deformation levels. Conversely, the lack of a cross-link results in the onset of intermolecular sliding during deformation and as a result an overall weaker structure is obtained. Through a detailed analysis of the distribution of deformation by calculating the molecular strain we show that the location of largest strains does not occur around the covalent bonding region, but is found in regions further away from this location. The insight developed from understanding collagenous materials from a fundamental molecular level upwards could play a role in advancing our understanding of physiological and disease states of connective tissues, and also enable the development of new scaffolding material for applications in regenerative medicine and biologically inspired materials. Copyright © 2011. Elsevier Ltd. All rights reserved.

Room temperature ferroelectricity in one-dimensional single chain molecular magnets [{M(Δ)M(Λ)}(ox)2(phen)2]n (M = Fe and Mn)

NASA Astrophysics Data System (ADS)

Bhatt, Pramod; Mukadam, M. D.; Meena, S. S.; Mishra, S. K.; Mittal, R.; Sastry, P. U.; Mandal, B. P.; Yusuf, S. M.

2017-03-01

The ferroelectric materials are mainly focused on pure inorganic oxides; however, the organic molecule based materials have recently attracted great attention because of their multifunctional properties. The mixing of oxalate and phenanthroline ligands with metal ions (Fe or Mn) at room temperature followed by hydrothermal treatment results in the formation of one-dimensional single chain molecular magnets which exhibit room temperature dielectric and ferroelectric behavior. The compounds are chiral in nature, and exhibit a ferroelectric behavior, attributed to the polar point group C2, in which they crystallized. The compounds are also associated with a dielectric loss and thus a relaxation process. The observed electric dipole moment, essential for a ferroelectricity, has been understood quantitatively in terms of lattice distortions at two different lattice sites within the crystal structure. The studied single chain molecular magnetic materials with room temperature ferroelectric and dielectric properties could be of great technological importance in non-volatile memory elements, and high-performance insulators.

Hydrothermal Crystal Growth of Lithium Tetraborate and Lithium Gamma-Metaborate

DTIC Science & Technology

2014-03-27

could be atomic nuclei, the center of mass of some complex—those details are immaterial. Both the rectangle and lozenge form potential cross-sections...HR y d L Figure 10. The red lines are the various contours of solution of 9, using a = 10 Bohr radii and the mass of coefficients on the LHS forced to...absorptivity is significantly below that of the transition metals or the actinides [9]. The lithium borate crystals are therefore a strong candidate for

Impact of Resolution in Multi-Conjugate Adaptive Optics Systems Using Segmented Mirrors (Preprint)

DTIC Science & Technology

2009-06-01

and 100 percent fill factor. The DM1 influence function for each subaperture is modelled as a rectangle. As the apparent resolution of DM1 in the...modelled as a continuous facesheet. To account for the impact of adjoining actuators, an influence function is applied which essentially smoothes out...continuous DMs.20 Lukin’s influence function is closer to that of Jagourel and Gafford,21 or more simplified than the general higher order Gaussian function

Louisville, KY, USA

NASA Image and Video Library

1973-06-22

SL2-10-260 (22 June 1973) --- The meandering Ohio River bisecting this image is the border between Kentucky and Indiana. Louisville, KY (38.5N, 86.0W) on the south shore, is the main city seen in this predominately agricultural region where much of the native hardwood forests have been preserved in the hilly terrain. The main crops in this region include corn, alfalfa, wheat and soybeans. The dark rectangle in south Indiana near the river is The U.S. Army's Jefferson Proving Ground. Photo credit: NASA

High Throughput Screen to Identify Novel Drugs that Inhibit Prostate Cancer Metastasis

DTIC Science & Technology

2007-10-01

determined by electrophoresis on 8% denaturing polyacryl - amide gel containing 7 M urea. A 10-bp 32P-labeled ladder and sequencing reaction performed with...isolated from nuclear lysates from P69 and C4-2 cells. The bands shown as rectangles were excised after staining of the proteins in the gel and then...the same primer on a genomic clone was used as a reference. The gel was dried, and the radioactive signals were identified by phos- phorimaging (Storm

Metaphoric Car Drawings By a 12-Year-Old Congenitally Blind Girl.

PubMed

Chao, Hsin-Yi; Kennedy, John M

2015-12-01

A 12-year-old congenitally-blind girl drew a car moving, stationary, and braking. For stationary, she put the wheels inside the car and, for braking, drew the wheels as rough rectangles. At the age verbal metaphor is understood (Winner, 1988), the girl invented metaphoric drawings. In these, what is shown is not what is meant. In late childhood, metaphor may be understood similarly in pictures and words and by the sighted and blind. © The Author(s) 2015.

Modeling of Electrochemical Copying in a Finite-Width Cell

NASA Astrophysics Data System (ADS)

Zhitnikov, V. P.; Sherykhalina, N. M.; Zaripov, A. A.

2017-11-01

The problem of modeling of electrochemical machining is reduced to the solution of the Schwartz problem on a parametrical rectangle with the use of theta-functions. Various conditions (non-equipotentiality of electrodes and inconstancy of current efficiency) at the boundary of a processed surface are considered. Nonstationary, quasistationary, stationary, and limit solutions are studied. Results of machining of surfaces by tool electrodes of various shapes are given. It is shown that machining mode parameters significantly affect the dissolved layer size necessary for obtaining high-precision copying.

Techniques for interpretation of geoid anomalies

NASA Technical Reports Server (NTRS)

Chapman, M. E.

1979-01-01

For purposes of geological interpretation, techniques are developed to compute directly the geoid anomaly over models of density within the earth. Ideal bodies such as line segments, vertical sheets, and rectangles are first used to calculate the geoid anomaly. Realistic bodies are modeled with formulas for two-dimensional polygons and three-dimensional polyhedra. By using Fourier transform methods the two-dimensional geoid is seen to be a filtered version of the gravity field, in which the long-wavelength components are magnified and the short-wavelength components diminished.

An Evaluation and Comparison of Several Measures of Image Quality for Television Displays

DTIC Science & Technology

1979-01-01

vehicles, buildings, or faces , or they may be artificial much as trn-bar patterns, rectangles, or sine waves. The typical objective image quality assessment...Snyder (1974b) wac able to obtain very good correlations with reaction time and correct responses for a face recognition task. Display quality was varied...recognition versus log JUDA for the target recognition study of Chapter 4, 5) graph of angle oubtended by target at recognitio , versus log JNDA for the

U.S. Southern Command Government Purchase Card Controls Need Improvement to Prevent Improper Purchases

DTIC Science & Technology

2014-12-19

track or maintain training records for ensuring A/BOs and cardholders received the initial and refresher trainings needed to properly use a GPC...required refresher training is completed. A/OPCs are also required to provide additional training on simplified acquisitions procedures to...Crystal Prestige, rectangle 8-3/4-inch 1 39.38 39.38 36 Crystal Service, Buffet 3186 1 40.00 40.00 37 Crystal Tray, Bread 2 25.00 50.00 38

Burkholderia Mallei tssM Encodes a Secreted Deubiquitinase that is Expressed Inside Infected RAW 264.7 Murine Macrophages

DTIC Science & Technology

2008-10-13

Furthermore, the encoded protein of this gene is only 30 kDa. A potential GTG start codon at position 625 also encodes a protein that is too small...horizontal bar and putative alternate translation initiation sites (ATG, GTG , and TTG) are indicated. The sizes and locations of the proteins encoded... gray line with rounded rectangles showing sequence features and motifs, including the Ala- and Pro-rich N-terminal region and the C-terminal Cys and

Utah FORGE Site Earthquake Animation

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

Joe Moore

This is a .kml earthquake animation covering the period of 1991 - 2011 for the Utah Milford FORGE site. It displays seismic events using different sized bubbles according to magnitude. It covers the general Utah FORGE area (large shaded rectangle) with the final site displayed as a smaller polygon along the northwestern margin. Earthquakes are subdivide into clusters and the time, date, and magnitude of each event is included. Nearby seismic stations are symbolized with triangles. This was created by the University of Utah Seismograph Stations (UUSS).

Analytic Simulation of the Performance of Mobile Maintenance Contact Teams

DTIC Science & Technology

1985-05-01

RECTANGULAR THE CUSTOMERS, REQUIRING MAINT SERVICE, ARE ASSUMED DISTRIBUTED WITHIN A RECTANGLE WITH DIMENSIONS ARANGE ’BY BRANGE . THE POPULATION OF...AND SERVE A CUSTOMER. ’INPUTS: ’FLAG.DIST ’FLAG.FIFO I PR I NT ARANGE ’ BRANGE SPEED 4 POP ’NSERVE MTBF MTTR AN INTEGER FLAG TO INDICATE...TEAMlS). 81 READ ARANGE 32 PRINT ’I LINE THUS INPUT THE DEPTH CCROSS-FRONTAL; DIMENSION (KM; OF THE AREA OF THE TEAMiS;. 84 READ BRANGE

Exploitation of molecular mobilities for advanced organic optoelectronic and photonic nano-materials

NASA Astrophysics Data System (ADS)

Gray, Tomoko O.

Electro-optically active organic materials have shown great potential in advanced technologies such as ultrafast electro-optical switches for broadband communication, light-emitting diodes, and photovoltaic cells. Currently, the maturity of chemical synthesis enables a sophisticated integration of the active elements into complex macromolecules. Also, the structure-property relationships of the isolated single electrically/optically active elements are well established. Unfortunately, such correlations involving single molecule are not applicable to complex unstructured condensed systems, in which unique mesoscale properties and complex dynamics of super-/supra-molecular structures are present. Our current challenge arises, in particular, from a deficiency of appropriate characterization tools that close the gap between phenomenological measurements and theoretical models. This work addresses submolecular mobilities relevant for opto-electronic functionalities of photoluminescent polymers and non-linear optical (NLO) materials. Thereby, I will introduce novel nanoscale thermomechanical characterization tools that are based on scanning force microscopy. From nanoscale thermomechanical measurements sub-/super-molecular mobilities of novel optoelectronic materials can be inferred and to some degree controlled. For instance, we have explored interfacial constraints as a engineering tool to control molecular mobility. This will be illustrated with electroluminescent polymers, which are prone to undesired pi-pi aggregation due to the rod-like structure---intrinsic to all conjugated polymers. The nanoscale confinement is used to reduced chain mobility, and thus, hinders undesired aggregation, and consequently, yields superior spectral stability. From the nanomaterial design perspective, I will also address mobility control with targeted molecular designs. This involves two classes of novel NLO materials, side-chain dendronized polymers and self-assembling molecular glasses. The side-chain dendronized polymers are, due to the structural complexity, self-constrained systems. Our thermomechanical investigations identified that a local relaxation mode associated to the NLO side-chain is the critical design parameter in yielding high mobility to the active element. Relaxation processes of the self-assembling molecular glasses are discussed from a thermodynamic perspective involving both enthalpic and entropic contributions, considering the very special nature of interactions for the NLO molecular glasses, i.e., the formation and dissociation of phenyl/perfluorophenyl quadrupol pairs.

Multi-scale thermal stability of a hard thermoplastic protein-based material

NASA Astrophysics Data System (ADS)

Latza, Victoria; Guerette, Paul A.; Ding, Dawei; Amini, Shahrouz; Kumar, Akshita; Schmidt, Ingo; Keating, Steven; Oxman, Neri; Weaver, James C.; Fratzl, Peter; Miserez, Ali; Masic, Admir

2015-09-01

Although thermoplastic materials are mostly derived from petro-chemicals, it would be highly desirable, from a sustainability perspective, to produce them instead from renewable biopolymers. Unfortunately, biopolymers exhibiting thermoplastic behaviour and which preserve their mechanical properties post processing are essentially non-existent. The robust sucker ring teeth (SRT) from squid and cuttlefish are one notable exception of thermoplastic biopolymers. Here we describe thermoplastic processing of squid SRT via hot extrusion of fibres, demonstrating the potential suitability of these materials for large-scale thermal forming. Using high-resolution in situ X-ray diffraction and vibrational spectroscopy, we elucidate the molecular and nanoscale features responsible for this behaviour and show that SRT consist of semi-crystalline polymers, whereby heat-resistant, nanocrystalline β-sheets embedded within an amorphous matrix are organized into a hexagonally packed nanofibrillar lattice. This study provides key insights for the molecular design of biomimetic protein- and peptide-based thermoplastic structural biopolymers with potential biomedical and 3D printing applications.

Challenges for single molecule electronic devices with nanographene and organic molecules. Do single molecules offer potential as elements of electronic devices in the next generation?

NASA Astrophysics Data System (ADS)

Enoki, Toshiaki; Kiguchi, Manabu

2018-03-01

Interest in utilizing organic molecules to fabricate electronic materials has existed ever since organic (molecular) semiconductors were first discovered in the 1950s. Since then, scientists have devoted serious effort to the creation of various molecule-based electronic systems, such as molecular metals and molecular superconductors. Single-molecule electronics and the associated basic science have emerged over the past two decades and provided hope for the development of highly integrated molecule-based electronic devices in the future (after the Si-based technology era has ended). Here, nanographenes (nano-sized graphene) with atomically precise structures are among the most promising molecules that can be utilized for electronic/spintronic devices. To manipulate single small molecules for an electronic device, a single molecular junction has been developed. It is a powerful tool that allows even small molecules to be utilized. External electric, magnetic, chemical, and mechanical perturbations can change the physical and chemical properties of molecules in a way that is different from bulk materials. Therefore, the various functionalities of molecules, along with changes induced by external perturbations, allows us to create electronic devices that we cannot create using current top-down Si-based technology. Future challenges that involve the incorporation of condensed matter physics, quantum chemistry calculations, organic synthetic chemistry, and electronic device engineering are expected to open a new era in single-molecule device electronic technology.

Mirrored continuum and molecular scale simulations of the ignition of gamma phase RDX

NASA Astrophysics Data System (ADS)

Stewart, D. Scott; Chaudhuri, Santanu; Joshi, Kaushik; Lee, Kiabek

2015-06-01

We consider the ignition of a high-pressure gamma-phase of an explosive crystal of RDX which forms during overdriven shock initiation. Molecular dynamics (MD), with first-principles based or reactive force field based molecular potentials, provides a description of the chemistry as an extremely complex reaction network. The results of the molecular simulation is analyzed by sorting molecular product fragments into high and low molecular groups, to represent identifiable components that can be interpreted by a continuum model. A continuum model based on a Gibbs formulation, that has a single temperature and stress state for the mixture is used to represent the same RDX material and its chemistry. Each component in the continuum model has a corresponding Gibbs continuum potential, that are in turn inferred from molecular MD informed equation of state libraries such as CHEETAH, or are directly simulated by Monte Carlo MD simulations. Information about transport, kinetic rates and diffusion are derived from the MD simulation and the growth of a reactive hot spot in the RDX is studied with both simulations that mirror the other results to provide an essential, continuum/atomistic link. Supported by N000014-12-1-0555, subaward-36561937 (ONR).

Ligand design for multidimensional magnetic materials: a metallosupramolecular perspective.

PubMed

Pardo, Emilio; Ruiz-García, Rafael; Cano, Joan; Ottenwaelder, Xavier; Lescouëzec, Rodrigue; Journaux, Yves; Lloret, Francesc; Julve, Miguel

2008-06-07

The aim and scope of this review is to show the general validity of the 'complex-as-ligand' approach for the rational design of metallosupramolecular assemblies of increasing structural and magnetic complexity. This is illustrated herein on the basis of our recent studies on oxamato complexes with transition metal ions looking for the limits of the research avenue opened by Kahn's pioneering research twenty years ago. The use as building blocks of mono-, di- and trinuclear metal complexes with a novel family of aromatic polyoxamato ligands allowed us to move further in the coordination chemistry-based approach to high-nuclearity coordination compounds and high-dimensionality coordination polymers. In order to do so, we have taken advantage of the new developments of metallosupramolecular chemistry and in particular, of the molecular-programmed self-assembly methods that exploit the coordination preferences of metal ions and specifically tailored ligands. The judicious choice of the oxamato metal building block (substitution pattern and steric requirements of the bridging ligand, as well as the electronic configuration and magnetic anisotropy of the metal ion) allowed us to control the overall structure and magnetic properties of the final multidimensional nD products (n = 0-3). These species exhibit interesting magnetic properties which are brand-new targets in the field of molecular magnetism, such as single-molecule or single-chain magnets, and the well-known class of molecule-based magnets. This unique family of molecule-based magnetic materials expands on the reported examples of nD species with cyanide and related oxalato and dithiooxalato analogues. Moreover, the development of new oxamato metal building blocks with potential photo or redox activity at the aromatic ligand counterpart will provide us with addressable, multifunctional molecular materials for future applications in molecular electronics and nanotechnology.

The effects of visual search efficiency on object-based attention

PubMed Central

Rosen, Maya; Cutrone, Elizabeth; Behrmann, Marlene

2017-01-01

The attentional prioritization hypothesis of object-based attention (Shomstein & Yantis in Perception & Psychophysics, 64, 41–51, 2002) suggests a two-stage selection process comprising an automatic spatial gradient and flexible strategic (prioritization) selection. The combined attentional priorities of these two stages of object-based selection determine the order in which participants will search the display for the presence of a target. The strategic process has often been likened to a prioritized visual search. By modifying the double-rectangle cueing paradigm (Egly, Driver, & Rafal in Journal of Experimental Psychology: General, 123, 161–177, 1994) and placing it in the context of a larger-scale visual search, we examined how the prioritization search is affected by search efficiency. By probing both targets located on the cued object and targets external to the cued object, we found that the attentional priority surrounding a selected object is strongly modulated by search mode. However, the ordering of the prioritization search is unaffected by search mode. The data also provide evidence that standard spatial visual search and object-based prioritization search may rely on distinct mechanisms. These results provide insight into the interactions between the mode of visual search and object-based selection, and help define the modulatory consequences of search efficiency for object-based attention. PMID:25832192

Graphene-based nanoprobes for molecular diagnostics.

PubMed

Chen, Shixing; Li, Fuwu; Fan, Chunhai; Song, Shiping

2015-10-07

In recent years, graphene has received widespread attention owing to its extraordinary electrical, chemical, optical, mechanical and structural properties. Lately, considerable interest has been focused on exploring the potential applications of graphene in life sciences, particularly in disease-related molecular diagnostics. In particular, the coupling of functional molecules with graphene as a nanoprobe offers an excellent platform to realize the detection of biomarkers, such as nucleic acids, proteins and other bioactive molecules, with high performance. This article reviews emerging graphene-based nanoprobes in electrical, optical and other assay methods and their application in various strategies of molecular diagnostics. In particular, this review focuses on the construction of graphene-based nanoprobes and their special advantages for the detection of various bioactive molecules. Properties of graphene-based materials and their functionalization are also comprehensively discussed in view of the development of nanoprobes. Finally, future challenges and perspectives of graphene-based nanoprobes are discussed.

Systematic detection of long-term slow slip events along Hyuga-nada to central Shikoku, Nankai subduction zone, using GNSS data

NASA Astrophysics Data System (ADS)

Takagi, R.; Obara, K.; Uchida, N.

2017-12-01

Understanding slow earthquake activity improves our knowledge of slip behavior in brittle-ductile transition zone and subduction process including megathrust earthquakes. In order to understand overall picture of slow slip activity, it is important to make a comprehensive catalog of slow slip events (SSEs). Although short-term SSEs have been detected by GNSS and tilt meter records systematically, analysis of long-term slow slip events relies on individual slip inversions. We develop an algorism to systematically detect long-term SSEs and estimate source parameters of the SSEs using GNSS data. The algorism is similar to GRiD-MT (Tsuruoka et al., 2009), which is grid-based automatic determination of moment tensor solution. Instead of moment tensor fitting to long period seismic records, we estimate parameters of a single rectangle fault to fit GNSS displacement time series. First, we make a two dimensional grid covering possible location of SSE. Second, we estimate best-fit parameters (length, width, slip, and rake) of the rectangle fault at each grid point by an iterative damped least square method. Depth, strike, and dip are fixed on the plate boundary. Ramp function with duration of 300 days is used for expressing time evolution of the fault slip. Third, a grid maximizing variance reduction is selected as a candidate of long-term SSE. We also search onset of ramp function based on the grid search. We applied the method to GNSS data in southwest Japan to detect long-term SSEs in Nankai subduction zone. With current selection criteria, we found 13 events with Mw6.2-6.9 in Hyuga-nada, Bungo channel, and central Shikoku from 1998 to 2015, which include unreported events. Key finding is along strike migrations of long-term SSEs from Hyuga-nada to Bungo channel and from Bungo channel to central Shikoku. In particular, three successive events migrating northward in Hyuga-nada preceded the 2003 Bungo channel SSE, and one event in central Shikoku followed the 2003 SSE in Bungo channel. The space-time dimensions of the possible along-strike migration are about 300km in length and 6 years in time. Systematic detection with assumptions of various durations in the time evolution of SSE may improve the picture of SSE activity and possible interaction with neighboring SSEs.

Nanoscale inhomogeneity and photoacid generation dynamics in extreme ultraviolet resist materials

NASA Astrophysics Data System (ADS)

Wu, Ping-Jui; Wang, Yu-Fu; Chen, Wei-Chi; Wang, Chien-Wei; Cheng, Joy; Chang, Vencent; Chang, Ching-Yu; Lin, John; Cheng, Yuan-Chung

2018-03-01

The development of extreme ultraviolet (EUV) lithography towards the 22 nm node and beyond depends critically on the availability of resist materials that meet stringent control requirements in resolution, line edge roughness, and sensitivity. However, the molecular mechanisms that govern the structure-function relationships in current EUV resist systems are not well understood. In particular, the nanoscale structures of the polymer base and the distributions of photoacid generators (PAGs) should play a critical roles in the performance of a resist system, yet currently available models for photochemical reactions in EUV resist systems are exclusively based on homogeneous bulk models that ignore molecular-level details of solid resist films. In this work, we investigate how microscopic molecular organizations in EUV resist affect photoacid generations in a bottom-up approach that describes structure-dependent electron-transfer dynamics in a solid film model. To this end, molecular dynamics simulations and stimulated annealing are used to obtain structures of a large simulation box containing poly(4-hydroxystyrene) (PHS) base polymers and triphenylsulfonium based PAGs. Our calculations reveal that ion-pair interactions govern the microscopic distributions of the polymer base and PAG molecules, resulting in a highly inhomogeneous system with nonuniform nanoscale chemical domains. Furthermore, the theoretical structures were used in combination of quantum chemical calculations and the Marcus theory to evaluate electron transfer rates between molecular sites, and then kinetic Monte Carlo simulations were carried out to model electron transfer dynamics with molecular structure details taken into consideration. As a result, the portion of thermalized electrons that are absorbed by the PAGs and the nanoscale spatial distribution of generated acids can be estimated. Our data reveal that the nanoscale inhomogeneous distributions of base polymers and PAGs strongly affect the electron transfer and the performance of the resist system. The implications to the performances of EUV resists and key engineering requirements for improved resist systems will also be discussed in this work. Our results shed light on the fundamental structure dependence of photoacid generation and the control of the nanoscale structures as well as base polymer-PAG interactions in EVU resist systems, and we expect these knowledge will be useful for the future development of improved EUV resist systems.

Temperature dependence of viscoelasticity of crystalline cellulose with different molecular weights added to silicone elastomer

NASA Astrophysics Data System (ADS)

Sugino, Naoto; Nakajima, Shinya; Kameda, Takao; Takei, Satoshi; Hanabata, Makoto

2017-08-01

Silicone elastomers ( polydimethylsiloxane _ PDMS) are widely used in the field of imprint lithography and microcontactprinting (μCP). When performing microcontactprinting, the mechanical properties of the PCMS as a base material have a great influence on the performance of the device. Cellulose nanofibers having features of high strength, high elasticity and low coefficient of linear expansion have attracted attention in recent years due to their characteristics. Therefore, three types of crystalline cellulose having different molecular weights were added to PDMS to prepare a composite material, and dynamic viscoelasticity was measured using a rheometer. The PDMS with the highest molecular weight crystalline cellulose added exhibited smaller storage modulus than PDMS with other molecular weight added in all temperature ranges. Furthermore, when comparing PDMS to which crystalline cellulose was added and PDMS which is not added, the storage modulus of PDMS to which cellulose was added in the low temperature region was higher than that of PDMS to which it was not added, but it was reversed in the high temperature region It was a result. When used in a low temperature range (less than 150 ° C.), it can be said that cellulose can function as a reinforcing material for PDMS.

Crystal engineering of giant molecules based on perylene diimide conjugated polyhedral oligomeric silsesquioxane nano-atom

NASA Astrophysics Data System (ADS)

Ren, He

Molecular architectures and topologies are found contributing to the formation of supramolecular structures of giant molecules. Dr. Cheng's research group developed a diverse of giant molecules via precisely controlled chemistry synthetic routes. These giant molecules can be categorized into several different families, namely giant surfactants, giant shape amphiphiles and giant polyhedron. By analyzing the hierarchical structures of these carefully designed and precisely synthesized giant molecules, the structural factors which affect, or even dominates, in some cases, the formation of supramolecular structures are revealed in these intensive researches. The results will further contribute to the understanding of dependence of supramolecular structures on molecular designs as well as molecular topology, and providing a practical solution to the scaling up of microscopic molecular functionalities to macroscopic material properties. Molecular Nano Particles (MNPs), including fullerene (C60), POSS, Polyoxometalate (POM) and proteins etc., is defined and applied as a specific type of building blocks in the design and synthesis of giant molecules. The persistence in shape and symmetry is considered as one of the major properties of MNPs. This persistence will support the construction of giant molecules for further supramolecular structures' study by introducing specific shapes, or precisely located side groups which will facilitate self-assembling behaviors with pre-programmed secondary interactions. Dictating material physical properties by its chemical composition is an attractive yet currently failed approach in the study of materials. However, the pursuit of determining material properties by microscopic molecular level properties is never seized, and found its solution when the idea of crystal engineering is raised: should each atom in the material is located exactly where it is designed to be and is properly bonded, the property of the material is hence determined. In such "bottom-up" approach, the precise fabrication of 2 nm 100 nm nanostructures, is of great research interest. In this thesis, crystal engineering of giant molecules based on PDI conjugated POSS Nano-Atom (PDI-BPOSS) nano-atoms via self-assembly is performed and studied. Herein, three different giant molecules were synthesized: shape amphiphile, m-phenyl-(PDI-BPOSS)2 (S1) and tetrahedron, R-(PDI-BPOSS)4 (S2) and S-(PDI-BPOSS)4 (S3). Single crystals were grown for S1 and S2, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and transmission electron microscopy (TEM) were performed, and crystal structures of these samples were determined, while hexagonal superlattice without crystal order can be observed for S3 to exhibit crystal-like morphology.

Examining the Self-Assembly of Rod-Coil Block Copolymers via Physics Based Polymer Models and Polarized X-Ray Scattering

NASA Astrophysics Data System (ADS)

Hannon, Adam; Sunday, Daniel; Windover, Donald; Liman, Christopher; Bowen, Alec; Khaira, Gurdaman; de Pablo, Juan; Delongchamp, Dean; Kline, R. Joseph

Photovoltaics, flexible electronics, and stimuli-responsive materials all require enhanced methodology to examine their nanoscale molecular orientation. The mechanical, electronic, optical, and transport properties of devices made from these materials are all a function of this orientation. The polymer chains in these materials are best modeled as semi-flexible to rigid rods. Characterizing the rigidity and molecular orientation of these polymers non-invasively is currently being pursued by using polarized resonant soft X-ray scattering (P-RSoXS). In this presentation, we show recent work on implementing such a characterization process using a rod-coil block copolymer system in the rigid-rod limit. We first demonstrate how we have used physics based models such as self-consistent field theory (SCFT) in non-polarized RSoXS work to fit scattering profiles for thin film coil-coil PS- b-PMMA block copolymer systems. We then show by using a wormlike chain partition function in the SCFT formulism to model the rigid-rod block, the methodology can be used there as well to extract the molecular orientation of the rod block from a simulated P-RSoXS experiment. The results from the work show the potential of the technique to extract thermodynamic and morphological sample information.

In vitro and in vivo degradation of potential anti-adhesion materials: Electrospun membranes of poly(ester-amide) based on l-phenylalanine and p-(dioxanone).

PubMed

Wang, Bing; Dong, Jun; Niu, Lijing; Chen, Wenyan; Chen, Dongliang; Shen, Chengyi; Zhu, Jiang; Zhang, Xiaoming

2017-08-01

Electrospun membranes of poly(p-dioxanone-co-l-phenylalanine) (PDPA) hold potential as an anti-adhesion material. Since adjustable degradation properties are important for anti-adhesion materials, in this study, the in vitro and in vivo degradation processes of PDPA electrospun membranes were investigated in detail. The morphological analysis of these membranes revealed the main degradation conditions of PDPA membranes. The weight remaining and molecular weight variation showed that the overall degradation rate of the membranes could be adjusted by modulating the molecular structure of the PDPAs. Especially, α-chymotrypsin could catalyze the degradation process of PDPAs. Based on these results, the in vitro degradation mechanism was demonstrated, and confirmed by 1 H NMR of the hydrolysis products. Finally, the in vivo degradation and biocompatibility of different PDPAs were investigated. The kinetic study showed that the in vitro and in vivo molecular weight loss of PDPAs have the first-order characteristics. The in vivo degradation rate of the most Phe-containing PDPA-3 is the slowest, and this result relates to the biocompatibilities of PDPAs. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 1369-1378, 2017. © 2016 Wiley Periodicals, Inc.

Novel route of synthesis for cellulose fiber-based hybrid polyurethane

NASA Astrophysics Data System (ADS)

Ikhwan, F. H.; Ilmiati, S.; Kurnia Adi, H.; Arumsari, R.; Chalid, M.

2017-07-01

Polyurethanes, obtained by the reaction of a diisocyanate compound with bifunctional or multifunctional reagent such as diols or polyols, have been studied intensively and well developed. The wide range modifier such as chemical structures and molecular weight to build polyurethanes led to designs of materials that may easily meet the functional product demand and to the extraordinary spreading of these materials in market. Properties of the obtained polymer are related to the chemical structure of polyurethane backbone. A number polyurethanes prepared from biomass-based monomers have been reported. Cellulose fiber, as a biomass material is containing abundant hydroxyl, promising material as chain extender for building hybrid polyurethanes. In previous researches, cellulose fiber was used as filler in synthesis of polyurethane composites. This paper reported a novel route of hybrid polyurethane synthesis, which a cellulose fiber was used as chain extender. The experiment performed by reacting 4,4’-Methylenebis (cyclohexyl isocyanate) (HMDI) and polyethylene glycol with variation of molecular weight to obtained pre-polyurethane, continued by adding micro fiber cellulose (MFC) with variation of type and composition in the mixture. The experiment was evaluated by NMR, FTIR, SEM and STA measurement. NMR and FTIR confirmed the reaction of the hybrid polyurethane. STA showed hybrid polyurethane has good thermal stability. SEM showed good distribution and dispersion of sorghum-based MFC.

Atomic-like high-harmonic generation from two-dimensional materials.

PubMed

Tancogne-Dejean, Nicolas; Rubio, Angel

2018-02-01

The generation of high-order harmonics from atomic and molecular gases enables the production of high-energy photons and ultrashort isolated pulses. Obtaining efficiently similar photon energy from solid-state systems could lead, for instance, to more compact extreme ultraviolet and soft x-ray sources. We demonstrate from ab initio simulations that it is possible to generate high-order harmonics from free-standing monolayer materials, with an energy cutoff similar to that of atomic and molecular gases. In the limit in which electrons are driven by the pump laser perpendicularly to the monolayer, they behave qualitatively the same as the electrons responsible for high-harmonic generation (HHG) in atoms, where their trajectories are described by the widely used semiclassical model, and exhibit real-space trajectories similar to those of the atomic case. Despite the similarities, the first and last steps of the well-established three-step model for atomic HHG are remarkably different in the two-dimensional materials from gases. Moreover, we show that the electron-electron interaction plays an important role in harmonic generation from monolayer materials because of strong local-field effects, which modify how the material is ionized. The recombination of the accelerated electron wave packet is also found to be modified because of the infinite extension of the material in the monolayer plane, thus leading to a more favorable wavelength scaling of the harmonic yield than in atomic HHG. Our results establish a novel and efficient way of generating high-order harmonics based on a solid-state device, with an energy cutoff and a more favorable wavelength scaling of the harmonic yield similar to those of atomic and molecular gases. Two-dimensional materials offer a unique platform where both bulk and atomic HHG can be investigated, depending on the angle of incidence. Devices based on two-dimensional materials can extend the limit of existing sources.

DNA nanotechnology based on i-motif structures.

PubMed

Dong, Yuanchen; Yang, Zhongqiang; Liu, Dongsheng

2014-06-17

CONSPECTUS: Most biological processes happen at the nanometer scale, and understanding the energy transformations and material transportation mechanisms within living organisms has proved challenging. To better understand the secrets of life, researchers have investigated artificial molecular motors and devices over the past decade because such systems can mimic certain biological processes. DNA nanotechnology based on i-motif structures is one system that has played an important role in these investigations. In this Account, we summarize recent advances in functional DNA nanotechnology based on i-motif structures. The i-motif is a DNA quadruplex that occurs as four stretches of cytosine repeat sequences form C·CH(+) base pairs, and their stabilization requires slightly acidic conditions. This unique property has produced the first DNA molecular motor driven by pH changes. The motor is reliable, and studies show that it is capable of millisecond running speeds, comparable to the speed of natural protein motors. With careful design, the output of these types of motors was combined to drive micrometer-sized cantilevers bend. Using established DNA nanostructure assembly and functionalization methods, researchers can easily integrate the motor within other DNA assembled structures and functional units, producing DNA molecular devices with new functions such as suprahydrophobic/suprahydrophilic smart surfaces that switch, intelligent nanopores triggered by pH changes, molecular logic gates, and DNA nanosprings. Recently, researchers have produced motors driven by light and electricity, which have allowed DNA motors to be integrated within silicon-based nanodevices. Moreover, some devices based on i-motif structures have proven useful for investigating processes within living cells. The pH-responsiveness of the i-motif structure also provides a way to control the stepwise assembly of DNA nanostructures. In addition, because of the stability of the i-motif, this structure can serve as the stem of one-dimensional nanowires, and a four-strand stem can provide a new basis for three-dimensional DNA structures such as pillars. By sacrificing some accuracy in assembly, we used these properties to prepare the first fast-responding pure DNA supramolecular hydrogel. This hydrogel does not swell and cannot encapsulate small molecules. These unique properties could lead to new developments in smart materials based on DNA assembly and support important applications in fields such as tissue engineering. We expect that DNA nanotechnology will continue to develop rapidly. At a fundamental level, further studies should lead to greater understanding of the energy transformation and material transportation mechanisms at the nanometer scale. In terms of applications, we expect that many of these elegant molecular devices will soon be used in vivo. These further studies could demonstrate the power of DNA nanotechnology in biology, material science, chemistry, and physics.

Small-scale hydrous pyrolysis of macromolecular material in meteorites

NASA Astrophysics Data System (ADS)

Sephton, M. A.; Pillinger, C. T.; Gilmour, I.

1998-12-01

The hydrous pyrolysis method, usually performed on several hundred grams of terrestrial rock sample, has been scaled down to accommodate less than two grams of meteorite sample. This technique makes full use of the high yields associated with hydrous pyrolysis experiments and permits the investigation of the meteorite macromolecular material, the major organic component in carbonaceous meteorites. The hydrous pyrolysis procedure transforms the high molecular weight macromolecular material into low molecular weight fragments. The released entities can then be extracted with supercritical fluid extraction. In contrast to the parent structure, the pyrolysis products are amenable for analysis by gas chromatography-based techniques. When subjected to hydrous pyrolysis, two carbonaceous chondrites (Orgueil and Cold Bokkeveld) released generally similar products, which consisted of abundant volatile aromatic and alkyl-substituted aromatic compounds. These results revealed the ability of small-scale hydrous pyrolysis to dissect extraterrestrial macromolecular material and thereby reveal its organic constitution.

Molecular Dynamical Simulation of Thermal Conductivity in Amorphous Structures

NASA Astrophysics Data System (ADS)

Deangelis, Freddy; Henry, Asegun

While current descriptions of thermal transport exists for well-ordered materials such as crystal latices, new methods are needed to describe thermal transport in disordered materials, including amorphous solids. Because such structures lack periodic, long-range order, a group velocity cannot be defined for thermal modes of vibration; thus, the phonon gas model cannot be applied to these structures. Instead, a new framework must be applied to analyze such materials. Using a combination of density functional theory and molecular dynamics, we have analyzed thermal transport in amorphous structures, chiefly amorphous germanium. The analysis allows us to categorize vibrational modes as propagons, diffusons, or locons, and to determine how they contribute to thermal conductivity within amorphous structures. This method is also being extended to other disordered structures such as amorphous polymers. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1148903.

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

NASA Astrophysics Data System (ADS)

Zhang, Linfeng; Han, Jiequn; Wang, Han; Car, Roberto; E, Weinan

2018-04-01

We introduce a scheme for molecular simulations, the deep potential molecular dynamics (DPMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data. The neural network model preserves all the natural symmetries in the problem. It is first-principles based in the sense that there are no ad hoc components aside from the network model. We show that the proposed scheme provides an efficient and accurate protocol in a variety of systems, including bulk materials and molecules. In all these cases, DPMD gives results that are essentially indistinguishable from the original data, at a cost that scales linearly with system size.

Laser-induced optical breakdown spectroscopy of polymer materials based on evaluation of molecular emission bands

NASA Astrophysics Data System (ADS)

Trautner, Stefan; Jasik, Juraj; Parigger, Christian G.; Pedarnig, Johannes D.; Spendelhofer, Wolfgang; Lackner, Johannes; Veis, Pavel; Heitz, Johannes

2017-03-01

Laser-induced breakdown spectroscopy (LIBS) for composition analysis of polymer materials results in optical spectra containing atomic and ionic emission lines as well as molecular emission bands. In the present work, the molecular bands are analyzed to obtain spectroscopic information about the plasma state in an effort to quantify the content of different elements in the polymers. Polyethylene (PE) and a rubber material from tire production are investigated employing 157 nm F2 laser and 532 nm Nd:YAG laser ablation in nitrogen and argon gas background or in air. The optical detection reaches from ultraviolet (UV) over the visible (VIS) to the near infrared (NIR) spectral range. In the UV/VIS range, intense molecular emissions, C2 Swan and CN violet bands, are measured with an Echelle spectrometer equipped with an intensified CCD camera. The measured molecular emission spectra can be fitted by vibrational-rotational transitions by open access programs and data sets with good agreement between measured and fitted spectra. The fits allow determining vibrational-rotational temperatures. A comparison to electronic temperatures Te derived earlier from atomic carbon vacuum-UV (VUV) emission lines show differences, which can be related to different locations of the atomic and molecular species in the expanding plasma plume. In the NIR spectral region, we also observe the CN red bands with a conventional CDD Czerny Turner spectrometer. The emission of the three strong atomic sulfur lines between 920 and 925 nm is overlapped by these bands. Fitting of the CN red bands allows a separation of both spectral contributions. This makes a quantitative evaluation of sulfur contents in the start material in the order of 1 wt% feasible.

Rotaxanes and Photovoltaic Materials Based on Pi-Conjugated Donors and Acceptors: Toward Energy Transduction on the Nanoscale

NASA Astrophysics Data System (ADS)

Bruns, Carson J.

The flow of energy between its various forms is central to our understanding of virtually all natural phenomena, from the origins and fate of the universe to the mechanisms that underpin Life. Therefore, a deeper fundamental understanding of how to manage energy processes at the molecular scale will open new doors in science and technology. This dissertation describes organic molecules and materials that are capable of transducing various forms of energy on the nanoscale, namely, a class of mechanically interlocked molecules known as rotaxanes for electrochemical-to-mechanical energy transduction (Part I), and a class of thin films known as organic photovoltaics (OPVs) for solar-to-electric energy transduction (Part II). These materials are all based on conjugated molecules with a capacity to donate or accept pi-electrons. A contemporary challenge in molecular nanotechnology is the development of artificial molecular machines (AMMs) that mimic the ability of motor proteins (e.g. myosin, kinesin) to perform mechanical work by leveraging a combination of energy sources and rich structural chemistry. Part I describes the synthesis, characterization, molecular dynamics, and switching properties of a series of `daisy chain' and oligorotaxane AMM prototypes. All compounds are templated by charge transfer and hydrogen bonding interactions between pi-associated 1,5-dioxynaphthlene donors appended with polyether groups and pi-acceptors of either neutral (naphthalenediimide) or charged (4,4´-bipyridinium) varieties, and are synthesized using efficient one-pot copper(I)-catalyzed azide-alkyne cycloaddition `click chemistry' protocols. The interlocked architectures of these rotaxanes enable them to express sophisticated secondary structures (i.e. foldamers) and mechanical motions in solution, which have been elucidated using dynamic 1H NMR spectroscopy. Furthermore, molecular dynamics simulations, cyclic voltammetry, and spectroelectrochemistry experiments have demonstrated that the muscle-like contractile-extensile motions of the daisy chains can be controlled by redox or thermal stimuli. It is concluded that donor-acceptor daisy chains and oligorotaxanes of unprecendented complexity can be readily prepared using click chemistry and actuated in solution. Motivated by the global demand for low-cost renewable energy, novel pi-donor molecules based on thiophene and diketopyrrolopyrrole (DPP) moieties are investigated in the context of thin-film materials for OPV technologies in Part II. Homologous families of small-molecule donors have been synthesized to investigate the effects of various molecular design principles on the morphological, optical, electronic, and photovoltaic properties of the corresponding thin-film materials. This strategy has been executed in the context of inorganic-organic hybrid OPVs and also more conventional bulk heterojunction (BHJ) OPVs. In the former case, a series of terthiophene surfactants with systematic variations in valency, geometry, and flexibility are electrodeposited on transparent electrodes from aqueous solutions to yield lamellar Zn(OH)2 materials with nanoscale periodicity, which are characterized by scanning electron miscroscopy and two-dimensional grazing incidence X-ray scattering. It is concluded that monovalent, flexible, linear surfactants yield the most dense and anisotropic nanostructures that are ideal for OPVs. For BHJ OPVs, the family of compounds under investigation are small molecule (SM) donors based on electron-rich heterocyclic acenes (benzodithiophene, benzodifuran, naphtho-dithiophene) and electron-poor thiophene-flanked DPP units. Single crystal X-ray structures of the SM donors are compared with morphological, hole mobility, photovoltaic efficiency data on their blends with a common fullerene acceptor to elucidate the optimal molecular design principles for this class of OPVs. It is concluded that the best-performing molecules have a symmetric architecture in which the central acene core comprises an extended pi-system.

Pronounced Effects of a Triazine Core on Photovoltaic Performance-Efficient Organic Solar Cells Enabled by a PDI Trimer-Based Small Molecular Acceptor.

PubMed

Duan, Yuwei; Xu, Xiaopeng; Yan, He; Wu, Wenlin; Li, Zuojia; Peng, Qiang

2017-02-01

A novel-small molecular acceptor with electron-deficient 1,3,5-triazine as the core and perylene diimides as the arms is developed as the acceptor material for efficient bulk heterojunction organic solar cells with an efficiency of 9.15%. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Material Ion Exchanges on the Mechanical Stiffness Properties and Shear Deformation of Hydrated Cement Material Chemistry Structure C-S-H Jennit - A Computational Modeling Study

DTIC Science & Technology

2014-01-01

Study Material properties and performance are governed by material molecular chemistry structures and molecular level interactions. Methods to...understand relationships between the material properties and performance and their correlation to the molecular level chemistry and morphology, and thus...find ways of manipulating and adjusting matters at the atomistic level in order to improve material performance are required. A computational material

Synthesis and characterization of citrate-based fluorescent small molecules and biodegradable polymers.

PubMed

Xie, Zhiwei; Kim, Jimin P; Cai, Qing; Zhang, Yi; Guo, Jinshan; Dhami, Ranjodh S; Li, Li; Kong, Bin; Su, Yixue; Schug, Kevin A; Yang, Jian

2017-03-01

Novel citric acid based photoluminescent dyes and biodegradable polymers are synthesized via a facile "one-pot" reaction. A comprehensive understanding of the fluorescence mechanisms of the resulting citric acid-based fluorophores is reported. Two distinct types of fluorophores are identified: a thiozolopyridine family with high quantum yield, long lifetime, and exceptional photostability, and a dioxopyridine family with relatively lower quantum yield, multiple lifetimes, and solvent-dependent band shifting behavior. Applications in molecular labeling and cell imaging were demonstrated. The above discoveries contribute to the field of fluorescence chemistry and have laid a solid foundation for further development of new fluorophores and materials that show promise in a diversity of fluorescence-based applications. Photoluminescent materials are pivotal for fluorescence based imaging, labeling and sensing applications. Understanding their fluorescence mechanism is challenging and imperative. We develop a new class of citric acid-derived fluorescent materials in forms of polymers and small molecular dyes by a one-step solvent free reaction. We discovered two different classes of citric acid-derived fluorophores. A two-ring thiozolopyridine structure demonstrates strong fluorescence and exceptional resistance to photo-bleaching. A one-ring dioxopyridine exhibits relative weak fluorescence but with intriguing excitation and solvent-dependent emission wavelength shifting. Our methodology of synthesizing citric acid-derived fluorophores and the understanding on their luminescence are instrumental to the design and production of a large number of new photoluminescent materials for biological and biomedical applications. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The Conductance of Porphyrin-Based Molecular Nanowires Increases with Length.

PubMed

Algethami, Norah; Sadeghi, Hatef; Sangtarash, Sara; Lambert, Colin J

2018-06-13

High electrical conductance molecular nanowires are highly desirable components for future molecular-scale circuitry, but typically molecular wires act as tunnel barriers and their conductance decays exponentially with length. Here, we demonstrate that the conductance of fused-oligo-porphyrin nanowires can be either length independent or increase with length at room temperature. We show that this negative attenuation is an intrinsic property of fused-oligo-porphyrin nanowires, but its manifestation depends on the electrode material or anchor groups. This highly desirable, nonclassical behavior signals the quantum nature of transport through such wires. It arises because with increasing length the tendency for electrical conductance to decay is compensated by a decrease in their highest occupied molecular orbital-lowest unoccupied molecular orbital gap. Our study reveals the potential of these molecular wires as interconnects in future molecular-scale circuitry.

Thermoelectricity in fullerene-metal heterojunctions.

PubMed

Yee, Shannon K; Malen, Jonathan A; Majumdar, Arun; Segalman, Rachel A

2011-10-12

Thermoelectricty in heterojunctions, where a single-molecule is trapped between metal electrodes, has been used to understand transport properties at organic-inorganic interfaces. (1) The transport in these systems is highly dependent on the energy level alignment between the molecular orbitals and the Fermi level (or work function) of the metal contacts. To date, the majority of single-molecule measurements have focused on simple small molecules where transport is dominated through the highest occupied molecular orbital. (2, 3) In these systems, energy level alignment is limited by the absence of electrode materials with low Fermi levels (i.e., large work functions). Alternatively, more controllable alignment between molecular orbitals and the Fermi level can be achieved with molecules whose transport is dominated by the lowest unoccupied molecular orbital (LUMO) because of readily available metals with lower work functions. Herein, we report molecular junction thermoelectric measurements of fullerene molecules (i.e., C(60), PCBM, and C(70)) trapped between metallic electrodes (i.e., Pt, Au, Ag). Fullerene junctions demonstrate the first strongly n-type molecular thermopower corresponding to transport through the LUMO, and the highest measured magnitude of molecular thermopower to date. While the electronic conductance of fullerenes is highly variable, due to fullerene's variable bonding geometries with the electrodes, the thermopower shows predictable trends based on the alignment of the LUMO with the work function of the electrodes. Both the magnitude and trend of the thermopower suggest that heterostructuring organic and inorganic materials at the nanoscale can further enhance thermoelectric performance, therein providing a new pathway for designing thermoelectric materials.

Phosphorus-32 in the Phage Group: radioisotopes as historical tracers of molecular biology

PubMed Central

Creager, Angela N.H.

2009-01-01

The recent historiography of molecular biology features key technologies, instruments and materials, which offer a different view of the field and its turning points than preceding intellectual and institutional histories. Radioisotopes, in this vein, became essential tools in postwar life science research, including molecular biology, and are here analyzed through their use in experiments on bacteriophage. Isotopes were especially well suited for studying the dynamics of chemical transformation over time, through metabolic pathways or life cycles. Scientists labeled phage with phosphorus-32 in order to trace the transfer of genetic material between parent and progeny in virus reproduction. Initial studies of this type did not resolve the mechanism of generational transfer but unexpectedly gave rise to a new style of molecular radiobiology based on the inactivation of phage by the radioactive decay of incorporated phosphorus-32. These ‘suicide experiments’, a preoccupation of phage researchers in the mid-1950s, reveal how molecular biologists interacted with the traditions and practices of radiation geneticists as well as those of biochemists as they were seeking to demarcate a new field. The routine use of radiolabels to visualize nucleic acids emerged as an enduring feature of molecular biological experimentation. PMID:19268872

Visualizing electron dynamics in organic materials: Charge transport through molecules and angular resolved photoemission

NASA Astrophysics Data System (ADS)

Kümmel, Stephan

Being able to visualize the dynamics of electrons in organic materials is a fascinating perspective. Simulations based on time-dependent density functional theory allow to realize this hope, as they visualize the flow of charge through molecular structures in real-space and real-time. We here present results on two fundamental processes: Photoemission from organic semiconductor molecules and charge transport through molecular structures. In the first part we demonstrate that angular resolved photoemission intensities - from both theory and experiment - can often be interpreted as a visualization of molecular orbitals. However, counter-intuitive quantum-mechanical electron dynamics such as emission perpendicular to the direction of the electrical field can substantially alter the picture, adding surprising features to the molecular orbital interpretation. In a second study we calculate the flow of charge through conjugated molecules. The calculations show in real time how breaks in the conjugation can lead to a local buildup of charge and the formation of local electrical dipoles. These can interact with neighboring molecular chains. As a consequence, collections of ''molecular electrical wires'' can show distinctly different characteristics than ''classical electrical wires''. German Science Foundation GRK 1640.

Silk/nano-material hybrid: properties and functions

NASA Astrophysics Data System (ADS)

Steven, Eden; Lebedev, Victor; Laukhina, Elena; Laukhin, Vladimir; Alamo, Rufina G.; Rovira, Concepcio; Veciana, Jaume; Brooks, James S.

2014-03-01

Silk continues to emerge as a material of interest in electronics. In this work, the interaction between silk and conducting nano-materials are investigated. Simple fabrication methods, physical, electronic, thermal, and actuation properties are reported for spider silk / carbon nanotube (CNT-SS) and Bombyx mori / (BEDT-TTF)-based organic molecular conductor hybrids (ET-S). The CNT-SS fibers are produced via water and shear assisted method, resulting in fibers that are tough, custom-shapeable, flexible, and electrically conducting. For ET-S bilayer films, a layer transfer technique is developed to deposit linked crystallites of (BEDT-TTF)2I3 molecular conductor onto silk films, generating highly piezoresistive semi-transparent films. In both cases, the hybridization allows us to gain additional functions by harnessing the water-dependent properties of silk materials, for example, as humidity sensor and electrical current- or water-driven actuators. SEM, TEM, FT-IR, and resistance measurements under varying temperature, strain, and relative humidity reveal the synergistic interactions between the bio- and nano-materials. E.S. is supported by NSF-DMR 1005293.

Oligomer Molecules for Efficient Organic Photovoltaics.

PubMed

Lin, Yuze; Zhan, Xiaowei

2016-02-16

Solar cells, a renewable, clean energy technology that efficiently converts sunlight into electricity, are a promising long-term solution for energy and environmental problems caused by a mass of production and the use of fossil fuels. Solution-processed organic solar cells (OSCs) have attracted much attention in the past few years because of several advantages, including easy fabrication, low cost, lightweight, and flexibility. Now, OSCs exhibit power conversion efficiencies (PCEs) of over 10%. In the early stage of OSCs, vapor-deposited organic dye materials were first used in bilayer heterojunction devices in the 1980s, and then, solution-processed polymers were introduced in bulk heterojunction (BHJ) devices. Relative to polymers, vapor-deposited small molecules offer potential advantages, such as a defined molecular structure, definite molecular weight, easy purification, mass-scale production, and good batch-to-batch reproducibility. However, the limited solubility and high crystallinity of vapor-deposited small molecules are unfavorable for use in solution-processed BHJ OSCs. Conversely, polymers have good solution-processing and film-forming properties and are easily processed into flexible devices, whereas their polydispersity of molecular weights and difficulty in purification results in batch to batch variation, which may hamper performance reproducibility and commercialization. Oligomer molecules (OMs) are monodisperse big molecules with intermediate molecular weights (generally in the thousands), and their sizes are between those of small molecules (generally with molecular weights <1000) and polymers (generally with molecular weights >10000). OMs not only overcome shortcomings of both vapor-deposited small molecules and solution-processed polymers, but also combine their advantages, such as defined molecular structure, definite molecular weight, easy purification, mass-scale production, good batch-to-batch reproducibility, good solution processability, and film-forming properties. Therefore, OMs are a good choice for solution-processed reproducible OSCs toward scalable commercialized applications. Considerable efforts have been dedicated to developing new OM electron donors and electron acceptors for OSCs. So far, the highest PCEs of solution-processed OSCs based on OM donors and acceptors are 9-10% and 6-7%, respectively. OM materials have become promising alternatives to polymer and/or fullerene materials for efficient and stable OSCs. In this Account, we present a brief survey of the recent developments in solution-processable OM electron donors and acceptors and their application in OSCs. Rational design of OMs with star- and linear-shaped structures based on triphenylamine, benzodithiophene, and indacenodithiophene units and their impacts on device performance are discussed. Structure-property relationships are also proposed. Furthermore, the remaining challenges and the key research directions in the near future are also addressed. In the next years, an interdisciplinary approach involving novel OM materials, especially electron acceptor materials, accurate morphology optimization, and advanced device technologies will probably bring high-efficiency and stable OSCs to final commercialization.

Unraveling the Molecular Requirements for Macroscopic Silk Supercontraction.

PubMed

Giesa, Tristan; Schuetz, Roman; Fratzl, Peter; Buehler, Markus J; Masic, Admir

2017-10-24

Spider dragline silk is a protein material that has evolved over millions of years to achieve finely tuned mechanical properties. A less known feature of some dragline silk fibers is that they shrink along the main axis by up to 50% when exposed to high humidity, a phenomenon called supercontraction. This contrasts the typical behavior of many other materials that swell when exposed to humidity. Molecular level details and mechanisms of the supercontraction effect are heavily debated. Here we report a molecular dynamics analysis of supercontraction in Nephila clavipes silk combined with in situ mechanical testing and Raman spectroscopy linking the reorganization of the nanostructure to the polar and charged amino acids in the sequence. We further show in our in silico approach that point mutations of these groups not only suppress the supercontraction effect, but even reverse it, while maintaining the exceptional mechanical properties of the silk material. This work has imminent impact on the design of biomimetic equivalents and recombinant silks for which supercontraction may or may not be a desirable feature. The approach applied is appropriate to explore the effect of point mutations on the overall physical properties of protein based materials.

Modeling of amorphous SiCxO6/5 by classical molecular dynamics and first principles calculations.

PubMed

Liao, Ningbo; Zhang, Miao; Zhou, Hongming; Xue, Wei

2017-02-14

Polymer-derived silicon oxycarbide (SiCO) presents excellent performance for high temperature and lithium-ion battery applications. Current experiments have provided some information on nano-structure of SiCO, while it is very challenging for experiments to take further insight into the molecular structure and its relationship with properties of materials. In this work, molecular dynamics (MD) based on empirical potential and first principle calculation were combined to investigate amorphous SiC x O 6/5 ceramics. The amorphous structures of SiCO containing silicon-centered mix bond tetrahedrons and free carbon were successfully reproduced. The calculated radial distribution, angular distribution and Young's modulus were validated by current experimental data, and more details on molecular structure were discussed. The change in the slope of Young's modulus is related to the glass transition temperature of the material. The proposed modeling approach can be used to predict the properties of SiCO with different compositions.

Modeling of amorphous SiCxO6/5 by classical molecular dynamics and first principles calculations

NASA Astrophysics Data System (ADS)

Liao, Ningbo; Zhang, Miao; Zhou, Hongming; Xue, Wei

2017-02-01

Polymer-derived silicon oxycarbide (SiCO) presents excellent performance for high temperature and lithium-ion battery applications. Current experiments have provided some information on nano-structure of SiCO, while it is very challenging for experiments to take further insight into the molecular structure and its relationship with properties of materials. In this work, molecular dynamics (MD) based on empirical potential and first principle calculation were combined to investigate amorphous SiCxO6/5 ceramics. The amorphous structures of SiCO containing silicon-centered mix bond tetrahedrons and free carbon were successfully reproduced. The calculated radial distribution, angular distribution and Young’s modulus were validated by current experimental data, and more details on molecular structure were discussed. The change in the slope of Young’s modulus is related to the glass transition temperature of the material. The proposed modeling approach can be used to predict the properties of SiCO with different compositions.

The use of digital PCR to improve the application of quantitative molecular diagnostic methods for tuberculosis.

PubMed

Devonshire, Alison S; O'Sullivan, Denise M; Honeyborne, Isobella; Jones, Gerwyn; Karczmarczyk, Maria; Pavšič, Jernej; Gutteridge, Alice; Milavec, Mojca; Mendoza, Pablo; Schimmel, Heinz; Van Heuverswyn, Fran; Gorton, Rebecca; Cirillo, Daniela Maria; Borroni, Emanuele; Harris, Kathryn; Barnard, Marinus; Heydenrych, Anthenette; Ndusilo, Norah; Wallis, Carole L; Pillay, Keshree; Barry, Thomas; Reddington, Kate; Richter, Elvira; Mozioğlu, Erkan; Akyürek, Sema; Yalçınkaya, Burhanettin; Akgoz, Muslum; Žel, Jana; Foy, Carole A; McHugh, Timothy D; Huggett, Jim F

2016-08-03

Real-time PCR (qPCR) based methods, such as the Xpert MTB/RIF, are increasingly being used to diagnose tuberculosis (TB). While qualitative methods are adequate for diagnosis, the therapeutic monitoring of TB patients requires quantitative methods currently performed using smear microscopy. The potential use of quantitative molecular measurements for therapeutic monitoring has been investigated but findings have been variable and inconclusive. The lack of an adequate reference method and reference materials is a barrier to understanding the source of such disagreement. Digital PCR (dPCR) offers the potential for an accurate method for quantification of specific DNA sequences in reference materials which can be used to evaluate quantitative molecular methods for TB treatment monitoring. To assess a novel approach for the development of quality assurance materials we used dPCR to quantify specific DNA sequences in a range of prototype reference materials and evaluated accuracy between different laboratories and instruments. The materials were then also used to evaluate the quantitative performance of qPCR and Xpert MTB/RIF in eight clinical testing laboratories. dPCR was found to provide results in good agreement with the other methods tested and to be highly reproducible between laboratories without calibration even when using different instruments. When the reference materials were analysed with qPCR and Xpert MTB/RIF by clinical laboratories, all laboratories were able to correctly rank the reference materials according to concentration, however there was a marked difference in the measured magnitude. TB is a disease where the quantification of the pathogen could lead to better patient management and qPCR methods offer the potential to rapidly perform such analysis. However, our findings suggest that when precisely characterised materials are used to evaluate qPCR methods, the measurement result variation is too high to determine whether molecular quantification of Mycobacterium tuberculosis would provide a clinically useful readout. The methods described in this study provide a means by which the technical performance of quantitative molecular methods can be evaluated independently of clinical variability to improve accuracy of measurement results. These will assist in ultimately increasing the likelihood that such approaches could be used to improve patient management of TB.

Head rice rate measurement based on concave point matching

PubMed Central

Yao, Yuan; Wu, Wei; Yang, Tianle; Liu, Tao; Chen, Wen; Chen, Chen; Li, Rui; Zhou, Tong; Sun, Chengming; Zhou, Yue; Li, Xinlu

2017-01-01

Head rice rate is an important factor affecting rice quality. In this study, an inflection point detection-based technology was applied to measure the head rice rate by combining a vibrator and a conveyor belt for bulk grain image acquisition. The edge center mode proportion method (ECMP) was applied for concave points matching in which concave matching and separation was performed with collaborative constraint conditions followed by rice length calculation with a minimum enclosing rectangle (MER) to identify the head rice. Finally, the head rice rate was calculated using the sum area of head rice to the overall coverage of rice. Results showed that bulk grain image acquisition can be realized with test equipment, and the accuracy rate of separation of both indica rice and japonica rice exceeded 95%. An increase in the number of rice did not significantly affect ECMP and MER. High accuracy can be ensured with MER to calculate head rice rate by narrowing down its relative error between real values less than 3%. The test results show that the method is reliable as a reference for head rice rate calculation studies. PMID:28128315

Programmed self-assembly of DNA/RNA for biomedical applications

NASA Astrophysics Data System (ADS)

Wang, Pengfei

Three self-assembly strategies were utilized for assembly of novel functional DNA/RNA nanostructures. RNA-DNA hybrid origami method was developed to fabricate nano-objects (ribbon, rectangle, and triangle) with precisely controlled geometry. Unlike conventional DNA origami which use long DNA single strand as scaffold, a long RNA single strand was used instead, which was folded by short DNA single strands (staples) into prescribed objects through sequence specific hybridization between RNA and DNA. Single stranded tiles (SST) and RNA-DNA hybrid origami were utilized to fabricate a variety of barcode-like nanostructures with unique patterns by expanding a plain rectangle via introducing spacers (10-bp dsDNA segment) between parallel duplexes. Finally, complex 2D array and 3D polyhedrons with multiple patterns within one structure were assembled from simple DNA motifs. Two demonstrations of biomedical applications of DNA nanotechnology were presented. Firstly, lambda-DNA was used as template to direct the fabrication of multi-component magnetic nanoparticle chains. Nuclear magnetic relaxation (NMR) characterization showed superb magnetic relaxativity of the nanoparticle chains which have large potential to be utilized as MRI contrast agents. Secondly, DNA nanotechnology was introduced into the conformational study of a routinely used catalytic DNAzyme, the RNA-cleaving 10-23 DNAzyme. The relative angle between two flanking duplexes of the catalytic core was determined (94.8°), which shall be able to provide a clue to further understanding of the cleaving mechanism of this DNAzyme from a conformational perspective.

Infrared thermography of the udder surface of dairy cattle: characteristics, methods, and correlation with rectal temperature.

PubMed

Metzner, Moritz; Sauter-Louis, Carola; Seemueller, Andrea; Petzl, Wolfram; Klee, Wolfgang

2014-01-01

Thermograms of the caudal udder surface were taken of five healthy cows before and after inoculation of Escherichia coli into the right hind quarter. Images in clinically normal udder quarters from cows without fever (CN) were compared with those post inoculation when cows had fever (⩾ 39.5°C) and showed elevation of somatic cell counts (⩾ 400,000 cells/mL) in the inoculated quarter (CM). Using graphic software tools, different geometric analysis tools (GATs: polygons, rectangles, lines) were set within the thermographic images. The following descriptive parameters (DPs) were employed: minimum value ('min'), maximum value ('max'), range ('max-min'), and arithmetic mean ('am'). Surface temperatures in group CN were between 34.1°C ('polygons'/'min') and 37.9°C ('polygons'/'max'), and in group CM between 34.5°C ('polygons'/'min') and 40.0°C ('polygons'/'max'). The greatest differences in the temperatures between CN and CM (2.06°C) were found in 'polygons' and 'rectangles' using 'max'. The smallest coefficient of variation in triplicate determinations was found in GAT 'polygons' with DP 'max' (Tmax) (0.15%), and the relationship to the rectal body temperature (Tr) could be described by Tr=5.68+0.874*Tmax. The results show that significant changes can be displayed best using the GAT 'polygons' and the DP 'max'. These methods should be considered for automated monitoring of udder health in dairy cows. Copyright © 2013 Elsevier Ltd. All rights reserved.

Simulation Exploration through Immersive Parallel Planes

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

Brunhart-Lupo, Nicholas J; Bush, Brian W; Gruchalla, Kenny M

We present a visualization-driven simulation system that tightly couples systems dynamics simulations with an immersive virtual environment to allow analysts to rapidly develop and test hypotheses in a high-dimensional parameter space. To accomplish this, we generalize the two-dimensional parallel-coordinates statistical graphic as an immersive 'parallel-planes' visualization for multivariate time series emitted by simulations running in parallel with the visualization. In contrast to traditional parallel coordinate's mapping the multivariate dimensions onto coordinate axes represented by a series of parallel lines, we map pairs of the multivariate dimensions onto a series of parallel rectangles. As in the case of parallel coordinates, eachmore » individual observation in the dataset is mapped to a polyline whose vertices coincide with its coordinate values. Regions of the rectangles can be 'brushed' to highlight and select observations of interest: a 'slider' control allows the user to filter the observations by their time coordinate. In an immersive virtual environment, users interact with the parallel planes using a joystick that can select regions on the planes, manipulate selection, and filter time. The brushing and selection actions are used to both explore existing data as well as to launch additional simulations corresponding to the visually selected portions of the input parameter space. As soon as the new simulations complete, their resulting observations are displayed in the virtual environment. This tight feedback loop between simulation and immersive analytics accelerates users' realization of insights about the simulation and its output.« less

Amodal representation of occluded surfaces: role of invisible stimuli in apparent motion correspondence.

PubMed

Shimojo, S; Nakayama, K

1990-01-01

A series of demonstrations were created where the perceived depth of targets was controlled by stereoscopic disparity. A closer object (a cloud) was made to jump back and forth horizontally, partially occluding a farther object (a full moon). The more distant moon appeared stationary even though the unoccluded portion of it, a crescent, changed position. Reversal of the relative depth of the moon and cloud gave a totally different percept: the crescent appeared to flip back and forth in the front depth plane. Thus, the otherwise-robust apparent motion of the moon crescents was completely abolished in the cloud-closer case alone. This motion-blocking effect is attributed to the 'amodal presence' of the occluded surface continuing behind the occluding surface. To measure the effect of this occluded 'invisible' surface quantitatively, a bistable apparent motion display was used (Ramachandran and Anstis 1983a): two small rectangular-shaped targets changed their positions back and forth between two frames, and the disparity of a large centrally positioned rectangle was varied. When the perceived depths supported the possibility of amodal completion behind the large rectangle, increased vertical motion of the targets was found, suggesting that the amodal presence of the targets behind the occluder had effectively changed the center position of the moving targets for purposes of motion correspondence. Amodal contours are literally 'invisible', yet it is hypothesized that they have a neural representation at sufficiently early stages of visual processing to alter the correspondence solving process for apparent motion.

Simulation Exploration through Immersive Parallel Planes: Preprint

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

Brunhart-Lupo, Nicholas; Bush, Brian W.; Gruchalla, Kenny

We present a visualization-driven simulation system that tightly couples systems dynamics simulations with an immersive virtual environment to allow analysts to rapidly develop and test hypotheses in a high-dimensional parameter space. To accomplish this, we generalize the two-dimensional parallel-coordinates statistical graphic as an immersive 'parallel-planes' visualization for multivariate time series emitted by simulations running in parallel with the visualization. In contrast to traditional parallel coordinate's mapping the multivariate dimensions onto coordinate axes represented by a series of parallel lines, we map pairs of the multivariate dimensions onto a series of parallel rectangles. As in the case of parallel coordinates, eachmore » individual observation in the dataset is mapped to a polyline whose vertices coincide with its coordinate values. Regions of the rectangles can be 'brushed' to highlight and select observations of interest: a 'slider' control allows the user to filter the observations by their time coordinate. In an immersive virtual environment, users interact with the parallel planes using a joystick that can select regions on the planes, manipulate selection, and filter time. The brushing and selection actions are used to both explore existing data as well as to launch additional simulations corresponding to the visually selected portions of the input parameter space. As soon as the new simulations complete, their resulting observations are displayed in the virtual environment. This tight feedback loop between simulation and immersive analytics accelerates users' realization of insights about the simulation and its output.« less

Normative data for three tests of visuocognitive function in primary school children: cross-sectional study.

PubMed

Williams, Cathy; Gilchrist, Iain D; Fraser, Sue; McCarthy, H M; Parker, Julie; Warnes, Penny; Young, Jill; Hyvarinen, Lea

2015-06-01

There is an increasing recognition that visuocognitive difficulties occur in children with neurodevelopmental problems. We obtained normative data for the performance of primary school children using three tests of visuocognitive function that are practicable in a clinical setting. We tested 214 children aged between 4 and 11 years without known developmental problems, using tests to assess (1) orientation recognition and adaptive movement (postbox task), (2) object recognition (rectangles task) and (3) spatial integration (contours task). 96% could do the postbox task with ease-only 4% (all aged <9 years) exhibited minor difficulties. Errors in the rectangles task decreased with age: 33% of children aged 4-5 years had major difficulties but >99% of children aged ≥6 years had no, or minor, difficulties. Median scores for the contours task improved with age, and after age 8 years, 99% could see the contour using long-range spatial integration rather than density. These different aspects of children's visuocognitive performance were testable in a field setting. The data provide a benchmark by which to judge performance of children with neurodevelopmental problems and may be useful in assessment with a view to providing effective supportive strategies for children whose visuocognitive skills are lower than the expectation for their age. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

Molecular Weight Effects on the Viscoelastic Response of a Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2000-01-01

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC -SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of each material with different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have increased creep compliance and creep compliance rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of approximately 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly.

Fibrin-based biomaterials: Modulation of macroscopic properties through rational design at the molecular level

PubMed Central

Brown, Ashley C.; Barker, Thomas H.

2013-01-01

Fibrinogen is one of the primary components of the coagulation cascade and rapidly forms an insoluble matrix following tissue injury. In addition to its important role in hemostasis, fibrin acts as a scaffold for tissue repair and provides important cues for directing cell phenotype following injury. Because of these properties and the ease of polymerization of the material, fibrin has been widely utilized as a biomaterial for over a century. Modifying the macroscopic properties of fibrin, such as elasticity and porosity, has been somewhat elusive until recently, yet with a molecular-level rational design approach can now be somewhat easily modified through alterations of molecular interactions key to the protein’s polymerization process. This review outlines the biochemistry of fibrin and discusses methods for modification of molecular interactions and their application to fibrin based biomaterials. PMID:24056097

Bottlebrush elastomers: a promising molecular engineering route to tunable, prestrain-free dielectric elastomers (Conference Presentation)

NASA Astrophysics Data System (ADS)

Vatankhah-Varnosfaderani, Mohammad; Daniel, William F. M.; Zhushma, Alexandr P.; Li, Qiaoxi; Morgan, Benjamin J.; Matyjaszewski, Krzysztof; Armstrong, Daniel P.; Dobrynin, Andrey V.; Sheyko, Sergei S.; Spontak, Richard J.

2017-04-01

Electroactive polymers (EAPs) refer to a broad range of relatively soft materials that change size and/or shape upon application of an electrical stimulus. Of these, dielectric elastomers (DEs) generated from either chemically- or physically-crosslinked polymer networks afford the highest levels of electroactuation strain, thereby making this class of EAPs the leading technology for artificial-muscle applications. While mechanically prestraining elastic networks remarkably enhances DEs electroactuation, external prestrain protocols severely limit both actuator performance and device implementation due to gradual DE stress relaxation and the presence of a cumbersome load frame. These drawbacks have persisted with surprisingly minimal advances in the actuation of single-component elastomers since the dawn of the "pre-strain era" introduced by Pelrine et al. (Science, 2000). In this work, we present a bottom-up, molecular-based strategy for the design of prestrain-free (freestanding) DEs derived from covalently-crosslinked bottlebrush polymers. This architecture, wherein design factors such as crosslink density, graft density and graft length can all be independently controlled, yields inherently strained polymer networks that can be readily adapted to a variety of chemistries. To validate the use of these molecularly-tunable materials as DEs, we have synthesized a series of bottlebrush silicone elastomers in as-cast shapes. Examination of these materials reveals that they undergo giant electroactuation strains (>300%) at relatively low fields (<10 V/m), thereby outperforming all commercial DEs to date and opening new opportunities in responsive soft-material technologies (e.g., robotics). The molecular design approach to controlling (electro)mechanical developed here is independent of chemistry and permits access to an unprecedented range of actuation properties from elastomeric materials with traditionally modest electroactuation performance (e.g., polydimethylsiloxane, PDMS). Experimental results obtained here compare favorably with theoretical predictions and demonstrate that the unique behavior of these materials is a direct consequence of the molecular architecture.

Computational Nanotechnology of Materials, Devices, and Machines: Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Kwak, Dolhan (Technical Monitor)

2000-01-01

The mechanics and chemistry of carbon nanotubes have relevance for their numerous electronic applications. Mechanical deformations such as bending and twisting affect the nanotube's conductive properties, and at the same time they possess high strength and elasticity. Two principal techniques were utilized including the analysis of large scale classical molecular dynamics on a shared memory architecture machine and a quantum molecular dynamics methodology. In carbon based electronics, nanotubes are used as molecular wires with topological defects which are mediated through various means. Nanotubes can be connected to form junctions.

How does the molecular network structure influence PDMS elastomer wettability?

NASA Astrophysics Data System (ADS)

Melillo, Matthew; Genzer, Jan

Poly(dimethylsiloxane) (PDMS) is one of the most common elastomers, with applications ranging from medical devices to absorbents for water treatment. Fundamental understanding of how liquids spread on the surface of and absorb into PDMS networks is of critical importance for the design and use of another application - microfluidic devices. We have systematically studied the effects of polymer molecular weight, loading of tetra-functional crosslinker, end-group chemical functionality, and the extent of dilution of the curing mixture on the mechanical and surface properties of end-linked PDMS networks. The gel and sol fractions, storage and loss moduli, liquid swelling ratios, and water contact angles have all been shown to vary greatly based on the aforementioned variables. Similar trends were observed for the commercial PDMS material, Sylgard-184. Our results have confirmed theories predicting the relationships between modulus and swelling. Furthermore, we have provided new evidence for the strong influence that substrate modulus and molecular network structure have on the wettability of PDMS elastomers. These findings will aid in the design and implementation of efficient microfluidics and other PDMS-based materials that involve the transport of liquids.

Spatially Controlled Noncovalent Functionalization of 2D Materials Based on Molecular Architecture.

PubMed

Bang, Jae Jin; Porter, Ashlin G; Davis, Tyson C; Hayes, Tyler R; Claridge, Shelley A

2018-05-15

Polymerizable amphiphiles can be assembled into lying-down phases on 2D materials such as graphite and graphene to create chemically orthogonal surface patterns at 5-10 nm scales, locally modulating functionality of the 2D basal plane. Functionalization can be carried out through Langmuir-Schaefer conversion, in which a subset of molecules is transferred out of a standing phase film on water onto the 2D substrate. Here, we leverage differences in molecular structure to spatially control transfer at both nanoscopic and microscopic scales. We compare transfer properties of five different single- and dual-chain amphiphiles, demonstrating that those with strong lateral interactions (e.g., hydrogen-bonding networks) exhibit the lowest transfer efficiencies. Since molecular structures also influence microscopic domain morphologies in Langmuir films, we show that it is possible to transfer such microscale patterns, taking advantage of variations in the local transfer rates based on the structural heterogeneity in Langmuir films. Nanoscale domain morphologies also vary in ways that are consistent with predicted relative transfer and diffusion rates. These results suggest strategies to tailor noncovalent functionalization of 2D substrates through controlled LS transfer.

Surface and Interface Engineering of Noble-Metal-Free Electrocatalysts for Efficient Energy Conversion Processes.

PubMed

Zhu, Yun Pei; Guo, Chunxian; Zheng, Yao; Qiao, Shi-Zhang

2017-04-18

Developing cost-effective and high-performance electrocatalysts for renewable energy conversion and storage is motivated by increasing concerns regarding global energy security and creating sustainable technologies dependent on inexpensive and abundant resources. Recent achievements in the design and synthesis of efficient non-precious-metal and even non-metal electrocatalysts make the replacement of noble metal counterparts for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) with earth-abundant elements, for example, C, N, Fe, Mn, and Co, a realistic possibility. It has been found that surface atomic engineering (e.g., heteroatom-doping) and interface atomic or molecular engineering (e.g., interfacial bonding) can induce novel physicochemical properties and strong synergistic effects for electrocatalysts, providing new and efficient strategies to greatly enhance the catalytic activities. In this Account, we discuss recent progress in the design and fabrication of efficient electrocatalysts based on carbon materials, graphitic carbon nitride, and transition metal oxides or hydroxides for efficient ORR, OER, and HER through surface and interfacial atomic and molecular engineering. Atomic and molecular engineering of carbon materials through heteroatom doping with one or more elements of noticeably different electronegativities can maximally tailor their electronic structures and induce a synergistic effect to increase electrochemical activity. Nonetheless, the electrocatalytic performance of chemically modified carbonaceous materials remains inferior to that of their metallic counterparts, which is mainly due to the relatively limited amount of electrocatalytic active sites induced by heteroatom doping. Accordingly, coupling carbon substrates with other active electrocatalysts to produce composite structures can impart novel physicochemical properties, thereby boosting the electroactivity even further. Although the majority of carbon-based materials remain uncompetitive with state-of-the-art metal-based catalysts for the aforementioned catalytic processes, non-metal carbon hybrids have already shown performance that typically only conventional noble metals or transition metal materials can achieve. The idea of hybridized carbon-based catalysts possessing unique active surfaces and macro- or nanostructures is addressed herein. For metal-carbon couples, the incorporation of carbon can effectively compensate for the intrinsic deficiency in conductivity of the metallic components. Chemical modification of carbon frameworks, such as nitrogen doping, not only can change the electron-donor character, but also can introduce anchoring sites for immobilizing active metallic centers to form metal-nitrogen-carbon (M-N-C) species, which are thought to facilitate the electrocatalytic process. With thoughtful material design, control over the porosity of composites, the molecular architecture of active metal moieties and macromorphologies of the whole catalysts can be achieved, leading to a better understanding structure-activity relationships. We hope that we can offer new insight into material design, particularly the role of chemical composition and structural properties in electrochemical performance and reaction mechanisms.

Geometry induced sequence of nanoscale Frank–Kasper and quasicrystal mesophases in giant surfactants

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

Yue, Kan; Huang, Mingjun; Marson, Ryan L.

Frank–Kasper (F-K) and quasicrystal phases were originally identified in metal alloys and only sporadically reported in soft materials. These unconventional sphere-packing schemes open up possibilities to design materials with different properties. The challenge in soft materials is how to correlate complex phases built from spheres with the tunable parameters of chemical composition and molecular architecture. Here, we report a complete sequence of various highly ordered mesophases by the self-assembly of specifically designed and synthesized giant surfactants, which are conjugates of hydrophilic polyhedral oligomeric silsesquioxane cages tethered with hydrophobic polystyrene tails. We show that the occurrence of these mesophases results frommore » nanophase separation between the heads and tails and thus is critically dependent on molecular geometry. Variations in molecular geometry achieved by changing the number of tails from one to four not only shift compositional phase boundaries but also stabilize F-K and quasicrystal phases in regions where simple phases of spheroidal micelles are typically observed. These complex self-assembled nanostructures have been identified by combining X-ray scattering techniques and real-space electron microscopy images. Brownian dynamics simulations based on a simplified molecular model confirm the architecture-induced sequence of phases. Our results demonstrate the critical role of molecular architecture in dictating the formation of supramolecular crystals with “soft” spheroidal motifs and provide guidelines to the design of unconventional self-assembled nanostructures.« less

Geometry induced sequence of nanoscale Frank–Kasper and quasicrystal mesophases in giant surfactants

PubMed Central

Yue, Kan; Huang, Mingjun; Marson, Ryan L.; He, Jinlin; Huang, Jiahao; Zhou, Zhe; Wang, Jing; Liu, Chang; Yan, Xuesheng; Wu, Kan; Guo, Zaihong; Liu, Hao; Ni, Peihong; Wesdemiotis, Chrys; Zhang, Wen-Bin; Glotzer, Sharon C.; Cheng, Stephen Z. D.

2016-01-01

Frank–Kasper (F-K) and quasicrystal phases were originally identified in metal alloys and only sporadically reported in soft materials. These unconventional sphere-packing schemes open up possibilities to design materials with different properties. The challenge in soft materials is how to correlate complex phases built from spheres with the tunable parameters of chemical composition and molecular architecture. Here, we report a complete sequence of various highly ordered mesophases by the self-assembly of specifically designed and synthesized giant surfactants, which are conjugates of hydrophilic polyhedral oligomeric silsesquioxane cages tethered with hydrophobic polystyrene tails. We show that the occurrence of these mesophases results from nanophase separation between the heads and tails and thus is critically dependent on molecular geometry. Variations in molecular geometry achieved by changing the number of tails from one to four not only shift compositional phase boundaries but also stabilize F-K and quasicrystal phases in regions where simple phases of spheroidal micelles are typically observed. These complex self-assembled nanostructures have been identified by combining X-ray scattering techniques and real-space electron microscopy images. Brownian dynamics simulations based on a simplified molecular model confirm the architecture-induced sequence of phases. Our results demonstrate the critical role of molecular architecture in dictating the formation of supramolecular crystals with “soft” spheroidal motifs and provide guidelines to the design of unconventional self-assembled nanostructures. PMID:27911786

How Molecular Structure Affects Mechanical Properties of an Advanced Polymer

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.; Hinkley, Jeffrey A.

2000-01-01

density was performed over a range of temperatures below the glass transition temperature. The physical characterization, elastic properties and notched tensile strength all as a function of molecular weight and test temperature were determined. For the uncrosslinked SI material, it was shown that notched tensile strength is a strong function of both temperature and molecular weight, whereas stiffness is only a strong function of temperature. For the crosslinked PETI-SI material, it was shown that the effect of crosslinking significantly enhances the mechanical performance of the low molecular weight material; comparable to that exhibited by the high molecular weight material.

Molecular approaches to solar energy conversion: the energetic cost of charge separation from molecular-excited states.

PubMed

Durrant, James R

2013-08-13

This review starts with a brief overview of the technological potential of molecular-based solar cell technologies. It then goes on to focus on the core scientific challenge associated with using molecular light-absorbing materials for solar energy conversion, namely the separation of short-lived, molecular-excited states into sufficiently long-lived, energetic, separated charges capable of generating an external photocurrent. Comparisons are made between different molecular-based solar cell technologies, with particular focus on the function of dye-sensitized photoelectrochemical solar cells as well as parallels with the function of photosynthetic reaction centres. The core theme of this review is that generating charge carriers with sufficient lifetime and a high quantum yield from molecular-excited states comes at a significant energetic cost-such that the energy stored in these charge-separated states is typically substantially less than the energy of the initially generated excited state. The role of this energetic loss in limiting the efficiency of solar energy conversion by such devices is emphasized, and strategies to minimize this energy loss are compared and contrasted.

Robust Spacecraft Component Detection in Point Clouds.

PubMed

Wei, Quanmao; Jiang, Zhiguo; Zhang, Haopeng

2018-03-21

Automatic component detection of spacecraft can assist in on-orbit operation and space situational awareness. Spacecraft are generally composed of solar panels and cuboidal or cylindrical modules. These components can be simply represented by geometric primitives like plane, cuboid and cylinder. Based on this prior, we propose a robust automatic detection scheme to automatically detect such basic components of spacecraft in three-dimensional (3D) point clouds. In the proposed scheme, cylinders are first detected in the iteration of the energy-based geometric model fitting and cylinder parameter estimation. Then, planes are detected by Hough transform and further described as bounded patches with their minimum bounding rectangles. Finally, the cuboids are detected with pair-wise geometry relations from the detected patches. After successive detection of cylinders, planar patches and cuboids, a mid-level geometry representation of the spacecraft can be delivered. We tested the proposed component detection scheme on spacecraft 3D point clouds synthesized by computer-aided design (CAD) models and those recovered by image-based reconstruction, respectively. Experimental results illustrate that the proposed scheme can detect the basic geometric components effectively and has fine robustness against noise and point distribution density.

Robust Spacecraft Component Detection in Point Clouds

PubMed Central

Wei, Quanmao; Jiang, Zhiguo

2018-01-01

Automatic component detection of spacecraft can assist in on-orbit operation and space situational awareness. Spacecraft are generally composed of solar panels and cuboidal or cylindrical modules. These components can be simply represented by geometric primitives like plane, cuboid and cylinder. Based on this prior, we propose a robust automatic detection scheme to automatically detect such basic components of spacecraft in three-dimensional (3D) point clouds. In the proposed scheme, cylinders are first detected in the iteration of the energy-based geometric model fitting and cylinder parameter estimation. Then, planes are detected by Hough transform and further described as bounded patches with their minimum bounding rectangles. Finally, the cuboids are detected with pair-wise geometry relations from the detected patches. After successive detection of cylinders, planar patches and cuboids, a mid-level geometry representation of the spacecraft can be delivered. We tested the proposed component detection scheme on spacecraft 3D point clouds synthesized by computer-aided design (CAD) models and those recovered by image-based reconstruction, respectively. Experimental results illustrate that the proposed scheme can detect the basic geometric components effectively and has fine robustness against noise and point distribution density. PMID:29561828

Spatiotemporal Interpolation Methods for Solar Event Trajectories

NASA Astrophysics Data System (ADS)

Filali Boubrahimi, Soukaina; Aydin, Berkay; Schuh, Michael A.; Kempton, Dustin; Angryk, Rafal A.; Ma, Ruizhe

2018-05-01

This paper introduces four spatiotemporal interpolation methods that enrich complex, evolving region trajectories that are reported from a variety of ground-based and space-based solar observatories every day. Our interpolation module takes an existing solar event trajectory as its input and generates an enriched trajectory with any number of additional time–geometry pairs created by the most appropriate method. To this end, we designed four different interpolation techniques: MBR-Interpolation (Minimum Bounding Rectangle Interpolation), CP-Interpolation (Complex Polygon Interpolation), FI-Interpolation (Filament Polygon Interpolation), and Areal-Interpolation, which are presented here in detail. These techniques leverage k-means clustering, centroid shape signature representation, dynamic time warping, linear interpolation, and shape buffering to generate the additional polygons of an enriched trajectory. Using ground-truth objects, interpolation effectiveness is evaluated through a variety of measures based on several important characteristics that include spatial distance, area overlap, and shape (boundary) similarity. To our knowledge, this is the first research effort of this kind that attempts to address the broad problem of spatiotemporal interpolation of solar event trajectories. We conclude with a brief outline of future research directions and opportunities for related work in this area.

The Causes of Blistering in Boat Building Materials

DTIC Science & Technology

1986-08-01

acrylate units (MET) Ethylene glycol (MET) Propylene glycol (MET) Neopentyl glycol (NET) Maleic acid or anhydride (unsaturated) (NET) lumaric acid...PROPYLENE GLYCOL OPA ORTHOPHTHALIC ACID VINYL - URETHANE BASED POLYESTER IqPG NEOPENTYL GLYCOL RESIN EG - ETHYLENE GLYCOL TMPD - 22,, - TRiMETHY...IPA Isophthalic acid WSN Low molecular weight water soluble material NPG Neopentyl glycol OPA Orthophthalio acid PG Propylene glycol MEKP Hethyl

Elastic and thermal expansion asymmetry in dense molecular materials.

PubMed

Burg, Joseph A; Dauskardt, Reinhold H

2016-09-01

The elastic modulus and coefficient of thermal expansion are fundamental properties of elastically stiff molecular materials and are assumed to be the same (symmetric) under both tension and compression loading. We show that molecular materials can have a marked asymmetric elastic modulus and coefficient of thermal expansion that are inherently related to terminal chemical groups that limit molecular network connectivity. In compression, terminal groups sterically interact to stiffen the network, whereas in tension they interact less and disconnect the network. The existence of asymmetric elastic and thermal expansion behaviour has fundamental implications for computational approaches to molecular materials modelling and practical implications on the thermomechanical strains and associated elastic stresses. We develop a design space to control the degree of elastic asymmetry in molecular materials, a vital step towards understanding their integration into device technologies.

Swell Gels to Dumbbell Micelles: Construction of Materials and Nanostructure with Self-assembly

NASA Astrophysics Data System (ADS)

Pochan, Darrin

2007-03-01

Bionanotechnology, the emerging field of using biomolecular and biotechnological tools for nanostructure or nanotecnology development, provides exceptional opportunity in the design of new materials. Self-assembly of molecules is an attractive materials construction strategy due to its simplicity in application. By considering peptidic or charged synthetic polymer molecules in the bottom-up materials self-assembly design process, one can take advantage of inherently biomolecular attributes; intramolecular folding events, secondary structure, and electrostatic interactions; in addition to more traditional self-assembling molecular attributes such as amphiphilicty, to define hierarchical material structure and consequent properties. Several molecular systems will be discussed. Synthetic block copolymers with charged corona blocks can be assembled in dilute solution containing multivalent organic counterions to produce micelle structures such as toroids. These ring-like micelles are similar to the toroidal bundling of charged semiflexible biopolymers like DNA in the presence of multivalent counterions. Micelle structure can be tuned between toroids, cylinders, and disks simply by using different concentrations or molecular volumes of organic counterion. In addition, these charged blocks can consist of amino acids as monomers producing block copolypeptides. In addition to the above attributes, block copolypeptides provide the control of block secondary structure to further control self-assembly. Design strategies based on small (less than 24 amino acids) beta-hairpin peptides will be discussed. Self-assembly of the peptides is predicated on an intramolecular folding event caused by desired solution properties. Importantly, the intramolecular folding event impart a molecular-level mechanism for environmental responsiveness at the material level (e.g. infinite change in viscosity of a solution to a gel with changes in pH, ionic strength, temperature).

Plot shape effects on plant species diversity measurements

USGS Publications Warehouse

Keeley, Jon E.; Fotheringham, C.J.

2005-01-01

Abstract. Question: Do rectangular sample plots record more plant species than square plots as suggested by both empirical and theoretical studies?Location: Grasslands, shrublands and forests in the Mediterranean-climate region of California, USA.Methods: We compared three 0.1-ha sampling designs that differed in the shape and dispersion of 1-m2 and 100-m2 nested subplots. We duplicated an earlier study that compared the Whittaker sample design, which had square clustered subplots, with the modified Whittaker design, which had dispersed rectangular subplots. To sort out effects of dispersion from shape we used a third design that overlaid square subplots on the modified Whittaker design. Also, using data from published studies we extracted species richness values for 400-m2 subplots that were either square or 1:4 rectangles partially overlaid on each other from desert scrub in high and low rainfall years, chaparral, sage scrub, oak savanna and coniferous forests with and without fire.Results: We found that earlier empirical reports of more than 30% greater richness with rectangles were due to the confusion of shape effects with spatial effects, coupled with the use of cumulative number of species as the metric for comparison. Average species richness was not significantly different between square and 1:4 rectangular sample plots at either 1- or 100-m2. Pairwise comparisons showed no significant difference between square and rectangular samples in all but one vegetation type, and that one exhibited significantly greater richness with squares. Our three intensive study sites appear to exhibit some level of self-similarity at the scale of 400 m2, but, contrary to theoretical expectations, we could not detect plot shape effects on species richness at this scale.Conclusions: At the 0.1-ha scale or lower there is no evidence that plot shape has predictable effects on number of species recorded from sample plots. We hypothesize that for the mediterranean-climate vegetation types studied here, the primary reason that 1:4 rectangles do not sample greater species richness than squares is because species turnover varies along complex environmental gradients that are both parallel and perpendicular to the long axis of rectangular plots. Reports in the literature of much greater species richness recorded for highly elongated rectangular strips than for squares of the same area are not likely to be fair comparisons because of the dramatically different periphery/area ratio, which includes a much greater proportion of species that are using both above and below-ground niche space outside the sample area.

Construction of nanostructures for selective lithium ion conduction using self-assembled molecular arrays in supramolecular solids

NASA Astrophysics Data System (ADS)

Moriya, Makoto

2017-12-01

In the development of innovative molecule-based materials, the identification of the structural features in supramolecular solids and the understanding of the correlation between structure and function are important factors. The author investigated the development of supramolecular solid electrolytes by constructing ion conduction paths using a supramolecular hierarchical structure in molecular crystals because the ion conduction path is an attractive key structure due to its ability to generate solid-state ion diffusivity. The obtained molecular crystals exhibited selective lithium ion diffusion via conduction paths consisting of lithium bis(trifluoromethanesulfonyl)amide (LiTFSA) and small molecules such as ether or amine compounds. In the present review, the correlation between the crystal structure and ion conductivity of the obtained molecular crystals is addressed based on the systematic structural control of the ionic conduction paths through the modification of the component molecules. The relationship between the crystal structure and ion conductivity of the molecular crystals provides a guideline for the development of solid electrolytes based on supramolecular solids exhibiting rapid and selective lithium ion conduction.

Is the dissociation of coronene in stellar winds a source of molecular hydrogen? application to the HD 44179 nebula

NASA Astrophysics Data System (ADS)

Champeaux, J.-P.; Moretto-Capelle, P.; Cafarelli, P.; Deville, C.; Sence, M.; Casta, R.

2014-06-01

The physical interactions of polycyclic aromatic hydrocarbons (PAHs) with stellar particular radiation are key to understanding the life cycle of PAHs, their abundance and their role in the complex astrochemistry of the interstellar medium. In this context, we present experimental results on the ionization/fragmentation of isolated coronene by a 100-keV proton, reproducing interactions between stellar winds and PAH molecules in the star's environment. In particular, we show, without ambiguity, that such ionization/fragmentation induces intense dehydrogenation processes for which the loss of even numbers of hydrogen atoms and the detection of CH_2+ cations as a possible H2 precursor strongly suggest the formation of H2 neutral molecules along a scenario revealed by a quantum chemical calculation. We have evaluated the H2 emission cross-section from the coronene/proton interaction at 100 and 1.6 keV to be 2.97 × 10-16 and 3.3 × 10-16 cm2, respectively. A qualitative discussion on the formation rate of H2 in the HD 44179 Red Rectangle (RR) nebula leads to the conclusion that such processes could be very efficient, especially inside planetary nebulae rich in PAH molecules interacting with high proton mass-loss rate stars (such as post-asymptotic giant branch stars) or high velocity jets produced by an accretion disc.

Effect of glass fiber surface treatments on mechanical strength of epoxy based composite materials.

PubMed

Iglesias, J G; González-Benito, J; Aznar, A J; Bravo, J; Baselga, J

2002-06-01

Sizing glass fibers with silane coupling agents enhances the adhesion and the durability of the fiber/polymer matrix interface in composite materials. There are several tests to determine the interfacial strength between a fiber and resin, but all of them present difficulties in interpreting the results and/or sample preparation. In this study, we observed the influence of different aminosilanes fiber coatings on the resistance of epoxy-based composite materials using a very easy fractographic test. In addition, we tried a new fluorescence method to get information on a molecular level precisely at the interface. Strength was taken into account from two standpoints: (i) mechanical strength and (ii) the resistance to hydrolysis of the interface in oriented glass-reinforced epoxy-based composites. Three silanes: gamma-aminopropyltriethoxysilane, gamma-Aminopropylmethyldiethoxysilane, and gamma-Aminopropyldimethylethoxysilane were used to obtain different molecular structures at the interface. It was concluded that: (i) the more accessible amine groups are, the higher the interface rigidity is; (ii) an interpenetrating network mechanism seems to be the most important for adhesion and therefore to the interfacial strength; and (iii) the higher the degree of crosslinking in the silane coupling layer is, the higher the hydrolytic damage rate is.

Biodegradable starch-based polymeric materials

NASA Astrophysics Data System (ADS)

Suvorova, Anna I.; Tyukova, Irina S.; Trufanova, Elena I.

2000-05-01

The effects of low-molecular-weight additives, temperature and mechanical action on the structure and properties of starch are discussed. Special attention is given to mixtures of starch with synthetic polymers, e.g., co-polymers of ethylene with vinyl acetate, vinyl alcohol, acrylic acid, cellulose derivatives and other natural polymers. These mixtures can be used in the development of novel environmentally safe materials (films, coatings, packaging materials) and various articles for short-term use. The bibliography includes 105 references.

Molecular-Level Simulations of Shock Generation and Propagation in Soda-Lime Glass

DTIC Science & Technology

2012-08-01

Molecular-Level Simulations of Shock Generation and Propagation in Soda-Lime Glass M. Grujicic, W.C. Bell, B. Pandurangan, B.A. Cheeseman, C ...transparent structures with thickness approaching several inches; (b) relatively low material and manufacturing costs; and ( c ) compositional modifications... c ) models based on explicit crack representation (Ref 15, 16). Since a M. Grujicic, W.C. Bell, and B. Pandurangan, Department of Mec- hanical

Structure-sensitive film materials based on polyvinyl alcohol compositions with polyacids

NASA Astrophysics Data System (ADS)

Lazareva, Tatjana G.; Iljushenko, Irina A.

1995-05-01

The influence of polyacidic additives (silicotungstic acid -- STA, carboxymethylcellulose -- Na-CMC, polymethacrylic acid -- PMA, polyacrylic acid -- PAA) on the molecular mobility of film composition based on polyvinyl alcohol (PVA) in the temperature range 20 - 200 degree(s)C has been evaluated. It has been concluded that interpolymer complexes are formed due to hydrogen bonding of the PVA and polyacidic additive molecules, which results in the change of the PVA stereoregularity. The formation of the complexes depends on the type and concentration of the polyacidic additive, the process of (alpha) -relaxation and, in a certain concentration range of the additive, increases the molecular mobility of the kinetic segments surrounding the complex. The influence of short-term UV-irradiation on the structure and properties of such materials has been investigated. A possibility of the reversible change of molecular mobility and stereoregularity of the examined compositions as a result of short-term UV-irradiation has been established. Introduction of polyacids into the PVA structure gives rise to the electrosensitivity, i.e., the ability to change structure under the action of an electric field. In this case the distinguishing feature is the relation between the molecular mobility and electrosensitivity in the range of parameters where the (alpha) - relaxation occurs.

Designing topological defects in 2D materials using scanning probe microscopy and a self-healing mechanism: a density functional-based molecular dynamics study

NASA Astrophysics Data System (ADS)

Popov, Igor; Đurišić, Ivana; Belić, Milivoj R.

2017-12-01

Engineering of materials at the atomic level is one of the most important aims of nanotechnology. The unprecedented ability of scanning probe microscopy to address individual atoms opened up the possibilities for nanomanipulation and nanolitography of surfaces and later on of two-dimensional materials. While the state-of-the-art scanning probe lithographic methods include, primarily, adsorption, desorption and repositioning of adatoms and molecules on substrates or tailoring nanoribbons by etching of trenches, the precise modification of the intrinsic atomic structure of materials is yet to be advanced. Here we introduce a new concept, scanning probe microscopy with a rotating tip, for engineering of the atomic structure of membranes based on two-dimensional materials. In order to indicate the viability of the concept, we present our theoretical research, which includes atomistic modeling, molecular dynamics simulations, Fourier analysis and electronic transport calculations. While stretching can be employed for fabrication of atomic chains only, our comprehensive molecular dynamics simulations indicate that nanomanipulation by scanning probe microscopy with a rotating tip is capable of assembling a wide range of topological defects in two-dimensional materials in a rather controllable and reproducible manner. We analyze two possibilities. In the first case the probe tip is retracted from the membrane while in the second case the tip is released beneath the membrane allowing graphene to freely relax and self-heal the pore made by the tip. The former approach with the tip rotation can be achieved experimentally by rotation of the sample, which is equivalent to rotation of the tip, whereas irradiation of the membrane by nanoclusters can be utilized for the latter approach. The latter one has the potential to yield a yet richer diversity of topological defects on account of a lesser determinacy. If successfully realized experimentally the concept proposed here could be an important step toward controllable nanostructuring of two-dimensional materials.

Designing topological defects in 2D materials using scanning probe microscopy and a self-healing mechanism: a density functional-based molecular dynamics study.

PubMed

Popov, Igor; Đurišić, Ivana; Belić, Milivoj R

2017-12-08

Engineering of materials at the atomic level is one of the most important aims of nanotechnology. The unprecedented ability of scanning probe microscopy to address individual atoms opened up the possibilities for nanomanipulation and nanolitography of surfaces and later on of two-dimensional materials. While the state-of-the-art scanning probe lithographic methods include, primarily, adsorption, desorption and repositioning of adatoms and molecules on substrates or tailoring nanoribbons by etching of trenches, the precise modification of the intrinsic atomic structure of materials is yet to be advanced. Here we introduce a new concept, scanning probe microscopy with a rotating tip, for engineering of the atomic structure of membranes based on two-dimensional materials. In order to indicate the viability of the concept, we present our theoretical research, which includes atomistic modeling, molecular dynamics simulations, Fourier analysis and electronic transport calculations. While stretching can be employed for fabrication of atomic chains only, our comprehensive molecular dynamics simulations indicate that nanomanipulation by scanning probe microscopy with a rotating tip is capable of assembling a wide range of topological defects in two-dimensional materials in a rather controllable and reproducible manner. We analyze two possibilities. In the first case the probe tip is retracted from the membrane while in the second case the tip is released beneath the membrane allowing graphene to freely relax and self-heal the pore made by the tip. The former approach with the tip rotation can be achieved experimentally by rotation of the sample, which is equivalent to rotation of the tip, whereas irradiation of the membrane by nanoclusters can be utilized for the latter approach. The latter one has the potential to yield a yet richer diversity of topological defects on account of a lesser determinacy. If successfully realized experimentally the concept proposed here could be an important step toward controllable nanostructuring of two-dimensional materials.

The Combined Influence of Molecular Weight and Temperature on the Aging and Viscoelastic Response of a Glassy Thermoplastic Polyimide

NASA Technical Reports Server (NTRS)

Nicholson, Lee M.; Whitley, Karen S.; Gates, Thomas S.

2000-01-01

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC-SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of five materials of different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have higher creep compliance and creep rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of M (bar) (sub w) 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly. The short-term creep compliance data were used in association with Struik's effective time theory to predict the long-term creep compliance behavior for the different molecular weights. At long timescales, physical aging serves to significantly decrease the creep compliance and creep rate of all the materials tested.

Design and Evaluation of Perceptual-based Object Group Selection Techniques

NASA Astrophysics Data System (ADS)

Dehmeshki, Hoda

Selecting groups of objects is a frequent task in graphical user interfaces. It is required prior to many standard operations such as deletion, movement, or modification. Conventional selection techniques are lasso, rectangle selection, and the selection and de-selection of items through the use of modifier keys. These techniques may become time-consuming and error-prone when target objects are densely distributed or when the distances between target objects are large. Perceptual-based selection techniques can considerably improve selection tasks when targets have a perceptual structure, for example when arranged along a line. Current methods to detect such groups use ad hoc grouping algorithms that are not based on results from perception science. Moreover, these techniques do not allow selecting groups with arbitrary arrangements or permit modifying a selection. This dissertation presents two domain-independent perceptual-based systems that address these issues. Based on established group detection models from perception research, the proposed systems detect perceptual groups formed by the Gestalt principles of good continuation and proximity. The new systems provide gesture-based or click-based interaction techniques for selecting groups with curvilinear or arbitrary structures as well as clusters. Moreover, the gesture-based system is adapted for the graph domain to facilitate path selection. This dissertation includes several user studies that show the proposed systems outperform conventional selection techniques when targets form salient perceptual groups and are still competitive when targets are semi-structured.

Evaluation of Isolated Fractions of Aloe vera Gel Materials on Indinavir Pharmacokinetics: In vitro and in vivo Studies.

PubMed

Wallis, Lonette; Malan, Maides; Gouws, Chrisna; Steyn, Dewald; Ellis, Suria; Abay, Efrem; Wiesner, Lubbe; Otto, Daniel P; Hamman, Josias

2016-01-01

Aloe vera is a plant with a long history of traditional medicinal use and is consumed in different products, sometimes in conjunction with prescribed medicines. A. vera gel has shown the ability to modulate drug absorption in vitro. The aim of this study was to fractionate the precipitated polysaccharide component of A. vera gel based on molecular weight and to compare their interactions with indinavir pharmacokinetics. Crude polysaccharides were precipitated from a solution of A. vera gel and was fractionated by means of centrifugal filtration through membranes with different molecular weight cut-off values (i.e. 300 KDa, 100 KDa and 30 KDa). Marker molecules were quantified in the aloe leaf materials by means of nuclear magnetic resonance spectroscopy and the average molecular weight was determined by means of gel filtration chromatography linked to multi-angle-laser-light scattering and refractive index detection. The effect of the aloe leaf materials on the transepithelial electrical resistance (TEER) of Caco-2 cell monolayers as well as indinavir metabolism in LS180 cells was measured. The bioavailability of indinavir in the presence and absence of the aloe leaf materials was determined in Sprague-Dawley rats. All the aloe leaf materials investigated in this study reduced the TEER of Caco-2 cell monolayers, inhibited indinavir metabolism in LS 180 cells to different extents and changed the bioavailability parameters of indinavir in rats compared to that of indinavir alone. These indinavir pharmacokinetic modulation effects were not dependent on the presence of aloverose and also not on the average molecular weight of the isolated fractions.

Predictive Multiscale Modeling of Nanocellulose Based Materials and Systems

NASA Astrophysics Data System (ADS)

Kovalenko, Andriy

2014-08-01

Cellulose Nanocrysals (CNC) is a renewable biodegradable biopolymer with outstanding mechanical properties made from highly abundant natural source, and therefore is very attractive as reinforcing additive to replace petroleum-based plastics in biocomposite materials, foams, and gels. Large-scale applications of CNC are currently limited due to its low solubility in non-polar organic solvents used in existing polymerization technologies. The solvation properties of CNC can be improved by chemical modification of its surface. Development of effective surface modifications has been rather slow because extensive chemical modifications destabilize the hydrogen bonding network of cellulose and deteriorate the mechanical properties of CNC. We employ predictive multiscale theory, modeling, and simulation to gain a fundamental insight into the effect of CNC surface modifications on hydrogen bonding, CNC crystallinity, solvation thermodynamics, and CNC compatibilization with the existing polymerization technologies, so as to rationally design green nanomaterials with improved solubility in non-polar solvents, controlled liquid crystal ordering and optimized extrusion properties. An essential part of this multiscale modeling approach is the statistical- mechanical 3D-RISM-KH molecular theory of solvation, coupled with quantum mechanics, molecular mechanics, and multistep molecular dynamics simulation. The 3D-RISM-KH theory provides predictive modeling of both polar and non-polar solvents, solvent mixtures, and electrolyte solutions in a wide range of concentrations and thermodynamic states. It properly accounts for effective interactions in solution such as steric effects, hydrophobicity and hydrophilicity, hydrogen bonding, salt bridges, buffer, co-solvent, and successfully predicts solvation effects and processes in bulk liquids, solvation layers at solid surface, and in pockets and other inner spaces of macromolecules and supramolecular assemblies. This methodology enables rational design of CNC-based bionanocomposite materials and systems. Furthermore, the 3D-RISM-KH based multiscale modeling addresses the effect of hemicellulose and lignin composition on nanoscale forces that control cell wall strength towards overcoming plant biomass recalcitrance. It reveals molecular forces maintaining the cell wall structure and provides directions for genetic modulation of plants and pretreatment design to render biomass more amenable to processing. We envision integrated biomass valorization based on extracting and decomposing the non-cellulosic components to low molecular weight chemicals and utilizing the cellulose microfibrils to make CNC. This is an important alternative to approaches of full conversion of lignocellulose to biofuels that face challenges arising from the deleterious impact of cellulose crystallinity on enzymatic processing.

New Satellite Damage Maps Assist Italy Earthquake Disaster Response

NASA Image and Video Library

2016-09-01

Italy earthquake. The quake has caused significant damage in the historic town of Amatrice. To assist in the disaster response efforts, scientists at NASA's Jet Propulsion Laboratory, Pasadena, California, and the California Institute of Technology in Pasadena, in collaboration with the Italian Space Agency (ASI), generated this image of the earthquake's hardest-hit region. The 40-by-75 mile (65-by-120 kilometer) Damage Proxy Map (DPM) was derived from two consecutive frames of the Japan Aerospace Exploration Agency's (JAXA's) L-band interferometric synthetic aperture radar (InSAR) data from the ALOS-2 satellite (cyan rectangles), and the 25-by-31 mile (40-by-50 kilometer) DPM was derived from InSAR data from the Agenzia Spaciale Italiana's (ASI's) X-band COSMO-SkyMed satellite (red rectangle). Both DPMs cover the historic town of Amatrice, revealing severe damage in the western side of the town (right panels). The time span of the data for the change is Jan. 27, 2016 to Aug. 24, 2016 for ALOS-2 and Aug. 20, 2016 to Aug. 28, 2016 for COSMO-SkyMed. Each pixel in the damage proxy map is about 100 feet (30 meters) across. The SAR data were processed by the Advanced Rapid Imaging and Analysis (ARIA) team at JPL and Caltech. The technique uses a prototype algorithm to rapidly detect surface changes caused by natural or human-produced damage. The assessment technique is most sensitive to destruction of the built environment. When the radar images areas with little to no destruction, its image pixels are transparent. Increased opacity of the radar image pixels reflects damage, with areas in red reflecting the heaviest damage to cities and towns. The color variations from yellow to red indicate increasingly more significant ground surface change. Preliminary validation was done by comparing the DPMs to a damage assessment map produced by the Copernicus Emergency Management Service, which is based on visual inspection of before and after high-resolution aerial imagery -- the extent indicated with gray boxes in the left panel. http://photojournal.jpl.nasa.gov/catalog/PIA20897

Carbon material for hydrogen storage

DOEpatents

Bourlinos, Athanasios; Steriotis, Theodore; Stubos, Athanasios; Miller, Michael A

2016-09-13

The present invention relates to carbon based materials that are employed for hydrogen storage applications. The material may be described as the pyrolysis product of a molecular precursor such as a cyclic quinone compound. The pyrolysis product may then be combined with selected transition metal atoms which may be in nanoparticulate form, where the metals may be dispersed on the material surface. Such product may then provide for the reversible storage of hydrogen. The metallic nanoparticles may also be combined with a second metal as an alloy to further improve hydrogen storage performance.

Facility for low-temperature spin-polarized-scanning tunneling microscopy studies of magnetic/spintronic materials prepared in situ by nitride molecular beam epitaxy.

PubMed

Lin, Wenzhi; Foley, Andrew; Alam, Khan; Wang, Kangkang; Liu, Yinghao; Chen, Tianjiao; Pak, Jeongihm; Smith, Arthur R

2014-04-01

Based on the interest in, as well as exciting outlook for, nitride semiconductor based structures with regard to electronic, optoelectronic, and spintronic applications, it is compelling to investigate these systems using the powerful technique of spin-polarized scanning tunneling microscopy (STM), a technique capable of achieving magnetic resolution down to the atomic scale. However, the delicate surfaces of these materials are easily corrupted by in-air transfers, making it unfeasible to study them in stand-alone ultra-high vacuum STM facilities. Therefore, we have carried out the development of a hybrid system including a nitrogen plasma assisted molecular beam epitaxy/pulsed laser epitaxy facility for sample growth combined with a low-temperature, spin-polarized scanning tunneling microscope system. The custom-designed molecular beam epitaxy growth system supports up to eight sources, including up to seven effusion cells plus a radio frequency nitrogen plasma source, for epitaxially growing a variety of materials, such as nitride semiconductors, magnetic materials, and their hetero-structures, and also incorporating in situ reflection high energy electron diffraction. The growth system also enables integration of pulsed laser epitaxy. The STM unit has a modular design, consisting of an upper body and a lower body. The upper body contains the coarse approach mechanism and the scanner unit, while the lower body accepts molecular beam epitaxy grown samples using compression springs and sample skis. The design of the system employs two stages of vibration isolation as well as a layer of acoustic noise isolation in order to reduce noise during STM measurements. This isolation allows the system to effectively acquire STM data in a typical lab space, which during its construction had no special and highly costly elements included, (such as isolated slabs) which would lower the environmental noise. The design further enables tip exchange and tip coating without breaking vacuum, and convenient visual access to the sample and tip inside a superconducting magnet cryostat. A sample/tip handling system is optimized for both the molecular beam epitaxy growth system and the scanning tunneling microscope system. The sample/tip handing system enables in situ STM studies on epitaxially grown samples, and tip exchange in the superconducting magnet cryostat. The hybrid molecular beam epitaxy and low temperature scanning tunneling microscopy system is capable of growing semiconductor-based hetero-structures with controlled accuracy down to a single atomic-layer and imaging them down to atomic resolution.