Dynamical ion transfer between coupled Coulomb crystals in a double-well potential.

PubMed

Klumpp, Andrea; Zampetaki, Alexandra; Schmelcher, Peter

2017-09-01

We investigate the nonequilibrium dynamics of coupled Coulomb crystals of different sizes trapped in a double well potential. The dynamics is induced by an instantaneous quench of the potential barrier separating the two crystals. Due to the intra- and intercrystal Coulomb interactions and the asymmetric population of the potential wells, we observe a complex reordering of ions within the two crystals as well as ion transfer processes from one well to the other. The study and analysis of the latter processes constitutes the main focus of this work. In particular, we examine the dependence of the observed ion transfers on the quench amplitude performing an analysis for different crystalline configurations ranging from one-dimensional ion chains via two-dimensional zigzag chains and ring structures to three-dimensional spherical structures. Such an analysis provides us with the means to extract the general principles governing the ion transfer dynamics and we gain some insight on the structural disorder caused by the quench of the barrier height.

Computer simulation of ion beam analysis of laterally inhomogeneous materials

NASA Astrophysics Data System (ADS)

Mayer, M.

2016-03-01

The program STRUCTNRA for the simulation of ion beam analysis charged particle spectra from arbitrary two-dimensional distributions of materials is described. The code is validated by comparison to experimental backscattering data from a silicon grating on tantalum at different orientations and incident angles. Simulated spectra for several types of rough thin layers and a chessboard-like arrangement of materials as example for a multi-phase agglomerate material are presented. Ambiguities between back-scattering spectra from two-dimensional and one-dimensional sample structures are discussed.

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

PubMed

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

2017-09-25

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

Gate-controlled-diodes in silicon-on-sapphire: A computer simulation

NASA Technical Reports Server (NTRS)

Gassaway, J. D.

1974-01-01

The computer simulation of the electrical behavior of a Gate-Controlled Diode (GCD) fabricated in Silicon-On-Sapphire (SOS) was described. A procedure for determining lifetime profiles from capacitance and reverse current measurements on the GCD was established. Chapter 1 discusses the SOS structure and points out the need of lifetime profiles to assist in device design for GCD's and bipolar transistors. Chapter 2 presents the one-dimensional analytical formula for electrostatic analysis of the SOS-GCD which are useful for data interpretation and setting boundary conditions on a simplified two-dimensional analysis. Chapter 3 gives the results of a two-dimensional analysis which treats the field as one-dimensional until the silicon film is depleted and the field penetrates the sapphire substrate. Chapter 4 describes a more complete two-dimensional model and gives results of programs implementing the model.

Dual wing, swept forward swept rearward wing, and single wing design optimization for high performance business airplanes

NASA Technical Reports Server (NTRS)

Rhodes, M. D.; Selberg, B. P.

1982-01-01

An investigation was performed to compare closely coupled dual wing and swept forward swept rearward wing aircraft to corresponding single wing 'baseline' designs to judge the advantages offered by aircraft designed with multiple wing systems. The optimum multiple wing geometry used on the multiple wing designs was determined in an analytic study which investigated the two- and three-dimensional aerodynamic behavior of a wide range of multiple wing configurations in order to find the wing geometry that created the minimum cruise drag. This analysis used a multi-element inviscid vortex panel program coupled to a momentum integral boundary layer analysis program to account for the aerodynamic coupling between the wings and to provide the two-dimensional aerodynamic data, which was then used as input for a three-dimensional vortex lattice program, which calculated the three-dimensional aerodynamic data. The low drag of the multiple wing configurations is due to a combination of two dimensional drag reductions, tailoring the three dimensional drag for the swept forward swept rearward design, and the structural advantages of the two wings that because of the structural connections permitted higher aspect ratios.

Global/local methods research using the CSM testbed

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Ransom, Jonathan B.; Griffin, O. Hayden, Jr.; Thompson, Danniella M.

1990-01-01

Research activities in global/local stress analysis are described including both two- and three-dimensional analysis methods. These methods are being developed within a common structural analysis framework. Representative structural analysis problems are presented to demonstrate the global/local methodologies being developed.

Structural Analysis of Composite Flywheels: an Integrated NDE and FEM Approach

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Baaklini, George; Trudell, Jeffrey

2001-01-01

A structural assessment by integrating finite-element methods (FEM) and a nondestructive evaluation (NDE) of two flywheel rotor assemblies is presented. Composite rotor A is pancake-like with a solid hub design, and composite rotor B is cylindrical with a hollow hub design. Detailed analyses under combined centrifugal and interference-fit loading are performed. Two- and three-dimensional stress analyses and two-dimensional fracture mechanics analyses are conducted. A comparison of the structural analysis results obtained with those extracted via NDE findings is reported. Contact effects due to press-fit conditions are evaluated. Stress results generated from the finite-element analyses were corroborated with the analytical solution. Cracks due to rotational loading up to 48,000 rpm for rotor A and 34,000 rpm for rotor B were successfully imaged with NDE and predicted with FEM and fracture mechanics analyses. A procedure that extends current structural analysis to a life prediction tool is also defined.

Replace-approximation method for ambiguous solutions in factor analysis of ultrasonic hepatic perfusion

NASA Astrophysics Data System (ADS)

Zhang, Ji; Ding, Mingyue; Yuchi, Ming; Hou, Wenguang; Ye, Huashan; Qiu, Wu

2010-03-01

Factor analysis is an efficient technique to the analysis of dynamic structures in medical image sequences and recently has been used in contrast-enhanced ultrasound (CEUS) of hepatic perfusion. Time-intensity curves (TICs) extracted by factor analysis can provide much more diagnostic information for radiologists and improve the diagnostic rate of focal liver lesions (FLLs). However, one of the major drawbacks of factor analysis of dynamic structures (FADS) is nonuniqueness of the result when only the non-negativity criterion is used. In this paper, we propose a new method of replace-approximation based on apex-seeking for ambiguous FADS solutions. Due to a partial overlap of different structures, factor curves are assumed to be approximately replaced by the curves existing in medical image sequences. Therefore, how to find optimal curves is the key point of the technique. No matter how many structures are assumed, our method always starts to seek apexes from one-dimensional space where the original high-dimensional data is mapped. By finding two stable apexes from one dimensional space, the method can ascertain the third one. The process can be continued until all structures are found. This technique were tested on two phantoms of blood perfusion and compared to the two variants of apex-seeking method. The results showed that the technique outperformed two variants in comparison of region of interest measurements from phantom data. It can be applied to the estimation of TICs derived from CEUS images and separation of different physiological regions in hepatic perfusion.

Analysis in temporal regime of dispersive invisible structures designed from transformation optics

NASA Astrophysics Data System (ADS)

Gralak, B.; Arismendi, G.; Avril, B.; Diatta, A.; Guenneau, S.

2016-03-01

A simple invisible structure made of two anisotropic homogeneous layers is analyzed theoretically in temporal regime. The frequency dispersion is introduced and analytic expression of the transient part of the field is derived for large times when the structure is illuminated by a causal excitation. This expression shows that the limiting amplitude principle applies with transient fields decaying as the power -3 /4 of the time. The quality of the cloak is then reduced at short times and remains preserved at large times. The one-dimensional theoretical analysis is supplemented with full-wave numerical simulations in two-dimensional situations which confirm the effect of dispersion.

Conformational analysis of an acyclic tetrapeptide: ab-initio structure determination from X-ray powder diffraction, Hirshfeld surface analysis and electronic structure.

PubMed

Das, Uday; Naskar, Jishu; Mukherjee, Alok Kumar

2015-12-01

A terminally protected acyclic tetrapeptide has been synthesized, and the crystal structure of its hydrated form, Boc-Tyr-Aib-Tyr-Ile-OMe·2H2O (1), has been determined directly from powder X-ray diffraction data. The backbone conformation of tetrapeptide (1) exhibiting two consecutive β-turns is stabilized by two 4 → 1 intramolecular N-H · · · O hydrogen bonds. In the crystalline state, the tetrapeptide molecules are assembled through water-mediated O-H · · · O hydrogen bonds to form two-dimensional molecular sheets, which are further linked by intermolecular C-H · · · O hydrogen bonds into a three-dimensional supramolecular framework. The molecular electrostatic potential (MEP) surface of (1) has been used to supplement the crystallographic observations. The nature of intermolecular interactions in (1) has been analyzed quantitatively through the Hirshfeld surface and two-dimensional fingerprint plot. The DFT optimized molecular geometry of (1) agrees closely with that obtained from the X-ray structure analysis. The present structure analysis of Boc-Tyr-Aib-Tyr-Ile-OMe·2H2 O (1) represents a case where ab-initio crystal structure of an acyclic tetrapeptide with considerable molecular flexibility has been accomplished from laboratory X-ray powder diffraction data. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

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

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

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

2016-03-28

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

Integrated Aeromechanics with Three-Dimensional Solid-Multibody Structures

NASA Technical Reports Server (NTRS)

Datta, Anubhav; Johnson, Wayne

2014-01-01

A full three-dimensional finite element-multibody structural dynamic solver is coupled to a three-dimensional Reynolds-averaged Navier-Stokes solver for the prediction of integrated aeromechanical stresses and strains on a rotor blade in forward flight. The objective is to lay the foundations of all major pieces of an integrated three-dimensional rotor dynamic analysis - from model construction to aeromechanical solution to stress/strain calculation. The primary focus is on the aeromechanical solution. Two types of three-dimensional CFD/CSD interfaces are constructed for this purpose with an emphasis on resolving errors from geometry mis-match so that initial-stage approximate structural geometries can also be effectively analyzed. A three-dimensional structural model is constructed as an approximation to a UH-60A-like fully articulated rotor. The aerodynamic model is identical to the UH-60A rotor. For preliminary validation measurements from a UH-60A high speed flight is used where CFD coupling is essential to capture the advancing side tip transonic effects. The key conclusion is that an integrated aeromechanical analysis is indeed possible with three-dimensional structural dynamics but requires a careful description of its geometry and discretization of its parts.

Validating two-dimensional leadership models on three-dimensionally structured fish schools

PubMed Central

Nagy, Máté; Holbrook, Robert I.; Biro, Dora; Burt de Perera, Theresa

2017-01-01

Identifying leader–follower interactions is crucial for understanding how a group decides where or when to move, and how this information is transferred between members. Although many animal groups have a three-dimensional structure, previous studies investigating leader–follower interactions have often ignored vertical information. This raises the question of whether commonly used two-dimensional leader–follower analyses can be used justifiably on groups that interact in three dimensions. To address this, we quantified the individual movements of banded tetra fish (Astyanax mexicanus) within shoals by computing the three-dimensional trajectories of all individuals using a stereo-camera technique. We used these data firstly to identify and compare leader–follower interactions in two and three dimensions, and secondly to analyse leadership with respect to an individual's spatial position in three dimensions. We show that for 95% of all pairwise interactions leadership identified through two-dimensional analysis matches that identified through three-dimensional analysis, and we reveal that fish attend to the same shoalmates for vertical information as they do for horizontal information. Our results therefore highlight that three-dimensional analyses are not always required to identify leader–follower relationships in species that move freely in three dimensions. We discuss our results in terms of the importance of taking species' sensory capacities into account when studying interaction networks within groups. PMID:28280582

Three-dimensional cardiac architecture determined by two-photon microtomy

NASA Astrophysics Data System (ADS)

Huang, Hayden; MacGillivray, Catherine; Kwon, Hyuk-Sang; Lammerding, Jan; Robbins, Jeffrey; Lee, Richard T.; So, Peter

2009-07-01

Cardiac architecture is inherently three-dimensional, yet most characterizations rely on two-dimensional histological slices or dissociated cells, which remove the native geometry of the heart. We previously developed a method for labeling intact heart sections without dissociation and imaging large volumes while preserving their three-dimensional structure. We further refine this method to permit quantitative analysis of imaged sections. After data acquisition, these sections are assembled using image-processing tools, and qualitative and quantitative information is extracted. By examining the reconstructed cardiac blocks, one can observe end-to-end adjacent cardiac myocytes (cardiac strands) changing cross-sectional geometries, merging and separating from other strands. Quantitatively, representative cross-sectional areas typically used for determining hypertrophy omit the three-dimensional component; we show that taking orientation into account can significantly alter the analysis. Using fast-Fourier transform analysis, we analyze the gross organization of cardiac strands in three dimensions. By characterizing cardiac structure in three dimensions, we are able to determine that the α crystallin mutation leads to hypertrophy with cross-sectional area increases, but not necessarily via changes in fiber orientation distribution.

ASTROP2-LE: A Mistuned Aeroelastic Analysis System Based on a Two Dimensional Linearized Euler Solver

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Srivastava, R.; Mehmed, Oral

2002-01-01

An aeroelastic analysis system for flutter and forced response analysis of turbomachines based on a two-dimensional linearized unsteady Euler solver has been developed. The ASTROP2 code, an aeroelastic stability analysis program for turbomachinery, was used as a basis for this development. The ASTROP2 code uses strip theory to couple a two dimensional aerodynamic model with a three dimensional structural model. The code was modified to include forced response capability. The formulation was also modified to include aeroelastic analysis with mistuning. A linearized unsteady Euler solver, LINFLX2D is added to model the unsteady aerodynamics in ASTROP2. By calculating the unsteady aerodynamic loads using LINFLX2D, it is possible to include the effects of transonic flow on flutter and forced response in the analysis. The stability is inferred from an eigenvalue analysis. The revised code, ASTROP2-LE for ASTROP2 code using Linearized Euler aerodynamics, is validated by comparing the predictions with those obtained using linear unsteady aerodynamic solutions.

GFZ Wireless Seismic Array (GFZ-WISE), a Wireless Mesh Network of Seismic Sensors: New Perspectives for Seismic Noise Array Investigations and Site Monitoring

PubMed Central

Picozzi, Matteo; Milkereit, Claus; Parolai, Stefano; Jaeckel, Karl-Heinz; Veit, Ingo; Fischer, Joachim; Zschau, Jochen

2010-01-01

Over the last few years, the analysis of seismic noise recorded by two dimensional arrays has been confirmed to be capable of deriving the subsoil shear-wave velocity structure down to several hundred meters depth. In fact, using just a few minutes of seismic noise recordings and combining this with the well known horizontal-to-vertical method, it has also been shown that it is possible to investigate the average one dimensional velocity structure below an array of stations in urban areas with a sufficient resolution to depths that would be prohibitive with active source array surveys, while in addition reducing the number of boreholes required to be drilled for site-effect analysis. However, the high cost of standard seismological instrumentation limits the number of sensors generally available for two-dimensional array measurements (i.e., of the order of 10), limiting the resolution in the estimated shear-wave velocity profiles. Therefore, new themes in site-effect estimation research by two-dimensional arrays involve the development and application of low-cost instrumentation, which potentially allows the performance of dense-array measurements, and the development of dedicated signal-analysis procedures for rapid and robust estimation of shear-wave velocity profiles. In this work, we present novel low-cost wireless instrumentation for dense two-dimensional ambient seismic noise array measurements that allows the real–time analysis of the surface-wavefield and the rapid estimation of the local shear-wave velocity structure for site response studies. We first introduce the general philosophy of the new system, as well as the hardware and software that forms the novel instrument, which we have tested in laboratory and field studies. PMID:22319298

Observation of Quasi-Two-Dimensional Nonlinear Interactions in a Drift-Wave Streamer

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

Yamada, T.; Nagashima, Y.; Itoh, S.-I.

2010-11-26

A streamer, which is a bunching of drift-wave fluctuations, and its mediator, which generates the streamer by coupling with other fluctuations, have been observed in a cylindrical magnetized plasma. Their radial structures were investigated in detail by using the biphase analysis. Their quasi-two-dimensional structures were revealed to be equivalent with a pair of fast and slow modes predicted by a nonlinear Schroedinger equation based on the Hasegawa-Mima model.

XMM Observations of Low Mass Groups

NASA Technical Reports Server (NTRS)

Davis, David S.

2005-01-01

The contents of this report contains discussion of the two-dimensional XMM-Newton group survey. The analysis of the NGC 2300 and Pavo observations indicated by the azimuthally averaged analysis that the temperature structure is minimal to the NGC2300 system; however, the Pavo system shows signs of a merger in progress. XMM data is used to generate two dimensional maps of the temperature and abundance used to generate maps of pressure and entropy.

Variational asymptotic modeling of composite dimensionally reducible structures

NASA Astrophysics Data System (ADS)

Yu, Wenbin

A general framework to construct accurate reduced models for composite dimensionally reducible structures (beams, plates and shells) was formulated based on two theoretical foundations: decomposition of the rotation tensor and the variational asymptotic method. Two engineering software systems, Variational Asymptotic Beam Sectional Analysis (VABS, new version) and Variational Asymptotic Plate and Shell Analysis (VAPAS), were developed. Several restrictions found in previous work on beam modeling were removed in the present effort. A general formulation of Timoshenko-like cross-sectional analysis was developed, through which the shear center coordinates and a consistent Vlasov model can be obtained. Recovery relations are given to recover the asymptotic approximations for the three-dimensional field variables. A new version of VABS has been developed, which is a much improved program in comparison to the old one. Numerous examples are given for validation. A Reissner-like model being as asymptotically correct as possible was obtained for composite plates and shells. After formulating the three-dimensional elasticity problem in intrinsic form, the variational asymptotic method was used to systematically reduce the dimensionality of the problem by taking advantage of the smallness of the thickness. The through-the-thickness analysis is solved by a one-dimensional finite element method to provide the stiffnesses as input for the two-dimensional nonlinear plate or shell analysis as well as recovery relations to approximately express the three-dimensional results. The known fact that there exists more than one theory that is asymptotically correct to a given order is adopted to cast the refined energy into a Reissner-like form. A two-dimensional nonlinear shell theory consistent with the present modeling process was developed. The engineering computer code VAPAS was developed and inserted into DYMORE to provide an efficient and accurate analysis of composite plates and shells. Numerical results are compared with the exact solutions, and the excellent agreement proves that one can use VAPAS to analyze composite plates and shells efficiently and accurately. In conclusion, rigorous modeling approaches were developed for composite beams, plates and shells within a general framework. No such consistent and general treatment is found in the literature. The associated computer programs VABS and VAPAS are envisioned to have many applications in industry.

Psychometrican analysis and dimensional structure of the Brazilian version of melasma quality of life scale (MELASQoL-BP)*

PubMed Central

Maranzatto, Camila Fernandes Pollo; Miot, Hélio Amante; Miot, Luciane Donida Bartoli; Meneguin, Silmara

2016-01-01

Background Although asymptomatic, melasma inflicts significant impact on quality of life. MELASQoL is the main instrument used to assess quality of life associated with melasma, it has been validated in several languages, but its latent dimensional structure and psychometric properties haven´t been fully explored. Objectives To evaluate psychometric characteristics, information and dimensional structure of the Brazilian version of MELASQoL. Methods Survey with patients with facial melasma through socio-demographic questionnaire, DLQI-BRA, MASI and MELASQoL-BP, exploratory and confirmatory factor analysis, internal consistency of MELASQoL and latent dimensions (Cronbach's alpha). The informativeness of the model and items were investigated by the Rasch model (ordinal data). Results We evaluated 154 patients, 134 (87%) were female, mean age (± SD) of 39 (± 8) years, the onset of melasma at 27 (± 8) years, median (p25-p75) of MASI scores , DLQI and MELASQoL 8 (5-15) 2 (1-6) and 30 (17-44). The correlation (rho) of MELASQoL with DLQI and MASI were: 0.70 and 0.36. Exploratory factor analysis identified two latent dimensions: Q1-Q3 and Q4-Q10, which had significantly more adjusted factor structure than the one-dimensional model: Χ2 / gl = 2.03, CFI = 0.95, AGFI = 0.94, RMSEA = 0.08. Cronbach's coefficient for the one-dimensional model and the factors were: 0.95, 0.92 and 0.93. Rasch analysis demonstrated that the use of seven alternatives per item resulted in no increase in the model informativeness. Conclusions MELASQoL-BP showed good psychometric performance and a latent structure of two dimensions. We also identified an oversizing of item alternatives to characterize the aggregate information to each dimension. PMID:27579735

MHOST version 4.2. Volume 1: Users' manual

NASA Technical Reports Server (NTRS)

Nakazawa, Shohei

1989-01-01

This manual describes the user options available for running the MHOST finite element analysis package. MHOST is a solid and structural analysis program based on mixed finite element technology, and is specifically designed for three-dimensional inelastic analysis. A family of two- and three-dimensional continuum elements along with beam and shell structural elements can be utilized. Many options are available in the constitutive equation library, the solution algorithms and the analysis capabilities. An overview of the algorithms, a general description of the input data formats, and a discussion of input data for selecting solution algorithms are given.

User's manual for GAMNAS: Geometric and Material Nonlinear Analysis of Structures

NASA Technical Reports Server (NTRS)

Whitcomb, J. D.; Dattaguru, B.

1984-01-01

GAMNAS (Geometric and Material Nonlinear Analysis of Structures) is a two dimensional finite-element stress analysis program. Options include linear, geometric nonlinear, material nonlinear, and combined geometric and material nonlinear analysis. The theory, organization, and use of GAMNAS are described. Required input data and results for several sample problems are included.

Buckling Analysis of Single and Multi Delamination In Composite Beam Using Finite Element Method

NASA Astrophysics Data System (ADS)

Simanjorang, Hans Charles; Syamsudin, Hendri; Giri Suada, Muhammad

2018-04-01

Delamination is one type of imperfection in structure which found usually in the composite structure. Delamination may exist due to some factors namely in-service condition where the foreign objects hit the composite structure and creates inner defect and poor manufacturing that causes the initial imperfections. Composite structure is susceptible to the compressive loading. Compressive loading leads the instability phenomenon in the composite structure called buckling. The existence of delamination inside of the structure will cause reduction in buckling strength. This paper will explain the effect of delamination location to the buckling strength. The analysis will use the one-dimensional modelling approach using two- dimensional finite element method.

Percolation analysis of nonlinear structures in scale-free two-dimensional simulations

NASA Technical Reports Server (NTRS)

Dominik, Kurt G.; Shandarin, Sergei F.

1992-01-01

Results are presented of applying percolation analysis to several two-dimensional N-body models which simulate the formation of large-scale structure. Three parameters are estimated: total area (a(c)), total mass (M(C)), and percolation density (rho(c)) of the percolating structure at the percolation threshold for both unsmoothed and smoothed (with different scales L(s)) nonlinear with filamentary structures, confirming early speculations that this type of model has several features of filamentary-type distributions. Also, it is shown that, by properly applying smoothing techniques, many problems previously considered detrimental can be dealt with and overcome. Possible difficulties and prospects with the use of this method are discussed, specifically relating to techniques and methods already applied to CfA deep sky surveys. The success of this test in two dimensions and the potential for extrapolation to three dimensions is also discussed.

Capturing the crystalline phase of two-dimensional nanocrystal superlattices in action.

PubMed

Jiang, Zhang; Lin, Xiao-Min; Sprung, Michael; Narayanan, Suresh; Wang, Jin

2010-03-10

Critical photonic, electronic, and magnetic applications of two-dimensional nanocrystal superlattices often require nanostructures in perfect single-crystal phases with long-range order and limited defects. Here we discovered a crystalline phase with quasi-long-range positional order for two-dimensional nanocrystal superlattice domains self-assembled at the liquid-air interface during droplet evaporation, using in situ time-resolved X-ray scattering along with rigorous theories on two dimensional crystal structures. Surprisingly, it was observed that drying these superlattice domains preserved only an orientational order but not a long-range positional order, also supported by quantitative analysis of transmission electron microscopy images.

Approximate Analysis for Interlaminar Stresses in Composite Structures with Thickness Discontinuities

NASA Technical Reports Server (NTRS)

Rose, Cheryl A.; Starnes, James H., Jr.

1996-01-01

An efficient, approximate analysis for calculating complete three-dimensional stress fields near regions of geometric discontinuities in laminated composite structures is presented. An approximate three-dimensional local analysis is used to determine the detailed local response due to far-field stresses obtained from a global two-dimensional analysis. The stress results from the global analysis are used as traction boundary conditions for the local analysis. A generalized plane deformation assumption is made in the local analysis to reduce the solution domain to two dimensions. This assumption allows out-of-plane deformation to occur. The local analysis is based on the principle of minimum complementary energy and uses statically admissible stress functions that have an assumed through-the-thickness distribution. Examples are presented to illustrate the accuracy and computational efficiency of the local analysis. Comparisons of the results of the present local analysis with the corresponding results obtained from a finite element analysis and from an elasticity solution are presented. These results indicate that the present local analysis predicts the stress field accurately. Computer execution-times are also presented. The demonstrated accuracy and computational efficiency of the analysis make it well suited for parametric and design studies.

Dipeptide Structural Analysis Using Two-Dimensional NMR for the Undergraduate Advanced Laboratory

ERIC Educational Resources Information Center

Gonzalez, Elizabeth; Dolino, Drew; Schwartzenburg, Danielle; Steiger, Michelle A.

2015-01-01

A laboratory experiment was developed to introduce students in either an organic chemistry or biochemistry lab course to two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy using simple biomolecules. The goal of this experiment is for students to understand and interpret the information provided by a 2D NMR spectrum. Students are…

Application of ground-penetrating radar imagery for three-dimensional visualisation of near-surface structures in ice-rich permafrost, Barrow, Alaska

USGS Publications Warehouse

Munroe, Jeffrey S.; Doolittle, James A.; Kanevskiy, Mikhail; Hinkel, Kenneth M.; Nelson, Frederick E.; Jones, Benjamin M.; Shur, Yuri; Kimble, John M.

2007-01-01

Three-dimensional ground-penetrating radar (3D GPR) was used to investigate the subsurface structure of ice-wedge polygons and other features of the frozen active layer and near-surface permafrost near Barrow, Alaska. Surveys were conducted at three sites located on landscapes of different geomorphic age. At each site, sediment cores were collected and characterised to aid interpretation of GPR data. At two sites, 3D GPR was able to delineate subsurface ice-wedge networks with high fidelity. Three-dimensional GPR data also revealed a fundamental difference in ice-wedge morphology between these two sites that is consistent with differences in landscape age. At a third site, the combination of two-dimensional and 3D GPR revealed the location of an active frost boil with ataxitic cryostructure. When supplemented by analysis of soil cores, 3D GPR offers considerable potential for imaging, interpreting and 3D mapping of near-surface soil and ice structures in permafrost environments.

The geometry of structural equilibrium

PubMed Central

2017-01-01

Building on a long tradition from Maxwell, Rankine, Klein and others, this paper puts forward a geometrical description of structural equilibrium which contains a procedure for the graphic analysis of stress resultants within general three-dimensional frames. The method is a natural generalization of Rankine’s reciprocal diagrams for three-dimensional trusses. The vertices and edges of dual abstract 4-polytopes are embedded within dual four-dimensional vector spaces, wherein the oriented area of generalized polygons give all six components (axial and shear forces with torsion and bending moments) of the stress resultants. The relevant quantities may be readily calculated using four-dimensional Clifford algebra. As well as giving access to frame analysis and design, the description resolves a number of long-standing problems with the incompleteness of Rankine’s description of three-dimensional trusses. Examples are given of how the procedure may be applied to structures of engineering interest, including an outline of a two-stage procedure for addressing the equilibrium of loaded gridshell rooves. PMID:28405361

Black dimensional stones: Geology, technical properties and deposit characterization of the dolerites from Uruguay

NASA Astrophysics Data System (ADS)

Morales Demarco, M.; Oyhantçabal, P.; Stein, K.-J.; Siegesmund, S.

2012-04-01

Dimensional stones with a black color occupy a prominent place on the international market. Uruguayan dolerite dikes of andesitic and andesitic-basaltic composition are mined for commercial blocks of black dimensional stones. A total of 16 dikes of both compositions were studied and samples collected for geochemical and petrographical analysis. Color measurements were performed on different black dimensional stones in order to compare them with the Uruguayan dolerites. Samples of the two commercial varieties (Absolute Black and Moderate Black) were obtained for petrophysical analysis (e.g. density, porosity, uniaxial compressive strength, tensile strength, etc.). Detailed structural analyses were performed in several quarries. Geochemistry and petrography determines the intensity of the black color. When compared with commercial samples from China, Brazil, India and South Africa, among others, the Uruguayan dolerite Absolute Black is the darkest black dimensional stone analyzed. In addition, the petrophysical properties of the Uruguayan dolerites make them one of the highest quality black dimensional stones. Structural analyses show that five joint sets have been recognized: two sub-vertical joints, one horizontal and two diagonal. These joint sets are one of the most important factors that control the deposits, since they control the block size distribution and the amount of waste material.

Response of the Alliance 1 Proof-of-Concept Airplane Under Gust Loads

NASA Technical Reports Server (NTRS)

Naser, A. S.; Pototzky, A. S.; Spain, C. V.

2001-01-01

This report presents the work performed by Lockheed Martin's Langley Program Office in support of NASA's Environmental Research Aircraft and Sensor Technology (ERAST) program. The primary purpose of this work was to develop and demonstrate a gust analysis method which accounts for the span-wise variation of gust velocity. This is important because these unmanned aircraft having high aspect ratios and low wing loading are very flexible, and fly at low speeds. The main focus of the work was therefore to perform a two-dimensional Power Spectrum Density (PSD) analysis of the Alliance 1 Proof-of-Concept Unmanned Aircraft, As of this writing, none of the aircraft described in this report have been constructed. They are concepts represented by analytical models. The process first involved the development of suitable structural and aeroelastic Finite Element Models (FEM). This was followed by development of a one-dimensional PSD gust analysis, and then the two-dimensional (PSD) analysis of the Alliance 1. For further validation and comparison, two additional analyses were performed. A two-dimensional PSD gust analysis was performed on a simplet MSC/NASTRAN example problem. Finally a one-dimensional discrete gust analysis was performed on Alliance 1. This report describes this process, shows the relevant comparisons between analytical methods, and discusses the physical meanings of the results.

Mechanical exfoliation of two-dimensional materials

NASA Astrophysics Data System (ADS)

Gao, Enlai; Lin, Shao-Zhen; Qin, Zhao; Buehler, Markus J.; Feng, Xi-Qiao; Xu, Zhiping

2018-06-01

Two-dimensional materials such as graphene and transition metal dichalcogenides have been identified and drawn much attention over the last few years for their unique structural and electronic properties. However, their rise begins only after these materials are successfully isolated from their layered assemblies or adhesive substrates into individual monolayers. Mechanical exfoliation and transfer are the most successful techniques to obtain high-quality single- or few-layer nanocrystals from their native multi-layer structures or their substrate for growth, which involves interfacial peeling and intralayer tearing processes that are controlled by material properties, geometry and the kinetics of exfoliation. This procedure is rationalized in this work through theoretical analysis and atomistic simulations. We propose a criterion to assess the feasibility for the exfoliation of two-dimensional sheets from an adhesive substrate without fracturing itself, and explore the effects of material and interface properties, as well as the geometrical, kinetic factors on the peeling behaviors and the torn morphology. This multi-scale approach elucidates the microscopic mechanism of the mechanical processes, offering predictive models and tools for the design of experimental procedures to obtain single- or few-layer two-dimensional materials and structures.

Tensor of effective susceptibility in random magnetic composites: Application to two-dimensional and three-dimensional cases

NASA Astrophysics Data System (ADS)

Posnansky, Oleg P.

2018-05-01

The measuring of dynamic magnetic susceptibility by nuclear magnetic resonance is used for revealing information about the internal structure of various magnetoactive composites. The response of such material on the applied external static and time-varying magnetic fields encodes intrinsic dynamic correlations and depends on links between macroscopic effective susceptibility and structure on the microscopic scale. In the current work we carried out computational analysis of the frequency dependent dynamic magnetic susceptibility and demonstrated its dependence on the microscopic architectural elements while also considering Euclidean dimensionality. The proposed numerical method is efficient in the simulation of nuclear magnetic resonance experiments in two- and three-dimensional random magnetic media by choosing and modeling the influence of the concentration of components and internal hierarchical characteristics of physical parameters.

Synthesis, crystal structures and luminescent properties of two 4 d-4 f Ln-Ag heterometallic coordination polymers based on anion template

NASA Astrophysics Data System (ADS)

Fan, Le-Qing; Chen, Yuan; Wu, Ji-Huai; Huang, Yun-Fang

2011-04-01

Two new 4 d-4 f Ln-Ag heterometallic coordination polymers, {[ Ln3Ag 5(IN) 10(H 2O) 7]·4(ClO 4)·4(H 2O)} n ( Ln=Eu ( 1) and Sm ( 2), HIN=isonicotinic acid), have been synthesized under hydrothermal conditions by reactions of Ln2O 3, AgNO 3, HIN and HClO 4, and characterized by elemental analysis, IR, thermal analysis and single-crystal X-ray diffraction. It is proved that HClO 4 not only adjusts the pH value of the reaction mixture, but also acts as anion template. The structure determination reveals that 1 and 2 are isostructural and feature a novel two-dimensional (2D) layered hetrometallic structure constructed from one-dimensional Ln-carboxylate chains and pillared Ag(IN) 2 units. The 2D layers are further interlinked through Ag⋯Ag and Ag⋯O(ClO 4-) multiple weak interactions, which form a rare Ag-ClO 4 ribbon in lanthanide-transition metal coordination polymers, to give rise to a three-dimensional supramolecular architecture. Moreover, the luminescent properties of these two compounds have also been investigated at room temperature.

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

NASA Technical Reports Server (NTRS)

Helman, James L.; Hesselink, Lambertus

1990-01-01

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

Two-dimensional cross correlation analysis of protein unfolding: Portrayal of the thermal denaturation of CMP kinases in the absence and presence of substrates

NASA Astrophysics Data System (ADS)

Schultz, Christian P.; Bârzu, Octavian; Mantsch, Henry H.

2000-03-01

The functional role of CMP kinases is to regenerate mono-phosphate nucleotides in cells by transferring phosphate residues from tri-phosphorylated nucleotides to monophosphorylated nucleotides. These enzymes possess two binding sites and maintain a highly conserved secondary structure. They are essential for cell survival. Herein we compare the infrared spectra of two similar, but not identical enzymes, the CMP kinases from Escherichia coli and Bacillus subtilis. A two-dimensional cross correlation analysis of the infrared spectra reveals differences in the denaturation behavior of the two proteins. Different secondary structure elements show different time-delayed or advanced unfolding events in the two enzymes. When bound to the active sites, the two nucleotide-substrates CMP and ATP exert a stabilizing effect on the structure of both proteins. The changes observed upon thermal denaturation are different for the two enzymes. Model 2D correlations are used to simulate the different denaturation of the two enzymes. Thermal denaturation and aggregation can be distinguished as two processes separated in time.

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

NASA Astrophysics Data System (ADS)

Peng, Heng; Liu, Yinghua; Chen, Haofeng

2018-05-01

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

Integrated NDE and FEM characterization of composite rotors

NASA Astrophysics Data System (ADS)

Abdul-Aziz, Ali; Baaklini, George Y.; Trudell, Jeffrey J.

2001-08-01

A structural assessment by integrating finite-element methods (FEM) and a nondestructive evaluation (NDE) of two flywheel rotor assemblies is presented. Composite rotor A is pancake like with a solid hub design, and composite rotor B is cylindrical with a hollow hub design. Detailed analyses under combined centrifugal and interference-fit loading are performed. Two- and three-dimensional stress analyses and two-dimensional fracture mechanics analyses are conducted. A comparison of the structural analysis results obtained with those extracted via NDE findings is reported. Contact effects due to press-fit conditions are evaluated. Stress results generated from the finite-element analyses were corroborated with the analytical solution. Cracks due to rotational loading up to 48 000 rpm for rotor A and 34 000 rpm for rotor B were successfully imaged with NDE and predicted with FEM and fracture mechanics analyses. A procedure that extends current structural analysis to a life prediction tool is also defined.

An Integrated NDE and FEM Characterization of Composite Rotors

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Baaklini, George Y.; Trudell, Jeffrey J.

2000-01-01

A structural assessment by integrating finite-element methods (FEM) and a nondestructive evaluation (NDE) of two flywheel rotor assemblies is presented. Composite rotor A is pancake like with a solid hub design, and composite rotor B is cylindrical with a hollow hub design. Detailed analyses under combined centrifugal and interference-fit loading are performed. Two- and three-dimensional stress analyses and two-dimensional fracture mechanics analyses are conducted. A comparison of the structural analysis results obtained with those extracted via NDE findings is reported. Contact effects due to press-fit conditions are evaluated. Stress results generated from the finite-element analyses were corroborated with the analytical solution. Cracks due to rotational loading up to 49 000 rpm for rotor A and 34 000 rpm for rotor B were successfully imaged with NDE and predicted with FEM and fracture mechanics analyses. A procedure that extends current structural analysis to a life prediction tool is also defined.

Factor structure and psychometric properties of the Body Appreciation Scale among adults in Hong Kong.

PubMed

Ng, Siu-Kuen; Barron, David; Swami, Viren

2015-03-01

Previous research has suggested that the factor structure of Body Appreciation Scale (BAS), a widely-used measure of positive body image, may not be cross-culturally equivalent. Here, we used confirmatory factor analysis to evaluate the conceptual equivalence of a Chinese (Cantonese) translation of the BAS among women (n=1319) and men (n=1084) in Hong Kong. Results showed that neither the one-dimensional nor proposed two-dimensional factor structures had adequate fit. Instead, a modified two-dimensional structure, which retained 9 of the 13 BAS items in two factors, had the best fit. However, only one of these factors, reflective of General Body Appreciation, had adequate internal consistency. This factor also had good patterns of construct validity, as indicated through significant correlations with participant body mass index, self-esteem, and (among women) actual-ideal weight discrepancy. The present results suggest that there may be cultural differences in the concept and experience of body appreciation. Copyright © 2014 Elsevier Ltd. All rights reserved.

User's Guide for ECAP2D: an Euler Unsteady Aerodynamic and Aeroelastic Analysis Program for Two Dimensional Oscillating Cascades, Version 1.0

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.

1995-01-01

This guide describes the input data required for using ECAP2D (Euler Cascade Aeroelastic Program-Two Dimensional). ECAP2D can be used for steady or unsteady aerodynamic and aeroelastic analysis of two dimensional cascades. Euler equations are used to obtain aerodynamic forces. The structural dynamic equations are written for a rigid typical section undergoing pitching (torsion) and plunging (bending) motion. The solution methods include harmonic oscillation method, influence coefficient method, pulse response method, and time integration method. For harmonic oscillation method, example inputs and outputs are provided for pitching motion and plunging motion. For the rest of the methods, input and output for pitching motion only are given.

Nonlinear static and dynamic analysis of beam structures using fully intrinsic equations

NASA Astrophysics Data System (ADS)

Sotoudeh, Zahra

2011-07-01

Beams are structural members with one dimension much larger than the other two. Examples of beams include propeller blades, helicopter rotor blades, and high aspect-ratio aircraft wings in aerospace engineering; shafts and wind turbine blades in mechanical engineering; towers, highways and bridges in civil engineering; and DNA modeling in biomedical engineering. Beam analysis includes two sets of equations: a generally linear two-dimensional problem over the cross-sectional plane and a nonlinear, global one-dimensional analysis. This research work deals with a relatively new set of equations for one-dimensional beam analysis, namely the so-called fully intrinsic equations. Fully intrinsic equations comprise a set of geometrically exact, nonlinear, first-order partial differential equations that is suitable for analyzing initially curved and twisted anisotropic beams. A fully intrinsic formulation is devoid of displacement and rotation variables, making it especially attractive because of the absence of singularities, infinite-degree nonlinearities, and other undesirable features associated with finite rotation variables. In spite of the advantages of these equations, using them with certain boundary conditions presents significant challenges. This research work will take a broad look at these challenges of modeling various boundary conditions when using the fully intrinsic equations. Hopefully it will clear the path for wider and easier use of the fully intrinsic equations in future research. This work also includes application of fully intrinsic equations in structural analysis of joined-wing aircraft, different rotor blade configuration and LCO analysis of HALE aircraft.

Thermal stability and structural characterization of organic/inorganic hybrid nonlinear optical material containing a two-dimensional chromophore.

PubMed

Chang, Po-Hsun; Tsai, Hsieh-Chih; Chen, Yu-Ren; Chen, Jian-Yu; Hsiue, Ging-Ho

2008-10-21

In this study, two nonlinear optic hybrid materials with different dimensional alkoxysilane dyes were prepared and characterized. One NLO silane (Cz2PhSO 2OH- TES), a two-dimensional structure based on carbazole, had a larger rotational volume than the other (DR19-TES). Second harmonic ( d 33) analysis verified there is an optimum heating process for the best poling efficiency. The maximum d 33 value of NLO hybrid film containing Cz2PhSO 2OH was obtained for 10.7 pm/V after precuring at 150 degrees C for 3 h and poling at 210 degrees C for 60 min. The solid-state (29)Si NMR spectrum shows that the main factor influencing poling efficiency and thermal stability was cross-linking degree of NLO silane, but not that of TMOS. In particular, the two-dimensional sol-gel system has a greater dynamic and temporary stability than the one-dimensional system due to Cz2PhSO 2OH-TES requiring a larger volume to rotate in the hybrid matrix after cross-linking.

The Fundamental Structure and the Reproduction of Spiral Wave in a Two-Dimensional Excitable Lattice.

PubMed

Qian, Yu; Zhang, Zhaoyang

2016-01-01

In this paper we have systematically investigated the fundamental structure and the reproduction of spiral wave in a two-dimensional excitable lattice. A periodically rotating spiral wave is introduced as the model to reproduce spiral wave artificially. Interestingly, by using the dominant phase-advanced driving analysis method, the fundamental structure containing the loop structure and the wave propagation paths has been revealed, which can expose the periodically rotating orbit of spiral tip and the charity of spiral wave clearly. Furthermore, the fundamental structure is utilized as the core for artificial spiral wave. Additionally, the appropriate parameter region, in which the artificial spiral wave can be reproduced, is studied. Finally, we discuss the robustness of artificial spiral wave to defects.

Softly-confined water cluster between freestanding graphene sheets

NASA Astrophysics Data System (ADS)

Agustian, Rifan; Akaishi, Akira; Nakamura, Jun

2018-01-01

Confined water could adopt new forms not seen in the open air, such as a two-dimensional (2D) square ice trapped between two graphene sheets [Algara-Siller et al., Nature 519, 443-445 (2015)]. In this study, in order to investigate how the flexibility of graphene affects the confined structure of water molecules, we employed classical molecular dynamics simulations with Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential to produce a soft-confining property of graphene. We discovered various solid-like structures of water molecules ranging from two-dimensional to three-dimensional structure encapsulated between two freestanding graphene sheets even at room temperature (300K). A small amount of water encapsulation leads to a layered two-dimensional form with triangular structure. On the other hand, large amounts of water molecules take a three-dimensional flying-saucer-like form with the square ice intra-layer structure. There is also a metastable state where both two-dimensional and three-dimensional structures coexist.

High resolution multidetector CT aided tissue analysis and quantification of lung fibrosis

NASA Astrophysics Data System (ADS)

Zavaletta, Vanessa A.; Karwoski, Ronald A.; Bartholmai, Brian; Robb, Richard A.

2006-03-01

Idiopathic pulmonary fibrosis (IPF, also known as Idiopathic Usual Interstitial Pneumontis, pathologically) is a progressive diffuse lung disease which has a median survival rate of less than four years with a prevalence of 15-20/100,000 in the United States. Global function changes are measured by pulmonary function tests and the diagnosis and extent of pulmonary structural changes are typically assessed by acquiring two-dimensional high resolution CT (HRCT) images. The acquisition and analysis of volumetric high resolution Multi-Detector CT (MDCT) images with nearly isotropic pixels offers the potential to measure both lung function and structure. This paper presents a new approach to three dimensional lung image analysis and classification of normal and abnormal structures in lungs with IPF.

Superaging and Subaging Phenomena in a Nonequilibrium Critical Behavior of the Structurally Disordered Two-Dimensional XY Model

NASA Astrophysics Data System (ADS)

Prudnikov, V. V.; Prudnikov, P. V.; Popov, I. S.

2018-03-01

A Monte Carlo numerical simulation of the specific features of nonequilibrium critical behavior is carried out for the two-dimensional structurally disordered XY model during its evolution from a low-temperature initial state. On the basis of the analysis of the two-time dependence of autocorrelation functions and dynamic susceptibility for systems with spin concentrations of p = 1.0, 0.9, and 0.6, aging phenomena characterized by a slowing down of the relaxation system with increasing waiting time and the violation of the fluctuation-dissipation theorem (FDT) are revealed. The values of the universal limiting fluctuation-dissipation ratio (FDR) are obtained for the systems considered. As a result of the analysis of the two-time scaling dependence for spin-spin and connected spin autocorrelation functions, it is found that structural defects lead to subaging phenomena in the behavior of the spin-spin autocorrelation function and superaging phenomena in the behavior of the connected spin autocorrelation function.

ASTROP2 users manual: A program for aeroelastic stability analysis of propfans

NASA Technical Reports Server (NTRS)

Narayanan, G. V.; Kaza, K. R. V.

1991-01-01

A user's manual is presented for the aeroelastic stability and response of propulsion systems computer program called ASTROP2. The ASTROP2 code preforms aeroelastic stability analysis of rotating propfan blades. This analysis uses a two-dimensional, unsteady cascade aerodynamics model and a three-dimensional, normal-mode structural model. Analytical stability results from this code are compared with published experimental results of a rotating composite advanced turboprop model and of nonrotating metallic wing model.

Statistical Methods for Turbine Blade Dynamics

DTIC Science & Technology

2008-09-30

disks Journal of Sound and Vibration 317 , pp. 625-645. Calanni, G., Volovoi, V., Ruzzene, M, Vining, C., Cento, P., (2007). Application of Bayesian...are investigated for two vibration problems regarding a one-dimensional beam and a three-dimensional plate structure. It is to be noted that the...gaps," Reliability Engi- neering and System Safety, no. 85, pp. 249-266, 2004. [8] BENFIELD, W. A. andHRUDA, R. F., " Vibration analysis of structures

A new Pb{sup II}(ethylenediaminetetraacetate) coordination polymer with a two-dimensional layer structure

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

Zhao, D., E-mail: iamzd@hpu.edu.cn; Zhang, R. H.; Li, F. F.

2016-12-15

A new Pb{sup II}−edta{sup 4–} coordination polymer, Pb{sub 2}(edta)(H{sub 2}O){sub 0.76} (edta{sup 4–} = ethylenediaminetetraacetate) was synthesized under hydrothermal condition. Single crystal X-ray analysis reveals that it represents a novel two-dimensional (2D) Pb{sup 2+}–edta{sup 4–} layer structure with a (4,8{sup 2})-topology. Each edta{sup 4–} ligand employs its four carboxylate O and two N atoms to chelate one Pb{sup II} atom (hexa-coordinated) and connects five Pb{sup II} atoms (ennea-coordinated) via its four carboxylate groups to form 2D layer framework. Adjacent layers are packed into the overall structure through vander Waals interactions.

A Simplified Mesh Deformation Method Using Commercial Structural Analysis Software

NASA Technical Reports Server (NTRS)

Hsu, Su-Yuen; Chang, Chau-Lyan; Samareh, Jamshid

2004-01-01

Mesh deformation in response to redefined or moving aerodynamic surface geometries is a frequently encountered task in many applications. Most existing methods are either mathematically too complex or computationally too expensive for usage in practical design and optimization. We propose a simplified mesh deformation method based on linear elastic finite element analyses that can be easily implemented by using commercially available structural analysis software. Using a prescribed displacement at the mesh boundaries, a simple structural analysis is constructed based on a spatially varying Young s modulus to move the entire mesh in accordance with the surface geometry redefinitions. A variety of surface movements, such as translation, rotation, or incremental surface reshaping that often takes place in an optimization procedure, may be handled by the present method. We describe the numerical formulation and implementation using the NASTRAN software in this paper. The use of commercial software bypasses tedious reimplementation and takes advantage of the computational efficiency offered by the vendor. A two-dimensional airfoil mesh and a three-dimensional aircraft mesh were used as test cases to demonstrate the effectiveness of the proposed method. Euler and Navier-Stokes calculations were performed for the deformed two-dimensional meshes.

Validation of Temperature Histories for Structural Steel Welds Using Estimated Heat-Affected-Zone Edges

DTIC Science & Technology

2016-10-12

used parametrically for inverse thermal analysis of welds corresponding to other welding processes whose process conditions are within similar...regimes. The present study applies an inverse thermal analysis procedure that uses three-dimensional constraint conditions whose two-dimensional...Memorandum Report 63-0000-00 Office of Naval Research One Liberty Center 875 North Randolph Street, Suite 1425 Arlington, VA 22203-1995 ONR Inverse

Profiling analysis of low molecular weight heparins by multiple heart-cutting two dimensional chromatography with quadruple time-of-flight mass spectrometry.

PubMed

Ouyang, Yilan; Zeng, Yangyang; Rong, Yinxiu; Song, Yue; Shi, Lv; Chen, Bo; Yang, Xinlei; Xu, Naiyu; Linhardt, Robert J; Zhang, Zhenqing

2015-09-01

Low molecular weight heparins (LMWHs) are polydisperse and microheterogenous mixtures of polysaccharides used as anticoagulant drugs. Profiling analysis is important for obtaining deeper insights into the structure of LMWHs. Previous oligosaccharide mapping methods are relatively low resolution and are unable to show an entire picture of the structural complexity of LMWHs. In the current study a profiling method was developed relying on multiple heart-cutting, two-dimensional, ultrahigh performance liquid chromatography with quadruple time-of-flight mass spectrometry. This represents an efficient, automated, and robust approach for profiling LMWHs. Using size-exclusion chromatography and ion-pairing reversed-phase chromatography in a two-dimensional separation, LMW components of different sizes and LMW components of the same size but with different charges and polarities can be resolved, providing a more complete picture of a LMWH. Structural information on each component was then obtained with quadrupole time-of-flight mass spectrometry. More than 80 and 120 oligosaccharides were observed and unambiguously assigned from the LMWHs, nadroparin and enoxaparin, respectively. This method might be useful for quality control of LMWHs and as a powerful tool for heparin-related glycomics.

Visualizing nD Point Clouds as Topological Landscape Profiles to Guide Local Data Analysis

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

Oesterling, Patrick; Heine, Christian; Weber, Gunther H.

2012-05-04

Analyzing high-dimensional point clouds is a classical challenge in visual analytics. Traditional techniques, such as projections or axis-based techniques, suffer from projection artifacts, occlusion, and visual complexity.We propose to split data analysis into two parts to address these shortcomings. First, a structural overview phase abstracts data by its density distribution. This phase performs topological analysis to support accurate and non-overlapping presentation of the high-dimensional cluster structure as a topological landscape profile. Utilizing a landscape metaphor, it presents clusters and their nesting as hills whose height, width, and shape reflect cluster coherence, size, and stability, respectively. A second local analysis phasemore » utilizes this global structural knowledge to select individual clusters or point sets for further, localized data analysis. Focusing on structural entities significantly reduces visual clutter in established geometric visualizations and permits a clearer, more thorough data analysis. In conclusion, this analysis complements the global topological perspective and enables the user to study subspaces or geometric properties, such as shape.« less

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Determination of secondary flow morphologies by wavelet analysis in a curved artery model with physiological inflow

NASA Astrophysics Data System (ADS)

Bulusu, Kartik V.; Hussain, Shadman; Plesniak, Michael W.

2014-11-01

Secondary flow vortical patterns in arterial curvatures have the potential to affect several cardiovascular phenomena, e.g., progression of atherosclerosis by altering wall shear stresses, carotid atheromatous disease, thoracic aortic aneurysms and Marfan's syndrome. Temporal characteristics of secondary flow structures vis-à-vis physiological (pulsatile) inflow waveform were explored by continuous wavelet transform (CWT) analysis of phase-locked, two-component, two-dimensional particle image velocimeter data. Measurements were made in a 180° curved artery test section upstream of the curvature and at the 90° cross-sectional plane. Streamwise, upstream flow rate measurements were analyzed using a one-dimensional antisymmetric wavelet. Cross-stream measurements at the 90° location of the curved artery revealed interesting multi-scale, multi-strength coherent secondary flow structures. An automated process for coherent structure detection and vortical feature quantification was applied to large ensembles of PIV data. Metrics such as the number of secondary flow structures, their sizes and strengths were generated at every discrete time instance of the physiological inflow waveform. An autonomous data post-processing method incorporating two-dimensional CWT for coherent structure detection was implemented. Loss of coherence in secondary flow structures during the systolic deceleration phase is observed in accordance with previous research. The algorithmic approach presented herein further elucidated the sensitivity and dependence of morphological changes in secondary flow structures on quasiperiodicity and magnitude of temporal gradients in physiological inflow conditions.

Two-dimensional analysis of coupled heat and moisture transport in masonry structures

NASA Astrophysics Data System (ADS)

Krejčí, Tomáš

2016-06-01

Reconstruction and maintenance of historical buildings and bridges require good knowledge of temperature and moisture distribution. Sharp changes in the temperature and moisture can lead to damage. This paper describes analysis of coupled heat and moisture transfer in masonry based on two-level approach. Macro-scale level describes the whole structure while meso-scale level takes into account detailed composition of the masonry. The two-level approach is very computationally demanding and it was implemented in parallel. The two-level approach was used in analysis of temperature and moisture distribution in Charles bridge in Prague, Czech Republic.

Solution of the Burnett equations for hypersonic flows near the continuum limit

NASA Technical Reports Server (NTRS)

Imlay, Scott T.

1992-01-01

The INCA code, a three-dimensional Navier-Stokes code for analysis of hypersonic flowfields, was modified to analyze the lower reaches of the continuum transition regime, where the Navier-Stokes equations become inaccurate and Monte Carlo methods become too computationally expensive. The two-dimensional Burnett equations and the three-dimensional rotational energy transport equation were added to the code and one- and two-dimensional calculations were performed. For the structure of normal shock waves, the Burnett equations give consistently better results than Navier-Stokes equations and compare reasonably well with Monte Carlo methods. For two-dimensional flow of Nitrogen past a circular cylinder the Burnett equations predict the total drag reasonably well. Care must be taken, however, not to exceed the range of validity of the Burnett equations.

Development of an integrated BEM for hot fluid-structure interaction

NASA Technical Reports Server (NTRS)

Banerjee, P. K.; Dargush, G. F.

1989-01-01

The Boundary Element Method (BEM) is chosen as a basic analysis tool principally because the definition of quantities like fluxes, temperature, displacements, and velocities is very precise on a boundary base discretization scheme. One fundamental difficulty is, of course, that the entire analysis requires a very considerable amount of analytical work which is not present in other numerical methods. During the last 18 months all of this analytical work was completed and a two-dimensional, general purpose code was written. Some of the early results are described. It is anticipated that within the next two to three months almost all two-dimensional idealizations will be examined. It should be noted that the analytical work for the three-dimensional case has also been done and numerical implementation will begin next year.

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

NASA Astrophysics Data System (ADS)

Vorotnikov, K.; Starosvetsky, Y.

2018-01-01

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

Spectral analysis of magnetic anomalies in and around the Philippine Sea

NASA Astrophysics Data System (ADS)

Tanaka, A.; Ishihara, T.

2009-12-01

Regional compilations of lithospheric structure from various methods and data and comparison among them are useful to understand lithospheric structure and the processes behind its formation and evolution. We present constraints on the regional variations of the magnetic thicknesses in and around the Philippine Sea. We used a new global magnetic anomaly data [Quesnel et al, 2009], which is CM4-corrected [Comprehensive Model 4; Sabaka et al., 2004], cleaned and leveled to clarify the three-dimensional crustal magnetic structure of the Philippine Sea. The Philippine Sea is one of the largest marginal seas of the world. The north-south-trending Kyushu-Palau Ridge divides it into two parts: the West Philippine Basin and the Daito Ridge province in the west and the Shikoku and Parece Vela Basins in the east. The age of the basins increases westward [Karig, 1971]. And, there are three ridges in the Daito Ridge province west of the Kyushu-Palau Ridge; the Oki-Daito, Daito Ridges and the Amami Plateau from south to north, and small basins among them. Two-dimensional spectral analysis of marine magnetic anomalies is used to estimate the centroid of magnetic sources (Zo) to constrain the lithospheric structure [Tanaka and Ishihara, 2008]. The method is based on that of Spector and Grant [1970]. Zo distribution of the Philippine Sea shows occurrence of shallow magnetic layer areas with approximately less than 10 km in the Shikoku Basin. It also shows variations in deep and shallow magnetic layer areas in the Amami-Daito Province. These patters correspond to spatial variations of the crustal thickness deduced from the three-dimensional gravity modeling [Ishihara and Koda, 2007] and acoustic basement structures [Higuchi et al., 2007]. These three spatial distributions are roughly consistent with each other, although they may contain some scatters and bias due to the different characteristics and errors. This two-dimensional spectral analysis method is based upon an assumption that source distribution is random; therefore when magnetic anomalies represent linear features, this analysis based on ensembles of thin prisms may produce unreliable results. In this case, one-dimensional spectrum analysis based on a thin plate model composed of long bars is preferable. Makino and Okubo [1988] developed one-dimensional spectral analysis for marine linear magnetic anomalies. A linear relationship between the natural log of (power-density spectrum of magnetic profile) and wavelength gives the centroid depth of magnetic sources. The same method is applied to this area. This analysis requires a long profile to see deeper structure. It may not be possible to find good enough data. However, both methods give consistent results, and the obtained Zo distribution provides a comprehensive view of regional-scale features. The correlation between crustal thickness and Zo and its correspondence with tectonic regime indicates that Zo is useful to delineate regional crustal thermal structure. It is expected that Zo combined with multidisciplinary data should help to infer geophysical and geological information in the less explored regions.

Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

NASA Technical Reports Server (NTRS)

Harik, V. M.

2001-01-01

Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

A small-scale turbulence model

NASA Technical Reports Server (NTRS)

Lundgren, T. S.

1992-01-01

A model for the small-scale structure of turbulence is reformulated in such a way that it may be conveniently computed. The model is an ensemble of randomly oriented structured two dimensional vortices stretched by an axially symmetric strain flow. The energy spectrum of the resulting flow may be expressed as a time integral involving only the enstrophy spectrum of the time evolving two-dimensional cross section flow, which may be obtained numerically. Examples are given in which a k(exp -5/3) spectrum is obtained by this method without using large wave number asymptotic analysis. The k(exp -5/3) inertial range spectrum is shown to be related to the existence of a self-similar enstrophy preserving range in the two-dimensional enstrophy spectrum. The results are insensitive to time dependence of the strain-rate, including even intermittent on-or-off strains.

Electronic structure of boron based single and multi-layer two dimensional materials

NASA Astrophysics Data System (ADS)

Miyazato, Itsuki; Takahashi, Keisuke

2017-09-01

Two dimensional nanosheets based on boron and Group VA elements are designed and characterized using first principles calculations. B-N, B-P, B-As, B-Sb, and B-Bi are found to possess honeycomb structures where formation energies indicate exothermic reactions. Contrary to B-N, the cases of B-P, B-As, B-Sb, and B-Bi nanosheets are calculated to possess narrow band gaps. In addition, calculations reveal that the electronegativity difference between B and Group VA elements in the designed materials is a good indicator to predict the charge transfer and band gap of the two dimensional materials. Hydrogen adsorption over defect-free B-Sb and B-Bi results in exothermic reactions, while defect-free B-N, B-P, and B-As result in endothermic reactions. The layerability of the designed two dimensional materials is also investigated where the electronic structure of two-layered two dimensional materials is strongly coupled with how the two dimensional materials are layered. Thus, one can consider that the properties of two dimensional materials can be controlled by the composition of two dimensional materials and the structure of layers.

The Fundamental Structure and the Reproduction of Spiral Wave in a Two-Dimensional Excitable Lattice

PubMed Central

Qian, Yu; Zhang, Zhaoyang

2016-01-01

In this paper we have systematically investigated the fundamental structure and the reproduction of spiral wave in a two-dimensional excitable lattice. A periodically rotating spiral wave is introduced as the model to reproduce spiral wave artificially. Interestingly, by using the dominant phase-advanced driving analysis method, the fundamental structure containing the loop structure and the wave propagation paths has been revealed, which can expose the periodically rotating orbit of spiral tip and the charity of spiral wave clearly. Furthermore, the fundamental structure is utilized as the core for artificial spiral wave. Additionally, the appropriate parameter region, in which the artificial spiral wave can be reproduced, is studied. Finally, we discuss the robustness of artificial spiral wave to defects. PMID:26900841

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

NASA Astrophysics Data System (ADS)

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

2012-11-01

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

Algebraic multigrid methods applied to problems in computational structural mechanics

NASA Technical Reports Server (NTRS)

Mccormick, Steve; Ruge, John

1989-01-01

The development of algebraic multigrid (AMG) methods and their application to certain problems in structural mechanics are described with emphasis on two- and three-dimensional linear elasticity equations and the 'jacket problems' (three-dimensional beam structures). Various possible extensions of AMG are also described. The basic idea of AMG is to develop the discretization sequence based on the target matrix and not the differential equation. Therefore, the matrix is analyzed for certain dependencies that permit the proper construction of coarser matrices and attendant transfer operators. In this manner, AMG appears to be adaptable to structural analysis applications.

Quantitative 3D reconstruction of airway and pulmonary vascular trees using HRCT

NASA Astrophysics Data System (ADS)

Wood, Susan A.; Hoford, John D.; Hoffman, Eric A.; Zerhouni, Elias A.; Mitzner, Wayne A.

1993-07-01

Accurate quantitative measurements of airway and vascular dimensions are essential to evaluate function in the normal and diseased lung. In this report, a novel method is described for three-dimensional extraction and analysis of pulmonary tree structures using data from High Resolution Computed Tomography (HRCT). Serially scanned two-dimensional slices of the lower left lobe of isolated dog lungs were stacked to create a volume of data. Airway and vascular trees were three-dimensionally extracted using a three dimensional seeded region growing algorithm based on difference in CT number between wall and lumen. To obtain quantitative data, we reduced each tree to its central axis. From the central axis, branch length is measured as the distance between two successive branch points, branch angle is measured as the angle produced by two daughter branches, and cross sectional area is measured from a plane perpendicular to the central axis point. Data derived from these methods can be used to localize and quantify structural differences both during changing physiologic conditions and in pathologic lungs.

Multiparticle collision simulations of two-dimensional one-component plasmas: Anomalous transport and dimensional crossovers

NASA Astrophysics Data System (ADS)

Di Cintio, Pierfrancesco; Livi, Roberto; Lepri, Stefano; Ciraolo, Guido

2017-04-01

By means of hybrid multiparticle collsion-particle-in-cell (MPC-PIC) simulations we study the dynamical scaling of energy and density correlations at equilibrium in moderately coupled two-dimensional (2D) and quasi-one-dimensional (1D) plasmas. We find that the predictions of nonlinear fluctuating hydrodynamics for the structure factors of density and energy fluctuations in 1D systems with three global conservation laws hold true also for 2D systems that are more extended along one of the two spatial dimensions. Moreover, from the analysis of the equilibrium energy correlators and density structure factors of both 1D and 2D neutral plasmas, we find that neglecting the contribution of the fluctuations of the vanishing self-consistent electrostatic fields overestimates the interval of frequencies over which the anomalous transport is observed. Such violations of the expected scaling in the currents correlation are found in different regimes, hindering the observation of the asymptotic scaling predicted by the theory.

Wave Propagation Measurements on Two-Dimensional Lattice.

DTIC Science & Technology

1985-09-15

of boundaries, lattice member connectivities, and structural defects on these parameters. Perhaps, statistical energy analysis or pattern recognition techniques would also be of benefit in such efforts.

Posttest analysis of a 1:6-scale reinforced concrete reactor containment building

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

Weatherby, J.R.

In an experiment conducted at Sandia National Laboratories, 1:6-scale model of a reinforced concrete light water reactor containment building was pressurized with nitrogen gas to more than three times its design pressure. The pressurization produced one large tear and several smaller tears in the steel liner plate that functioned as the primary pneumatic seal for the structure. The data collected from the overpressurization test have been used to evaluate and further refine methods of structural analysis that can be used to predict the performance of containment buildings under conditions produced by a severe accident. This report describes posttest finite elementmore » analyses of the 1:6-scale model tests and compares pretest predictions of the structural response to the experimental results. Strain and displacements calculated in axisymmetric finite element analyses of the 1:6-scale model are compared to strains and displacement measured in the experiment. Detailed analyses of the liner plate are also described in the report. The region of the liner surrounding the large tear was analyzed using two different two-dimensional finite elements model. The results from these analyzed indicate that the primary mechanisms that initiated the tear can be captured in a two- dimensional finite element model. Furthermore, the analyses show that studs used to anchor the liner to the concrete wall, played an important role in initiating the liner tear. Three-dimensional finite element analyses of liner plates loaded by studs are also presented. Results from the three-dimensional analyses are compared to results from two-dimensional analyses of the same problems. 12 refs., 56 figs., 1 tab.« less

Isothermal crystallization of poly(3-hydroxybutyrate) studied by terahertz two-dimensional correlation spectroscopy

NASA Astrophysics Data System (ADS)

Hoshina, Hiromichi; Ishii, Shinya; Morisawa, Yusuke; Sato, Harumi; Noda, Isao; Ozaki, Yukihiro; Otani, Chiko

2012-01-01

The isothermal crystallization of poly(3-hydroxybutylate) (PHB) was studied by monitoring the temporal evolution of terahertz absorption spectra in conjunction with spectral analysis using two-dimensional correlation spectroscopy. Correlation between the absorption peaks and the sequential order of the changes in spectral intensity extracted from synchronous and asynchronous plots indicated that crystallization of PHB at 90 °C is a two step process, in which C-H...O=C hydrogen bonds are initially formed before well-defined crystal structures are established.

Factors Influencing Progressive Failure Analysis Predictions for Laminated Composite Structure

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.

2008-01-01

Progressive failure material modeling methods used for structural analysis including failure initiation and material degradation are presented. Different failure initiation criteria and material degradation models are described that define progressive failure formulations. These progressive failure formulations are implemented in a user-defined material model for use with a nonlinear finite element analysis tool. The failure initiation criteria include the maximum stress criteria, maximum strain criteria, the Tsai-Wu failure polynomial, and the Hashin criteria. The material degradation model is based on the ply-discounting approach where the local material constitutive coefficients are degraded. Applications and extensions of the progressive failure analysis material model address two-dimensional plate and shell finite elements and three-dimensional solid finite elements. Implementation details are described in the present paper. Parametric studies for laminated composite structures are discussed to illustrate the features of the progressive failure modeling methods that have been implemented and to demonstrate their influence on progressive failure analysis predictions.

Aeroelastic stability analyses of two counter rotating propfan designs for a cruise missile model

NASA Technical Reports Server (NTRS)

Mahajan, Aparajit J.; Lucero, John M.; Mehmed, Oral; Stefko, George L.

1992-01-01

Aeroelastic stability analyses were performed to insure structural integrity of two counterrotating propfan blade designs for a NAVY/Air Force/NASA cruise missile model wind tunnel test. This analysis predicted if the propfan designs would be flutter free at the operating conditions of the wind tunnel test. Calculated stability results are presented for the two blade designs with rotational speed and Mach number as the parameters. A aeroelastic analysis code ASTROP2 (Aeroelastic Stability and Response of Propulsion Systems - 2 Dimensional Analysis), developed at LeRC, was used in this project. The aeroelastic analysis is a modal method and uses the combination of a finite element structural model and two dimensional steady and unsteady cascade aerodynamic models. This code was developed to analyze single rotation propfans but was modified and applied to counterrotating propfans for the present work. Modifications were made to transform the geometry and rotation of the aft rotor to the same reference frame as the forward rotor, to input a non-uniform inflow into the rotor being analyzed, and to automatically converge to the least stable aeroelastic mode.

Atomic structure of a metal-supported two-dimensional germania film

NASA Astrophysics Data System (ADS)

Lewandowski, Adrián Leandro; Schlexer, Philomena; Büchner, Christin; Davis, Earl M.; Burrall, Hannah; Burson, Kristen M.; Schneider, Wolf-Dieter; Heyde, Markus; Pacchioni, Gianfranco; Freund, Hans-Joachim

2018-03-01

The growth and microscopic characterization of two-dimensional germania films is presented. Germanium oxide monolayer films were grown on Ru(0001) by physical vapor deposition and subsequent annealing in oxygen. We obtain a comprehensive image of the germania film structure by combining intensity-voltage low-energy electron diffraction (I/V-LEED) and ab initio density functional theory (DFT) analysis with atomic-resolution scanning tunneling microscopy (STM) imaging. For benchmarking purposes, the bare Ru(0001) substrate and the (2 ×2 )3 O covered Ru(0001) were analyzed with I/V-LEED with respect to previous reports. STM topographic images of the germania film reveal a hexagonal network where the oxygen and germanium atom positions appear in different imaging contrasts. For quantitative LEED, the best agreement has been achieved with DFT structures where the germanium atoms are located preferentially on the top and fcc hollow sites of the Ru(0001) substrate. Moreover, in these atomically flat germania films, local site geometries, i.e., tetrahedral building blocks, ring structures, and domain boundaries, have been identified, indicating possible pathways towards two-dimensional amorphous networks.

Resonant scattering from a two-dimensional honeycomb PT dipole structure

NASA Astrophysics Data System (ADS)

Markoš, P.; Kuzmiak, V.

2018-05-01

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

SUPIN: A Computational Tool for Supersonic Inlet Design

NASA Technical Reports Server (NTRS)

Slater, John W.

2016-01-01

A computational tool named SUPIN is being developed to design and analyze the aerodynamic performance of supersonic inlets. The inlet types available include the axisymmetric pitot, three-dimensional pitot, axisymmetric outward-turning, two-dimensional single-duct, two-dimensional bifurcated-duct, and streamline-traced inlets. The aerodynamic performance is characterized by the flow rates, total pressure recovery, and drag. The inlet flow-field is divided into parts to provide a framework for the geometry and aerodynamic modeling. Each part of the inlet is defined in terms of geometric factors. The low-fidelity aerodynamic analysis and design methods are based on analytic, empirical, and numerical methods which provide for quick design and analysis. SUPIN provides inlet geometry in the form of coordinates, surface angles, and cross-sectional areas. SUPIN can generate inlet surface grids and three-dimensional, structured volume grids for use with higher-fidelity computational fluid dynamics (CFD) analysis. Capabilities highlighted in this paper include the design and analysis of streamline-traced external-compression inlets, modeling of porous bleed, and the design and analysis of mixed-compression inlets. CFD analyses are used to verify the SUPIN results.

STARS: A general-purpose finite element computer program for analysis of engineering structures

NASA Technical Reports Server (NTRS)

Gupta, K. K.

1984-01-01

STARS (Structural Analysis Routines) is primarily an interactive, graphics-oriented, finite-element computer program for analyzing the static, stability, free vibration, and dynamic responses of damped and undamped structures, including rotating systems. The element library consists of one-dimensional (1-D) line elements, two-dimensional (2-D) triangular and quadrilateral shell elements, and three-dimensional (3-D) tetrahedral and hexahedral solid elements. These elements enable the solution of structural problems that include truss, beam, space frame, plane, plate, shell, and solid structures, or any combination thereof. Zero, finite, and interdependent deflection boundary conditions can be implemented by the program. The associated dynamic response analysis capability provides for initial deformation and velocity inputs, whereas the transient excitation may be either forces or accelerations. An effective in-core or out-of-core solution strategy is automatically employed by the program, depending on the size of the problem. Data input may be at random within a data set, and the program offers certain automatic data-generation features. Input data are formatted as an optimal combination of free and fixed formats. Interactive graphics capabilities enable convenient display of nodal deformations, mode shapes, and element stresses.

Comprehensive two-dimensional liquid chromatography for polyphenol analysis in foodstuffs.

PubMed

Cacciola, Francesco; Farnetti, Sara; Dugo, Paola; Marriott, Philip John; Mondello, Luigi

2017-01-01

Polyphenols are a class of plant secondary metabolites that are recently drawing a special interest because of their broad spectrum of pharmacological effects. As they are characterized by an enormous structural variability, the identification of these molecules in food samples is a difficult task, and sometimes having only a limited number of commercially available reference materials is not of great help. One-dimensional liquid chromatography is the most widely applied analytical approach for their analysis. In particular, the hyphenation of liquid chromatography to mass spectrometry has come to play an influential role by allowing relatively fast tentative identification and accurate quantification of polyphenolic compounds at trace levels in vegetable media. However, when dealing with very complex real-world food samples, a single separation system often does not provide sufficient resolving power for attaining rewarding results. Comprehensive two-dimensional liquid chromatography is a technique of great analytical impact, since it offers much higher peak capacities than separations in a single dimension. In the present review, we describe applications in the field of comprehensive two-dimensional liquid chromatography for polyphenol analysis in real-world food samples. Comprehensive two-dimensional liquid chromatography applications to nonfood matrices fall outside the scope of the current report and will not be discussed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biomimetic peptoid polymers

DOEpatents

Zuckermann, Ronald N.; Chu, Tammy K.; Nam, Ki Tae

2015-07-07

The present invention provides for novel peptoid oligomers that are capable of self-assembling into two-dimensional sheet structures. The peptoid oligomers can have alternately hydrophilic or polar side-chains and hydrophobic or apolar side-chains. The peptoid oligomers, and the two-dimensional sheet structures, can be applied to biological applications where the peptoid plays a role as a biological scaffold or building block. Also, the two-dimensional sheet structures of the present invention can be used as two-dimensional nanostructures in device applications.

Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions.

PubMed

Garai, Mousumi; Biradha, Kumar

2015-09-01

The homologous series of phenyl and pyridyl substituted bis(acrylamido)alkanes have been synthesized with the aim of systematic analysis of their crystal structures and their solid-state [2 + 2] reactivities. The changes in the crystal structures with respect to a small change in the molecular structure, that is by varying alkyl spacers between acrylamides and/or by varying the end groups (phenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl) on the C-terminal of the amide, were analyzed in terms of hydrogen-bonding interference (N-H⋯Npy versus N-H⋯O=C) and network geometries. In this series, a greater tendency towards the formation of N-H⋯O hydrogen bonds (β-sheets and two-dimensional networks) over N-H⋯N hydrogen bonds was observed. Among all the structures seven structures were found to have the required alignments of double bonds for the [2 + 2] reaction such that the formations of single dimer, double dimer and polymer are facilitated. However, only four structures were found to exhibit such a solid-state [2 + 2] reaction to form a single dimer and polymers. The two-dimensional hydrogen-bonding layer via N-H⋯O hydrogen bonds was found to promote solid-state [2 + 2] photo-polymerization in a single-crystal-to-single-crystal manner. Such two-dimensional layers were encountered only when the spacer between acryl amide moieties is butyl. Only four out of the 16 derivatives were found to form hydrates, two each from 2-pyridyl and 4-pyridyl derivatives. The water molecules in these structures govern the hydrogen-bonding networks by the formation of an octameric water cluster and one-dimensional zigzag water chains. The trends in the melting points and densities were also analyzed.

Framework for SEM contour analysis

NASA Astrophysics Data System (ADS)

Schneider, L.; Farys, V.; Serret, E.; Fenouillet-Beranger, C.

2017-03-01

SEM images provide valuable information about patterning capability. Geometrical properties such as Critical Dimension (CD) can be extracted from them and are used to calibrate OPC models, thus making OPC more robust and reliable. However, there is currently a shortage of appropriate metrology tools to inspect complex two-dimensional patterns in the same way as one would work with simple one-dimensional patterns. In this article we present a full framework for the analysis of SEM images. It has been proven to be fast, reliable and robust for every type of structure, and particularly for two-dimensional structures. To achieve this result, several innovative solutions have been developed and will be presented in the following pages. Firstly, we will present a new noise filter which is used to reduce noise on SEM images, followed by an efficient topography identifier, and finally we will describe the use of a topological skeleton as a measurement tool that can extend CD measurements on all kinds of patterns.

Atomically-thick two-dimensional crystals: electronic structure regulation and energy device construction.

PubMed

Sun, Yongfu; Gao, Shan; Xie, Yi

2014-01-21

Atomically-thick two-dimensional crystals can provide promising opportunities to satisfy people's requirement of next-generation flexible and transparent nanodevices. However, the characterization of these low-dimensional structures and the understanding of their clear structure-property relationship encounter many great difficulties, owing to the lack of long-range order in the third dimensionality. In this review, we survey the recent progress in fine structure characterization by X-ray absorption fine structure spectroscopy and also overview electronic structure modulation by density-functional calculations in the ultrathin two-dimensional crystals. In addition, we highlight their structure-property relationship, transparent and flexible device construction as well as wide applications in photoelectrochemical water splitting, photodetectors, thermoelectric conversion, touchless moisture sensing, supercapacitors and lithium ion batteries. Finally, we outline the major challenges and opportunities that face the atomically-thick two-dimensional crystals. It is anticipated that the present review will deepen people's understanding of this field and hence contribute to guide the future design of high-efficiency energy-related devices.

Lattice Truss Structural Response Using Energy Methods

NASA Technical Reports Server (NTRS)

Kenner, Winfred Scottson

1996-01-01

A deterministic methodology is presented for developing closed-form deflection equations for two-dimensional and three-dimensional lattice structures. Four types of lattice structures are studied: beams, plates, shells and soft lattices. Castigliano's second theorem, which entails the total strain energy of a structure, is utilized to generate highly accurate results. Derived deflection equations provide new insight into the bending and shear behavior of the four types of lattices, in contrast to classic solutions of similar structures. Lattice derivations utilizing kinetic energy are also presented, and used to examine the free vibration response of simple lattice structures. Derivations utilizing finite element theory for unique lattice behavior are also presented and validated using the finite element analysis code EAL.

Selective separation of fluorinated compounds from complex organic mixtures by pyrolysis-comprehensive two-dimensional gas chromatography coupled to high-resolution time-of-flight mass spectrometry.

PubMed

Nakajima, Yoji; Arinami, Yuko; Yamamoto, Kiyoshi

2014-12-29

The usefulness of comprehensive two-dimensional gas chromatography (GC×GC) was demonstrated for the selective separation of fluorinated compounds from organic mixtures, such as kerosene/perfluorokerosene mixtures, pyrolysis products derived from polyethylene/ethylene-tetrafluoroethylene alternating copolymer mixture and poly[2-(perfluorohexyl)ethyl acrylate]. Perfluorocarbons were completely separated from hydrocarbons in the two-dimensional chromatogram. Fluorohydrocarbons in the pyrolysis products of polyethylene/ethylene-tetrafluoroethylene alternating copolymer mixture were selectively isolated from their hydrocarbon counterparts and regularly arranged according to their chain length and fluorine content in the two-dimensional chromatogram. A reliable structural analysis of the fluorohydrocarbons was achieved by combining effective GC×GC positional information with accurate mass spectral data obtained by high-resolution time-of-flight mass spectrometry (HRTOF-MS). 2-(Perfluorohexyl)ethyl acrylate monomer, dimer, and trimer as well as 2-(perfluorohexyl)ethyl alcohol in poly[2-(perfluorohexyl)ethyl acrylate] pyrolysis products were detected in the bottommost part of the two-dimensional chromatogram with separation from hydrocarbons possessing terminal structure information about the polymer, such as α-methylstyrene. Pyrolysis-GC×GC/HRTOF-MS appeared particularly suitable for the characterization of fluorinated polymer microstructures, such as monomer sequences and terminal groups. Copyright © 2014 Elsevier B.V. All rights reserved.

Analytical Methodology for Predicting the Onset of Widespread Fatigue Damage in Fuselage Structure

NASA Technical Reports Server (NTRS)

Harris, Charles E.; Newman, James C., Jr.; Piascik, Robert S.; Starnes, James H., Jr.

1996-01-01

NASA has developed a comprehensive analytical methodology for predicting the onset of widespread fatigue damage in fuselage structure. The determination of the number of flights and operational hours of aircraft service life that are related to the onset of widespread fatigue damage includes analyses for crack initiation, fatigue crack growth, and residual strength. Therefore, the computational capability required to predict analytically the onset of widespread fatigue damage must be able to represent a wide range of crack sizes from the material (microscale) level to the global structural-scale level. NASA studies indicate that the fatigue crack behavior in aircraft structure can be represented conveniently by the following three analysis scales: small three-dimensional cracks at the microscale level, through-the-thickness two-dimensional cracks at the local structural level, and long cracks at the global structural level. The computational requirements for each of these three analysis scales are described in this paper.

On some structure-turbulence interaction problems

NASA Technical Reports Server (NTRS)

Maekawa, S.; Lin, Y. K.

1976-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Vfold: a web server for RNA structure and folding thermodynamics prediction.

PubMed

Xu, Xiaojun; Zhao, Peinan; Chen, Shi-Jie

2014-01-01

The ever increasing discovery of non-coding RNAs leads to unprecedented demand for the accurate modeling of RNA folding, including the predictions of two-dimensional (base pair) and three-dimensional all-atom structures and folding stabilities. Accurate modeling of RNA structure and stability has far-reaching impact on our understanding of RNA functions in human health and our ability to design RNA-based therapeutic strategies. The Vfold server offers a web interface to predict (a) RNA two-dimensional structure from the nucleotide sequence, (b) three-dimensional structure from the two-dimensional structure and the sequence, and (c) folding thermodynamics (heat capacity melting curve) from the sequence. To predict the two-dimensional structure (base pairs), the server generates an ensemble of structures, including loop structures with the different intra-loop mismatches, and evaluates the free energies using the experimental parameters for the base stacks and the loop entropy parameters given by a coarse-grained RNA folding model (the Vfold model) for the loops. To predict the three-dimensional structure, the server assembles the motif scaffolds using structure templates extracted from the known PDB structures and refines the structure using all-atom energy minimization. The Vfold-based web server provides a user friendly tool for the prediction of RNA structure and stability. The web server and the source codes are freely accessible for public use at "http://rna.physics.missouri.edu".

Design and analysis of photonic crystal micro-cavity based optical sensor platform

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

Goyal, Amit Kumar, E-mail: amitgoyal.ceeri@gmail.com; Dutta, Hemant Sankar, E-mail: hemantdutta97@gmail.com; Pal, Suchandan, E-mail: spal@ceeri.ernet.in

2016-04-13

In this paper, the design of a two-dimensional photonic crystal micro-cavity based integrated-optic sensor platform is proposed. The behaviour of designed cavity is analyzed using two-dimensional Finite Difference Time Domain (FDTD) method. The structure is designed by deliberately inserting some defects in a photonic crystal waveguide structure. Proposed structure shows a quality factor (Q) of about 1e5 and the average sensitivity of 500nm/RIU in the wavelength range of 1450 – 1580 nm. Sensing technique is based on the detection of shift in upper-edge cut-off wavelength for a reference signal strength of –10 dB in accordance with the change in refractive index ofmore » analyte.« less

Ring structure of a neutral gas cloud studied in a one-dimensional expansion into space

NASA Technical Reports Server (NTRS)

Davidson, R. E.

1972-01-01

A one dimensional treatment of the expansion of a gas cloud of uncharged particles into vacuum is discussed. It is determined that the whole cloud does not change from continuum to free molecular flow at the same time. Some regions of the cloud make the transition sooner than others. An explanation of the ring structure observed during barium cloud experiments is presented using this conclusion. An analysis of the velocity distributions for the two kinds of flow yields a velocity distribution for the whole cloud that exhibits ring structure.

2D Automatic body-fitted structured mesh generation using advancing extraction method

USDA-ARS?s Scientific Manuscript database

This paper presents an automatic mesh generation algorithm for body-fitted structured meshes in Computational Fluids Dynamics (CFD) analysis using the Advancing Extraction Method (AEM). The method is applicable to two-dimensional domains with complex geometries, which have the hierarchical tree-like...

2D automatic body-fitted structured mesh generation using advancing extraction method

USDA-ARS?s Scientific Manuscript database

This paper presents an automatic mesh generation algorithm for body-fitted structured meshes in Computational Fluids Dynamics (CFD) analysis using the Advancing Extraction Method (AEM). The method is applicable to two-dimensional domains with complex geometries, which have the hierarchical tree-like...

Transient Thermal Testing and Analysis of a Thermally Insulating Structural Sandwich Panel

NASA Technical Reports Server (NTRS)

Blosser, Max L.; Daryabeigi, Kamran; Bird, Richard K.; Knutson, Jeffrey R.

2015-01-01

A core configuration was devised for a thermally insulating structural sandwich panel. Two titanium prototype panels were constructed to illustrate the proposed sandwich panel geometry. The core of one of the titanium panels was filled with Saffil(trademark) alumina fibrous insulation and the panel was tested in a series of transient thermal tests. Finite element analysis was used to predict the thermal response of the panel using one- and two-dimensional models. Excellent agreement was obtained between predicted and measured temperature histories.

Thermal Modeling and Analysis of a Cryogenic Tank Design Exposed to Extreme Heating Profiles

NASA Technical Reports Server (NTRS)

Stephens, Craig A.; Hanna, Gregory J.

1991-01-01

A cryogenic test article, the Generic Research Cryogenic Tank, was designed to qualitatively simulate the thermal response of transatmospheric vehicle fuel tanks exposed to the environment of hypersonic flight. One-dimensional and two-dimensional finite-difference thermal models were developed to simulate the thermal response and assist in the design of the Generic Research Cryogenic Tank. The one-dimensional thermal analysis determined the required insulation thickness to meet the thermal design criteria and located the purge jacket to eliminate the liquefaction of air. The two-dimensional thermal analysis predicted the temperature gradients developed within the pressure-vessel wall, estimated the cryogen boiloff, and showed the effects the ullage condition has on pressure-vessel temperatures. The degree of ullage mixing, location of the applied high-temperature profile, and the purge gas influence on insulation thermal conductivity had significant effects on the thermal behavior of the Generic Research Cryogenic Tank. In addition to analysis results, a description of the Generic Research Cryogenic Tank and the role it will play in future thermal structures and transatmospheric vehicle research at the NASA Dryden Flight Research Facility is presented.

High Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

NASA Technical Reports Server (NTRS)

Felippa, C. A.; Farhat, C.; Lanteri, S.; Maman, N.; Piperno, S.; Gumaste, U.

1994-01-01

In order to predict the dynamic response of a flexible structure in a fluid flow, the equations of motion of the structure and the fluid must be solved simultaneously. In this paper, we present several partitioned procedures for time-integrating this focus coupled problem and discuss their merits in terms of accuracy, stability, heterogeneous computing, I/O transfers, subcycling, and parallel processing. All theoretical results are derived for a one-dimensional piston model problem with a compressible flow, because the complete three-dimensional aeroelastic problem is difficult to analyze mathematically. However, the insight gained from the analysis of the coupled piston problem and the conclusions drawn from its numerical investigation are confirmed with the numerical simulation of the two-dimensional transient aeroelastic response of a flexible panel in a transonic nonlinear Euler flow regime.

Resolution extension by image summing in serial femtosecond crystallography of two-dimensional membrane-protein crystals

DOE PAGES

Casadei, Cecilia M.; Tsai, Ching-Ju; Barty, Anton; ...

2018-01-01

Previous proof-of-concept measurements on single-layer two-dimensional membrane-protein crystals performed at X-ray free-electron lasers (FELs) have demonstrated that the collection of meaningful diffraction patterns, which is not possible at synchrotrons because of radiation-damage issues, is feasible. Here, the results obtained from the analysis of a thousand single-shot, room-temperature X-ray FEL diffraction images from two-dimensional crystals of a bacteriorhodopsin mutant are reported in detail. The high redundancy in the measurements boosts the intensity signal-to-noise ratio, so that the values of the diffracted intensities can be reliably determined down to the detector-edge resolution of 4 Å. The results show that two-dimensional serial crystallography atmore » X-ray FELs is a suitable method to study membrane proteins to near-atomic length scales at ambient temperature. The method presented here can be extended to pump–probe studies of optically triggered structural changes on submillisecond timescales in two-dimensional crystals, which allow functionally relevant large-scale motions that may be quenched in three-dimensional crystals.« less

Resolution extension by image summing in serial femtosecond crystallography of two-dimensional membrane-protein crystals

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

Casadei, Cecilia M.; Tsai, Ching-Ju; Barty, Anton

Previous proof-of-concept measurements on single-layer two-dimensional membrane-protein crystals performed at X-ray free-electron lasers (FELs) have demonstrated that the collection of meaningful diffraction patterns, which is not possible at synchrotrons because of radiation-damage issues, is feasible. Here, the results obtained from the analysis of a thousand single-shot, room-temperature X-ray FEL diffraction images from two-dimensional crystals of a bacteriorhodopsin mutant are reported in detail. The high redundancy in the measurements boosts the intensity signal-to-noise ratio, so that the values of the diffracted intensities can be reliably determined down to the detector-edge resolution of 4 Å. The results show that two-dimensional serial crystallography atmore » X-ray FELs is a suitable method to study membrane proteins to near-atomic length scales at ambient temperature. The method presented here can be extended to pump–probe studies of optically triggered structural changes on submillisecond timescales in two-dimensional crystals, which allow functionally relevant large-scale motions that may be quenched in three-dimensional crystals.« less

Clustering and Dimensionality Reduction to Discover Interesting Patterns in Binary Data

NASA Astrophysics Data System (ADS)

Palumbo, Francesco; D'Enza, Alfonso Iodice

The attention towards binary data coding increased consistently in the last decade due to several reasons. The analysis of binary data characterizes several fields of application, such as market basket analysis, DNA microarray data, image mining, text mining and web-clickstream mining. The paper illustrates two different approaches exploiting a profitable combination of clustering and dimensionality reduction for the identification of non-trivial association structures in binary data. An application in the Association Rules framework supports the theory with the empirical evidence.

Nonlinear transient analysis via energy minimization

NASA Technical Reports Server (NTRS)

Kamat, M. P.; Knight, N. F., Jr.

1978-01-01

The formulation basis for nonlinear transient analysis of finite element models of structures using energy minimization is provided. Geometric and material nonlinearities are included. The development is restricted to simple one and two dimensional finite elements which are regarded as being the basic elements for modeling full aircraft-like structures under crash conditions. The results indicate the effectiveness of the technique as a viable tool for this purpose.

Structure of pectic polysaccharides from sunflower salts-soluble fraction

USDA-ARS?s Scientific Manuscript database

The manuscript discusses the structural features of pectin polysaccharides extracted from seedless sunflower head residues. The analysis using 1H, 13C and two-dimensional gHSQC NMR showed various numbers of methyl and hydroxyl groups attached to the anomeric carbons in the pectin backbone at differe...

Four new alkaloids from Consolida glandulosa.

PubMed

Ruiz-Mesía, Lastenia; Madinaveitia, Alberto; Reina, Matías; Rodriguez, Matías L; De La Fuente, Gabriel; Ruiz-Mesía, Wilfredo

2002-04-01

The structures of four new hetisine-type diterpenoids, 9-deoxyglanduline (1), glandulosine (2), 11,13-O-diacetylglanduline (3), and 9-O-acetylglanduline (4), isolated from Consolida glandulosa, were determined by two-dimensional NMR techniques. All the structures of these compounds were substantiated by a single-crystal X-ray analysis performed on compound 3.

Three-Dimensional Anatomic Evaluation of the Anterior Cruciate Ligament for Planning Reconstruction

PubMed Central

Hoshino, Yuichi; Kim, Donghwi; Fu, Freddie H.

2012-01-01

Anatomic study related to the anterior cruciate ligament (ACL) reconstruction surgery has been developed in accordance with the progress of imaging technology. Advances in imaging techniques, especially the move from two-dimensional (2D) to three-dimensional (3D) image analysis, substantially contribute to anatomic understanding and its application to advanced ACL reconstruction surgery. This paper introduces previous research about image analysis of the ACL anatomy and its application to ACL reconstruction surgery. Crucial bony landmarks for the accurate placement of the ACL graft can be identified by 3D imaging technique. Additionally, 3D-CT analysis of the ACL insertion site anatomy provides better and more consistent evaluation than conventional “clock-face” reference and roentgenologic quadrant method. Since the human anatomy has a complex three-dimensional structure, further anatomic research using three-dimensional imaging analysis and its clinical application by navigation system or other technologies is warranted for the improvement of the ACL reconstruction. PMID:22567310

A Kronecker product splitting preconditioner for two-dimensional space-fractional diffusion equations

NASA Astrophysics Data System (ADS)

Chen, Hao; Lv, Wen; Zhang, Tongtong

2018-05-01

We study preconditioned iterative methods for the linear system arising in the numerical discretization of a two-dimensional space-fractional diffusion equation. Our approach is based on a formulation of the discrete problem that is shown to be the sum of two Kronecker products. By making use of an alternating Kronecker product splitting iteration technique we establish a class of fixed-point iteration methods. Theoretical analysis shows that the new method converges to the unique solution of the linear system. Moreover, the optimal choice of the involved iteration parameters and the corresponding asymptotic convergence rate are computed exactly when the eigenvalues of the system matrix are all real. The basic iteration is accelerated by a Krylov subspace method like GMRES. The corresponding preconditioner is in a form of a Kronecker product structure and requires at each iteration the solution of a set of discrete one-dimensional fractional diffusion equations. We use structure preserving approximations to the discrete one-dimensional fractional diffusion operators in the action of the preconditioning matrix. Numerical examples are presented to illustrate the effectiveness of this approach.

Lagrangian coherent structure analysis in the three-dimensional wake of a bio-inspired trapezoidal pitching panel

NASA Astrophysics Data System (ADS)

Kumar, Rajeev; King, Justin; Green, Melissa

2017-11-01

Three-dimensional Lagrangian analysis using the finite-time Lyapunov exponent (FTLE) field has been carried out on experimentally captured wake downstream of an oscillating trapezoidal panel. The trapezoidal geometry of the panel served as a simple model of a fish caudal fin. Three-dimensional FTLE isosurface appears as a shell wrapped around the wake vortex structures. A slice through the isosurfaces results in the familiar two-dimensional FTLE ridges. The attracting ridges (nFTLE) and the repelling ridges (pFTLE) are near-material lines and their intersections are analogous to topological saddle points in the flow field. A vortex-ring-based wake structure induces a streamwise momentum jet, evolution of which appears to be related to the timing of saddle point generation and behavior at the trailing edge. The time of release of these saddles at the trailing edge inside a pitching period appears to coincide with thrust extrema in similar experimental and numerical studies on foils and fins published in the literature. The merger of a pair of saddles from two consecutively shed vortices at a downstream location coincides with the occurrence of wake breakdown and precedes the formation of interconnected vortex loops and beginning of momentum-deficit zone in the time-averaged sense. This work was supported by the Office of Naval Research under ONR Award No. N00014-14-1-0418.

Development of Design Analysis Methods for C/SiC Composite Structures

NASA Technical Reports Server (NTRS)

Sullivan, Roy M.; Mital, Subodh K.; Murthy, Pappu L. N.; Palko, Joseph L.; Cueno, Jacques C.; Koenig, John R.

2006-01-01

The stress-strain behavior at room temperature and at 1100 C (2000 F) was measured for two carbon-fiber-reinforced silicon carbide (C/SiC) composite materials: a two-dimensional plain-weave quasi-isotropic laminate and a three-dimensional angle-interlock woven composite. Micromechanics-based material models were developed for predicting the response properties of these two materials. The micromechanics based material models were calibrated by correlating the predicted material property values with the measured values. Four-point beam bending sub-element specimens were fabricated with these two fiber architectures and four-point bending tests were performed at room temperature and at 1100 C. Displacements and strains were measured at various locations along the beam and recorded as a function of load magnitude. The calibrated material models were used in concert with a nonlinear finite element solution to simulate the structural response of these two materials in the four-point beam bending tests. The structural response predicted by the nonlinear analysis method compares favorably with the measured response for both materials and for both test temperatures. Results show that the material models scale up fairly well from coupon to subcomponent level.

NASTRAN analysis for the Airmass Sunburst model 'C' Ultralight Aircraft

NASA Technical Reports Server (NTRS)

Verbestel, John; Smith, Howard W.

1993-01-01

The purpose of this project was to create a three dimensional NASTRAN model of the Airmass Sunburst Ultralight comparable to one made for finite element analysis. A two dimensional sample problem will be calculated by hand and by NASTRAN to make sure that NASTRAN finds similar results. A three dimensional model, similar to the one analyzed by the finite element program, will be run on NASTRAN. A comparison will be done between the NASTRAN results and the finite element program results. This study will deal mainly with the aerodynamic loads on the wing and surrounding support structure at an attack angle of 10 degrees.

Complex structures from patterned cell sheets

PubMed Central

Misra, M.; Audoly, B.; Shvartsman, S. Y.

2017-01-01

The formation of three-dimensional structures from patterned epithelial sheets plays a key role in tissue morphogenesis. An important class of morphogenetic mechanisms relies on the spatio-temporal control of apical cell contractility, which can result in the localized bending of cell sheets and in-plane cell rearrangements. We have recently proposed a modified vertex model that can be used to systematically explore the connection between the two-dimensional patterns of cell properties and the emerging three-dimensional structures. Here we review the proposed modelling framework and illustrate it through the computational analysis of the vertex model that captures the salient features of the formation of the dorsal appendages during Drosophila oogenesis. This article is part of the themed issue ‘Systems morphodynamics: understanding the development of tissue hardware’. PMID:28348251

Quantization of an electromagnetic field in two-dimensional photonic structures based on the scattering matrix formalism ( S-quantization)

NASA Astrophysics Data System (ADS)

Ivanov, K. A.; Nikolaev, V. V.; Gubaydullin, A. R.; Kaliteevski, M. A.

2017-10-01

Based on the scattering matrix formalism, we have developed a method of quantization of an electromagnetic field in two-dimensional photonic nanostructures ( S-quantization in the two-dimensional case). In this method, the fields at the boundaries of the quantization box are expanded into a Fourier series and are related with each other by the scattering matrix of the system, which is the product of matrices describing the propagation of plane waves in empty regions of the quantization box and the scattering matrix of the photonic structure (or an arbitrary inhomogeneity). The quantization condition (similarly to the onedimensional case) is formulated as follows: the eigenvalues of the scattering matrix are equal to unity, which corresponds to the fact that the set of waves that are incident on the structure (components of the expansion into the Fourier series) is equal to the set of waves that travel away from the structure (outgoing waves). The coefficients of the matrix of scattering through the inhomogeneous structure have been calculated using the following procedure: the structure is divided into parallel layers such that the permittivity in each layer varies only along the axis that is perpendicular to the layers. Using the Fourier transform, the Maxwell equations have been written in the form of a matrix that relates the Fourier components of the electric field at the boundaries of neighboring layers. The product of these matrices is the transfer matrix in the basis of the Fourier components of the electric field. Represented in a block form, it is composed by matrices that contain the reflection and transmission coefficients for the Fourier components of the field, which, in turn, constitute the scattering matrix. The developed method considerably simplifies the calculation scheme for the analysis of the behavior of the electromagnetic field in structures with a two-dimensional inhomogeneity. In addition, this method makes it possible to obviate difficulties that arise in the analysis of the Purcell effect because of the divergence of the integral describing the effective volume of the mode in open systems.

Delamination Analysis of a Multilayered Two-Dimensional Functionally Graded Cantilever Beam

NASA Astrophysics Data System (ADS)

Rizov, V.

2017-11-01

Delamination fracture behaviour of a multilayered two-dimensional functionally graded cantilever beam is analyzed in terms of the strain energy release rate. The beam is made of an arbitrary number of layers. Perfect adhesion is assumed between layers. Each layer has individual thickness and material properties. Besides, the material is two-dimensional functionally graded in the cross-section of each layer. There is a delamination crack located arbitrary between layers. The beam is loaded by a bending moment applied at the free end of the lower crack arm. The upper crack arm is free of stresses. The solution to strain energy release rate derived is applied to investigate the influence of the crack location and the material gradient on the delamination fracture. The results obtained can be used to optimize the multilayered two-dimensional functionally graded beam structure with respect to the delamination fracture behaviour.

Combining 1D and 2D linear discriminant analysis for palmprint recognition

NASA Astrophysics Data System (ADS)

Zhang, Jian; Ji, Hongbing; Wang, Lei; Lin, Lin

2011-11-01

In this paper, a novel feature extraction method for palmprint recognition termed as Two-dimensional Combined Discriminant Analysis (2DCDA) is proposed. By connecting the adjacent rows of a image sequentially, the obtained new covariance matrices contain the useful information among local geometry structures in the image, which is eliminated by 2DLDA. In this way, 2DCDA combines LDA and 2DLDA for a promising recognition accuracy, but the number of coefficients of its projection matrix is lower than that of other two-dimensional methods. Experimental results on the CASIA palmprint database demonstrate the effectiveness of the proposed method.

Theoretical investigation of flutter of two-dimensional flat panels with one surface exposed to supersonic potential flow

NASA Technical Reports Server (NTRS)

Nelson, Herbert C; Cunningham, Herbert J

1956-01-01

A Rayleigh type analysis involving chosen modes of the panel as degrees of freedom is used to treat the flutter of a two-dimensional flat panel supported at its leading and trailing edges and subjected to a middle-plane tensile force. The panel has a supersonic stream passing over its upper surface and still air below. The aerodynamic forces due to the supersonic stream are obtained from the theory for linearized two-dimensional unsteady flow and the forces due to the still air are obtained from acoustical theory. In order to study the effect of increasing the number of modes in the analysis, two and then four modes are employed. The modes used are the first four natural modes of the panel in a vacuum with no tensile force acting. The analysis includes these variables: Mach number, structural damping, tensile force, density of the still air, and edge fixity (clamped and pinned). For certain combinations of these variables, stability boundaries are obtained which can be used to determine the panel thickness required to prevent flutter for any panel material and altitude.

NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy

ERIC Educational Resources Information Center

Alonso, David E.; Warren, Steven E.

2005-01-01

A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…

Propagation Diagnostic Simulations Using High-Resolution Equatorial Plasma Bubble Simulations

NASA Astrophysics Data System (ADS)

Rino, C. L.; Carrano, C. S.; Yokoyama, T.

2017-12-01

In a recent paper, under review, equatorial-plasma-bubble (EPB) simulations were used to conduct a comparative analysis of the EPB spectra characteristics with high-resolution in-situ measurements from the C/NOFS satellite. EPB realizations sampled in planes perpendicular to magnetic field lines provided well-defined EPB structure at altitudes penetrating both high and low-density regions. The average C/NOFS structure in highly disturbed regions showed nearly identical two-component inverse-power-law spectral characteristics as the measured EPB structure. This paper describes the results of PWE simulations using the same two-dimensional cross-field EPB realizations. New Irregularity Parameter Estimation (IPE) diagnostics, which are based on two-dimensional equivalent-phase-screen theory [A theory of scintillation for two-component power law irregularity spectra: Overview and numerical results, by Charles Carrano and Charles Rino, DOI: 10.1002/2015RS005903], have been successfully applied to extract two-component inverse-power-law parameters from measured intensity spectra. The EPB simulations [Low and Midlatitude Ionospheric Plasma DensityIrregularities and Their Effects on Geomagnetic Field, by Tatsuhiro Yokoyama and Claudia Stolle, DOI 10.1007/s11214-016-0295-7] have sufficient resolution to populate the structure scales (tens of km to hundreds of meters) that cause strong scintillation at GPS frequencies. The simulations provide an ideal geometry whereby the ramifications of varying structure along the propagation path can be investigated. It is well known path-integrated one-dimensional spectra increase the one-dimensional index by one. The relation requires decorrelation along the propagation path. Correlated structure would be interpreted as stochastic total-electron-content (TEC). The simulations are performed with unmodified structure. Because the EPB structure is confined to the central region of the sample planes, edge effects are minimized. Consequently, the propagated signal phase can be comparted to path-integrated phase for evaluating TEC extraction. Only the frequency dependence of phase scintillation distinguishes phase scintillation. The simulations allow scale-dependent exploration of remote-sensing diagnostics.

Analysis of Titan tholin pyrolysis products by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry.

PubMed

McGuigan, Megan; Waite, J Hunter; Imanaka, Hiroshi; Sacks, Richard D

2006-11-03

The reddish brown haze that surrounds Titan, Saturn's largest moon, is thought to consist of tholin-like organic aerosols. Tholins are complex materials of largely unknown structure. The very high peak capacity and structured chromatograms obtained from comprehensive two-dimensional GC (GC x GC) are attractive attributes for the characterization of tholin pyrolysis products. In this report, GC x GC with time-of-flight MS detection and a flash pyrolysis inlet is used to characterize tholin pyrolysis products. Identified pyrolysis products include low-molecular-weight nitriles, alkyl substituted pyrroles, linear and branched hydrocarbons, alkyl-substituted benzenes and PAH compounds. The pyrolysis of standards found in tholin pyrolysate showed that little alteration occurred and thus these structures are likely present in the tholin material.

Dimensionality reduction of collective motion by principal manifolds

NASA Astrophysics Data System (ADS)

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

2015-01-01

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

Mesh Deformation Based on Fully Stressed Design: The Method and Two-Dimensional Examples

NASA Technical Reports Server (NTRS)

Hsu, Su-Yuen; Chang, Chau-Lyan

2007-01-01

Mesh deformation in response to redefined boundary geometry is a frequently encountered task in shape optimization and analysis of fluid-structure interaction. We propose a simple and concise method for deforming meshes defined with three-node triangular or four-node tetrahedral elements. The mesh deformation method is suitable for large boundary movement. The approach requires two consecutive linear elastic finite-element analyses of an isotropic continuum using a prescribed displacement at the mesh boundaries. The first analysis is performed with homogeneous elastic property and the second with inhomogeneous elastic property. The fully stressed design is employed with a vanishing Poisson s ratio and a proposed form of equivalent strain (modified Tresca equivalent strain) to calculate, from the strain result of the first analysis, the element-specific Young s modulus for the second analysis. The theoretical aspect of the proposed method, its convenient numerical implementation using a typical linear elastic finite-element code in conjunction with very minor extra coding for data processing, and results for examples of large deformation of two-dimensional meshes are presented in this paper. KEY WORDS: Mesh deformation, shape optimization, fluid-structure interaction, fully stressed design, finite-element analysis, linear elasticity, strain failure, equivalent strain, Tresca failure criterion

Studies of supersonic, radiative plasma jet interaction with gases at the Prague Asterix Laser System facility

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

Nicolaie, Ph.; Stenz, C.; Tikhonchuk, V.

2008-08-15

The interaction of laser driven jets with gas puffs at various pressures is investigated experimentally and is analyzed by means of numerical tools. In the experiment, a combination of two complementary diagnostics allowed to characterize the main structures in the interaction zone. By changing the gas composition and its density, the plasma cooling time can be controlled and one can pass from a quasiadiabatic outflow to a strongly radiation cooling jet. This tuning yields hydrodynamic structures very similar to those seen in astrophysical objects; the bow shock propagating through the gas, the shocked materials, the contact discontinuity, and the Machmore » disk. From a dimensional analysis, a scaling is made between both systems and shows the study relevance for the jet velocity, the Mach number, the jet-gas density ratio, and the dissipative processes. The use of a two-dimensional radiation hydrodynamic code, confirms the previous analysis and provides detailed structure of the interaction zone and energy repartition between jet and surrounding gases.« less

Scaling Properties of Dimensionality Reduction for Neural Populations and Network Models

PubMed Central

Cowley, Benjamin R.; Doiron, Brent; Kohn, Adam

2016-01-01

Recent studies have applied dimensionality reduction methods to understand how the multi-dimensional structure of neural population activity gives rise to brain function. It is unclear, however, how the results obtained from dimensionality reduction generalize to recordings with larger numbers of neurons and trials or how these results relate to the underlying network structure. We address these questions by applying factor analysis to recordings in the visual cortex of non-human primates and to spiking network models that self-generate irregular activity through a balance of excitation and inhibition. We compared the scaling trends of two key outputs of dimensionality reduction—shared dimensionality and percent shared variance—with neuron and trial count. We found that the scaling properties of networks with non-clustered and clustered connectivity differed, and that the in vivo recordings were more consistent with the clustered network. Furthermore, recordings from tens of neurons were sufficient to identify the dominant modes of shared variability that generalize to larger portions of the network. These findings can help guide the interpretation of dimensionality reduction outputs in regimes of limited neuron and trial sampling and help relate these outputs to the underlying network structure. PMID:27926936

A threefold interpenetrated two-dimensional zinc(II) supramolecular architecture based on 3-nitrobenzoic acid and 4,4'-bipyridine.

PubMed

Tang, Long; Wang, Ji-Jiang; Fu, Feng; Wang, Sheng-Wen; Liu, Qi-Rui

2016-02-01

With regard to crystal engineering, building block or modular assembly methodologies have shown great success in the design and construction of metal-organic coordination polymers. The critical factor for the construction of coordination polymers is the rational choice of the organic building blocks and the metal centre. The reaction of Zn(OAc)2·2H2O (OAc is acetate) with 3-nitrobenzoic acid (HNBA) and 4,4'-bipyridine (4,4'-bipy) under hydrothermal conditions produced a two-dimensional zinc(II) supramolecular architecture, catena-poly[[bis(3-nitrobenzoato-κ(2)O,O')zinc(II)]-μ-4,4'-bipyridine-κ(2)N:N'], [Zn(C7H4NO4)2(C10H8N2)]n or [Zn(NBA)2(4,4'-bipy)]n, which was characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction analysis. The Zn(II) ions are connected by the 4,4'-bipy ligands to form a one-dimensional zigzag chain and the chains are decorated with anionic NBA ligands which interact further through aromatic π-π stacking interactions, expanding the structure into a threefold interpenetrated two-dimensional supramolecular architecture. The solid-state fluorescence analysis indicates a slight blue shift compared with pure 4,4'-bipyridine and HNBA.

Finite element analysis of a structural silicone shear bead used in skylight applications

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

Travis, H.S.; Carbary, L.D.

1998-12-31

Finite element analysis (FEA) was used to predict stresses and strains in a 6 mm x 6 mm structural silicone joint on the edge of an overhead piece of glass. The project was undertaken because of a marketplace report that this particular type of joint was showing field leaks after 5--10 years of service. FEA was used to show the stresses and strains in the nominal joint design under negative wind uplifts. After a three dimensional FEA model of the skylight system was completed, the deformations in the model were used to load a series of two dimensional FEA modelsmore » of the silicone bead. The two dimensional bead models were completed at repeated intervals down the span, providing a finer mesh for recovering stresses and strains. All stresses and strains in this model were shown to be well within the working range of the silicone sealant properties. It was concluded that the field leaks were not due to excessive strains and could possibly be due to installation issues, mechanical damage or improper joints resulting from construction tolerances.« less

Topological phonon modes in filamentary structures

NASA Astrophysics Data System (ADS)

Berg, Nina; Joel, Kira; Koolyk, Miriam; Prodan, Emil

2011-02-01

This work describes a class of topological phonon modes, that is, mechanical vibrations localized at the edges of special structures that are robust against the deformations of the structures. A class of topological phonons was recently found in two-dimensional structures similar to that of microtubules. The present work introduces another class of topological phonons, this time occurring in quasi-one-dimensional filamentary structures with inversion symmetry. The phenomenon is exemplified using a structure inspired from that of actin microfilaments, present in most live cells. The system discussed here is probably the simplest structure that supports topological phonon modes, a fact that allows detailed analysis in both time and frequency domains. We advance the hypothesis that the topological phonon modes are ubiquitous in the biological world and that living organisms make use of them during various processes.

APPLE - An aeroelastic analysis system for turbomachines and propfans

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Bakhle, Milind A.; Srivastava, R.; Mehmed, Oral

1992-01-01

This paper reviews aeroelastic analysis methods for propulsion elements (advanced propellers, compressors and turbines) being developed and used at NASA Lewis Research Center. These aeroelastic models include both structural and aerodynamic components. The structural models include the typical section model, the beam model with and without disk flexibility, and the finite element blade model with plate bending elements. The aerodynamic models are based on the solution of equations ranging from the two-dimensional linear potential equation for a cascade to the three-dimensional Euler equations for multi-blade configurations. Typical results are presented for each aeroelastic model. Suggestions for further research are indicated. All the available aeroelastic models and analysis methods are being incorporated into a unified computer program named APPLE (Aeroelasticity Program for Propulsion at LEwis).

Study of the structure of 3-D composites based on carbon nanotubes in bovine serum albumin matrix by X-ray microtomography

NASA Astrophysics Data System (ADS)

Ignatov, D.; Zhurbina, N.; Gerasimenko, A.

2017-01-01

3-D composites are widely used in tissue engineering. A comprehensive analysis by X-ray microtomography was conducted to study the structure of the 3-D composites. Comprehensive analysis of the structure of the 3-D composites consisted of scanning, image reconstruction of shadow projections, two-dimensional and three-dimensional visualization of the reconstructed images and quantitative analysis of the samples. Experimental samples of composites were formed by laser vaporization of the aqueous dispersion BSA and single-walled (SWCNTs) and multi-layer (MWCNTs) carbon nanotubes. The samples have a homogeneous structure over the entire volume, the percentage of porosity of 3-D composites based on SWCNTs and MWCNTs - 16.44%, 28.31%, respectively. An average pore diameter of 3-D composites based on SWCNTs and MWCNTs - 45 μm 93 μm. 3-D composites based on carbon nanotubes in bovine serum albumin matrix can be used in tissue engineering of bone and cartilage, providing cell proliferation and blood vessel sprouting.

From Two- to Three-Dimensional Structures of a Supertetrahedral Boran Using Density Functional Calculations.

PubMed

Getmanskii, Iliya V; Minyaev, Ruslan M; Steglenko, Dmitrii V; Koval, Vitaliy V; Zaitsev, Stanislav A; Minkin, Vladimir I

2017-08-14

With help of the DFT calculations and imposing of periodic boundary conditions the geometrical and electronic structures were investigated of two- and three-dimensional boron systems designed on the basis of graphane and diamond lattices in which carbons were replaced with boron tetrahedrons. The consequent studies of two- and three-layer systems resulted in the construction of a three-dimensional supertetrahedral borane crystal structure. The two-dimensional supertetrahedral borane structures with less than seven layers are dynamically unstable. At the same time the three-dimensional superborane systems were found to be dynamically stable. Lack of the forbidden electronic zone for the studied boron systems testifies that these structures can behave as good conductors. The low density of the supertetrahedral borane crystal structures (0.9 g cm -3 ) is close to that of water, which offers the perspective for their application as aerospace and cosmic materials. © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Characterizing the correlations between local phase fractions of gas-liquid two-phase flow with wire-mesh sensor.

PubMed

Tan, C; Liu, W L; Dong, F

2016-06-28

Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas-liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas-liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue 'Supersensing through industrial process tomography'. © 2016 The Author(s).

Characterizing the correlations between local phase fractions of gas–liquid two-phase flow with wire-mesh sensor

PubMed Central

Liu, W. L.; Dong, F.

2016-01-01

Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas–liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas–liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue ‘Supersensing through industrial process tomography’. PMID:27185959

Structural, energetic, and electronic trends in low-dimensional late-transition-metal systems

NASA Astrophysics Data System (ADS)

Hu, C. H.; Chizallet, C.; Toulhoat, H.; Raybaud, P.

2009-05-01

Using first-principles calculations, we present a comprehensive investigation of the structural trends of low dimensionality late 4d (from Tc to Ag) and 5d (from Re to Au) transition-metal systems including 13-atom clusters. Energetically favorable clusters not being reported previously are discovered by molecular-dynamics simulation based on the simulated annealing method. They allow a better agreement between experiments and theory for their magnetic properties. The structural periodic trend exhibits a nonmonotonic variation of the ratio of square to triangular facets for the two rows, with a maximum for Rh13 and Ir13 . By a comparative analysis of the relevant energetic and electronic properties performed on other metallic systems with reduced dimensionalities such as four-atom planar clusters, one-dimensional (1D) scales, double scales, 1D cylinders, monatomic films, two and seven layer slabs, we highlight that this periodic trend can be generalized. Hence, it appears that 1D-metallic nanocylinders or 1D-double nanoscales (with similar binding energies as TM13 ) also favor square facets for Rh and Ir. We finally propose an interpretation based on the evolution of the width of the valence band and of the Coulombic repulsions of the bonding basins.

Analysis of simple 2-D and 3-D metal structures subjected to fragment impact

NASA Technical Reports Server (NTRS)

Witmer, E. A.; Stagliano, T. R.; Spilker, R. L.; Rodal, J. J. A.

1977-01-01

Theoretical methods were developed for predicting the large-deflection elastic-plastic transient structural responses of metal containment or deflector (C/D) structures to cope with rotor burst fragment impact attack. For two-dimensional C/D structures both, finite element and finite difference analysis methods were employed to analyze structural response produced by either prescribed transient loads or fragment impact. For the latter category, two time-wise step-by-step analysis procedures were devised to predict the structural responses resulting from a succession of fragment impacts: the collision force method (CFM) which utilizes an approximate prediction of the force applied to the attacked structure during fragment impact, and the collision imparted velocity method (CIVM) in which the impact-induced velocity increment acquired by a region of the impacted structure near the impact point is computed. The merits and limitations of these approaches are discussed. For the analysis of 3-d responses of C/D structures, only the CIVM approach was investigated.

Stress Recovery and Error Estimation for Shell Structures

NASA Technical Reports Server (NTRS)

Yazdani, A. A.; Riggs, H. R.; Tessler, A.

2000-01-01

The Penalized Discrete Least-Squares (PDLS) stress recovery (smoothing) technique developed for two dimensional linear elliptic problems is adapted here to three-dimensional shell structures. The surfaces are restricted to those which have a 2-D parametric representation, or which can be built-up of such surfaces. The proposed strategy involves mapping the finite element results to the 2-D parametric space which describes the geometry, and smoothing is carried out in the parametric space using the PDLS-based Smoothing Element Analysis (SEA). Numerical results for two well-known shell problems are presented to illustrate the performance of SEA/PDLS for these problems. The recovered stresses are used in the Zienkiewicz-Zhu a posteriori error estimator. The estimated errors are used to demonstrate the performance of SEA-recovered stresses in automated adaptive mesh refinement of shell structures. The numerical results are encouraging. Further testing involving more complex, practical structures is necessary.

Computing Reliabilities Of Ceramic Components Subject To Fracture

NASA Technical Reports Server (NTRS)

Nemeth, N. N.; Gyekenyesi, J. P.; Manderscheid, J. M.

1992-01-01

CARES calculates fast-fracture reliability or failure probability of macroscopically isotropic ceramic components. Program uses results from commercial structural-analysis program (MSC/NASTRAN or ANSYS) to evaluate reliability of component in presence of inherent surface- and/or volume-type flaws. Computes measure of reliability by use of finite-element mathematical model applicable to multiple materials in sense model made function of statistical characterizations of many ceramic materials. Reliability analysis uses element stress, temperature, area, and volume outputs, obtained from two-dimensional shell and three-dimensional solid isoparametric or axisymmetric finite elements. Written in FORTRAN 77.

Three-dimensional structural analysis using interactive graphics

NASA Technical Reports Server (NTRS)

Biffle, J.; Sumlin, H. A.

1975-01-01

The application of computer interactive graphics to three-dimensional structural analysis was described, with emphasis on the following aspects: (1) structural analysis, and (2) generation and checking of input data and examination of the large volume of output data (stresses, displacements, velocities, accelerations). Handling of three-dimensional input processing with a special MESH3D computer program was explained. Similarly, a special code PLTZ may be used to perform all the needed tasks for output processing from a finite element code. Examples were illustrated.

Integrated multidisciplinary design optimization using discrete sensitivity analysis for geometrically complex aeroelastic configurations

NASA Astrophysics Data System (ADS)

Newman, James Charles, III

1997-10-01

The first two steps in the development of an integrated multidisciplinary design optimization procedure capable of analyzing the nonlinear fluid flow about geometrically complex aeroelastic configurations have been accomplished in the present work. For the first step, a three-dimensional unstructured grid approach to aerodynamic shape sensitivity analysis and design optimization has been developed. The advantage of unstructured grids, when compared with a structured-grid approach, is their inherent ability to discretize irregularly shaped domains with greater efficiency and less effort. Hence, this approach is ideally suited for geometrically complex configurations of practical interest. In this work the time-dependent, nonlinear Euler equations are solved using an upwind, cell-centered, finite-volume scheme. The discrete, linearized systems which result from this scheme are solved iteratively by a preconditioned conjugate-gradient-like algorithm known as GMRES for the two-dimensional cases and a Gauss-Seidel algorithm for the three-dimensional; at steady-state, similar procedures are used to solve the accompanying linear aerodynamic sensitivity equations in incremental iterative form. As shown, this particular form of the sensitivity equation makes large-scale gradient-based aerodynamic optimization possible by taking advantage of memory efficient methods to construct exact Jacobian matrix-vector products. Various surface parameterization techniques have been employed in the current study to control the shape of the design surface. Once this surface has been deformed, the interior volume of the unstructured grid is adapted by considering the mesh as a system of interconnected tension springs. Grid sensitivities are obtained by differentiating the surface parameterization and the grid adaptation algorithms with ADIFOR, an advanced automatic-differentiation software tool. To demonstrate the ability of this procedure to analyze and design complex configurations of practical interest, the sensitivity analysis and shape optimization has been performed for several two- and three-dimensional cases. In twodimensions, an initially symmetric NACA-0012 airfoil and a high-lift multielement airfoil were examined. For the three-dimensional configurations, an initially rectangular wing with uniform NACA-0012 cross-sections was optimized; in addition, a complete Boeing 747-200 aircraft was studied. Furthermore, the current study also examines the effect of inconsistency in the order of spatial accuracy between the nonlinear fluid and linear shape sensitivity equations. The second step was to develop a computationally efficient, high-fidelity, integrated static aeroelastic analysis procedure. To accomplish this, a structural analysis code was coupled with the aforementioned unstructured grid aerodynamic analysis solver. The use of an unstructured grid scheme for the aerodynamic analysis enhances the interaction compatibility with the wing structure. The structural analysis utilizes finite elements to model the wing so that accurate structural deflections may be obtained. In the current work, parameters have been introduced to control the interaction of the computational fluid dynamics and structural analyses; these control parameters permit extremely efficient static aeroelastic computations. To demonstrate and evaluate this procedure, static aeroelastic analysis results for a flexible wing in low subsonic, high subsonic (subcritical), transonic (supercritical), and supersonic flow conditions are presented.

Computational genetic neuroanatomy of the developing mouse brain: dimensionality reduction, visualization, and clustering.

PubMed

Ji, Shuiwang

2013-07-11

The structured organization of cells in the brain plays a key role in its functional efficiency. This delicate organization is the consequence of unique molecular identity of each cell gradually established by precise spatiotemporal gene expression control during development. Currently, studies on the molecular-structural association are beginning to reveal how the spatiotemporal gene expression patterns are related to cellular differentiation and structural development. In this article, we aim at a global, data-driven study of the relationship between gene expressions and neuroanatomy in the developing mouse brain. To enable visual explorations of the high-dimensional data, we map the in situ hybridization gene expression data to a two-dimensional space by preserving both the global and the local structures. Our results show that the developing brain anatomy is largely preserved in the reduced gene expression space. To provide a quantitative analysis, we cluster the reduced data into groups and measure the consistency with neuroanatomy at multiple levels. Our results show that the clusters in the low-dimensional space are more consistent with neuroanatomy than those in the original space. Gene expression patterns and developing brain anatomy are closely related. Dimensionality reduction and visual exploration facilitate the study of this relationship.

Analysis of structural dynamic data from Skylab. Volume 2: Skylab analytical and test model data

NASA Technical Reports Server (NTRS)

Demchak, L.; Harcrow, H.

1976-01-01

The orbital configuration test modal data, analytical test correlation modal data, and analytical flight configuration modal data are presented. Tables showing the generalized mass contributions (GMCs) for each of the thirty tests modes are given along with the two dimensional mode shape plots and tables of GMCs for the test correlated analytical modes. The two dimensional mode shape plots for the analytical modes and uncoupled and coupled modes of the orbital flight configuration at three development phases of the model are included.

Universal Profile of the Vortex Condensate in Two-Dimensional Turbulence

NASA Astrophysics Data System (ADS)

Laurie, Jason; Boffetta, Guido; Falkovich, Gregory; Kolokolov, Igor; Lebedev, Vladimir

2014-12-01

An inverse turbulent cascade in a restricted two-dimensional periodic domain creates a condensate—a pair of coherent system-size vortices. We perform extensive numerical simulations of this system and carry out theoretical analysis based on momentum and energy exchanges between the turbulence and the vortices. We show that the vortices have a universal internal structure independent of the type of small-scale dissipation, small-scale forcing, and boundary conditions. The theory predicts not only the vortex inner region profile, but also the amplitude, which both perfectly agree with the numerical data.

Structure of two-dimensional solitons in the context of a generalized Kadomtsev-Petviashvili equation

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

Abramyan, L.A.; Stepanyants, Yu.A.

1988-04-01

The structure of steady-state two-dimensional solutions of the soliton type with quadratic and cubic nonlinearities and power-law dispersion is analyzed numerically. It is shown that steadily coupled two-dimensional multisolitons can exist for positive dispersion in a broad class of equations, which generalize the Kadomtsev-Petviashvili equation.

Enhanced Spectral Anisotropies Near the Proton-Cyclotron Scale: Possible Two-Component Structure in Hall-FLR MHD Turbulence Simulations

NASA Technical Reports Server (NTRS)

Ghosh, Sanjoy; Goldstein, Melvyn L.

2011-01-01

Recent analysis of the magnetic correlation function of solar wind fluctuations at 1 AU suggests the existence of two-component structure near the proton-cyclotron scale. Here we use two-and-one-half dimensional and three-dimensional compressible MHD models to look for two-component structure adjacent the proton-cyclotron scale. Our MHD system incorporates both Hall and Finite Larmor Radius (FLR) terms. We find that strong spectral anisotropies appear adjacent the proton-cyclotron scales depending on selections of initial condition and plasma beta. These anisotropies are enhancements on top of related anisotropies that appear in standard MHD turbulence in the presence of a mean magnetic field and are suggestive of one turbulence component along the inertial scales and another component adjacent the dissipative scales. We compute the relative strengths of linear and nonlinear accelerations on the velocity and magnetic fields to gauge the relative influence of terms that drive the system with wave-like (linear) versus turbulent (nonlinear) dynamics.

One-dimensional, two-dimensional, and three-dimensional photonic crystals fabricated with interferometric techniques on ultrafine-grain silver halide emulsions

NASA Astrophysics Data System (ADS)

Ulibarrena, Manuel; Carretero, Luis; Acebal, Pablo; Madrigal, Roque; Blaya, Salvador; Fimia, Antonio

2004-09-01

Holographic techniques have been used for manufacturing multiple band one-dimensional, two-dimensional, and three-dimensional photonic crystals with different configurations, by multiplexing reflection and transmission setups on a single layer of holographic material. The recording material used for storage is an ultra fine grain silver halide emulsion, with an average grain size around 20 nm. The results are a set of photonic crystals with the one-dimensional, two-dimensional, and three-dimensional index modulation structure consisting of silver halide particles embedded in the gelatin layer of the emulsion. The characterisation of the fabricated photonic crystals by measuring their transmission band structures has been done and compared with theoretical calculations.

Application and Analysis on Graphene Materials

NASA Astrophysics Data System (ADS)

Li, Guogang; Qi, Jiaojiao

2018-01-01

Graphene is made up of carbon six-member ring cycle of two dimensional honeycomb lattice structure, it can warp as zero dimension of fullerenes, roll into a one-dimensional of carbon nanotubes or stack into a three dimensional graphite. Because of this kind of structure makes it not only have excellent electrical and mechanical properties, but also can be used as reinforced metal matrix composites, which can be used in catalyst carrier, energy storage and environmental protection. It has become a hot topic in recent years. Based on the existing research both at home and abroad, this paper focuses on the importance of the choice of graphene dispersion method to improve the mechanical properties of graphene materials, and summarizes the existing problems of graphene reinforced metal matrix composites.

Flow structure through pool-riffle sequences and a conceptual model for their sustainability in gravel-bed rivers

Treesearch

D. Caamano; P. Goodwin; J. M. Buffington

2010-01-01

Detailed field measurements and simulations of three-dimensional flow structure were used to develop a conceptual model to explain the sustainability of self-formed pool-riffle sequences in gravel-bed rivers. The analysis was conducted at the Red River Wildlife Management Area in Idaho, USA, and enabled characterization of the flow structure through two consecutive...

Finite element solution of torsion and other 2-D Poisson equations

NASA Technical Reports Server (NTRS)

Everstine, G. C.

1982-01-01

The NASTRAN structural analysis computer program may be used, without modification, to solve two dimensional Poisson equations such as arise in the classical Saint Venant torsion problem. The nonhomogeneous term (the right-hand side) in the Poisson equation can be handled conveniently by specifying a gravitational load in a "structural" analysis. The use of an analogy between the equations of elasticity and those of classical mathematical physics is summarized in detail.

Two-dimensional (2D) infrared correlation study of the structural characterization of a surface immobilized polypeptide film stimulated by pH

NASA Astrophysics Data System (ADS)

Chae, Boknam; Son, Seok Ho; Kwak, Young Jun; Jung, Young Mee; Lee, Seung Woo

2016-11-01

The pH-induced structural changes to surface immobilized poly (L-glutamic acid) (PLGA) films were examined by Fourier transform infrared (FTIR) spectroscopy and two-dimensional (2D) correlation analysis. Significant spectral changes were observed in the FTIR spectra of the surface immobilized PLGA film between pH 6 and 7. The 2D correlation spectra constructed from the pH-dependent FTIR spectra of the surface immobilized PLGA films revealed the spectral changes induced by the alternations of the protonation state of the carboxylic acid group in the PLGA side chain. When the pH was increased from 6 to 8, weak spectral changes in the secondary structure of the PLGA main chain were induced by deprotonation of the carboxylic acid side group.

A Review of Recent Aeroelastic Analysis Methods for Propulsion at NASA Lewis Research Center

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.; Bakhle, Milind A.; Srivastava, R.; Mehmed, Oral; Stefko, George L.

1993-01-01

This report reviews aeroelastic analyses for propulsion components (propfans, compressors and turbines) being developed and used at NASA LeRC. These aeroelastic analyses include both structural and aerodynamic models. The structural models include a typical section, a beam (with and without disk flexibility), and a finite-element blade model (with plate bending elements). The aerodynamic models are based on the solution of equations ranging from the two-dimensional linear potential equation to the three-dimensional Euler equations for multibladed configurations. Typical calculated results are presented for each aeroelastic model. Suggestions for further research are made. Many of the currently available aeroelastic models and analysis methods are being incorporated in a unified computer program, APPLE (Aeroelasticity Program for Propulsion at LEwis).

Electron Tomography: A Three-Dimensional Analytic Tool for Hard and Soft Materials Research.

PubMed

Ercius, Peter; Alaidi, Osama; Rames, Matthew J; Ren, Gang

2015-10-14

Three-dimensional (3D) structural analysis is essential to understand the relationship between the structure and function of an object. Many analytical techniques, such as X-ray diffraction, neutron spectroscopy, and electron microscopy imaging, are used to provide structural information. Transmission electron microscopy (TEM), one of the most popular analytic tools, has been widely used for structural analysis in both physical and biological sciences for many decades, in which 3D objects are projected into two-dimensional (2D) images. In many cases, 2D-projection images are insufficient to understand the relationship between the 3D structure and the function of nanoscale objects. Electron tomography (ET) is a technique that retrieves 3D structural information from a tilt series of 2D projections, and is gradually becoming a mature technology with sub-nanometer resolution. Distinct methods to overcome sample-based limitations have been separately developed in both physical and biological science, although they share some basic concepts of ET. This review discusses the common basis for 3D characterization, and specifies difficulties and solutions regarding both hard and soft materials research. It is hoped that novel solutions based on current state-of-the-art techniques for advanced applications in hybrid matter systems can be motivated. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron Tomography: A Three-Dimensional Analytic Tool for Hard and Soft Materials Research

PubMed Central

Alaidi, Osama; Rames, Matthew J.

2016-01-01

Three-dimensional (3D) structural analysis is essential to understand the relationship between the structure and function of an object. Many analytical techniques, such as X-ray diffraction, neutron spectroscopy, and electron microscopy imaging, are used to provide structural information. Transmission electron microscopy (TEM), one of the most popular analytic tools, has been widely used for structural analysis in both physical and biological sciences for many decades, in which 3D objects are projected into two-dimensional (2D) images. In many cases, 2D-projection images are insufficient to understand the relationship between the 3D structure and the function of nanoscale objects. Electron tomography (ET) is a technique that retrieves 3D structural information from a tilt series of 2D projections, and is gradually becoming a mature technology with sub-nanometer resolution. Distinct methods to overcome sample-based limitations have been separately developed in both physical and biological science, although they share some basic concepts of ET. This review discusses the common basis for 3D characterization, and specifies difficulties and solutions regarding both hard and soft materials research. It is hoped that novel solutions based on current state-of-the-art techniques for advanced applications in hybrid matter systems can be motivated. PMID:26087941

Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials.

PubMed

Ashton, Michael; Paul, Joshua; Sinnott, Susan B; Hennig, Richard G

2017-03-10

The Materials Project crystal structure database has been searched for materials possessing layered motifs in their crystal structures using a topology-scaling algorithm. The algorithm identifies and measures the sizes of bonded atomic clusters in a structure's unit cell, and determines their scaling with cell size. The search yielded 826 stable layered materials that are considered as candidates for the formation of two-dimensional monolayers via exfoliation. Density-functional theory was used to calculate the exfoliation energy of each material and 680 monolayers emerge with exfoliation energies below those of already-existent two-dimensional materials. The crystal structures of these two-dimensional materials provide templates for future theoretical searches of stable two-dimensional materials. The optimized structures and other calculated data for all 826 monolayers are provided at our database (https://materialsweb.org).

Origin of polymorphism of the two-dimensional group-IV monochalcogenides

NASA Astrophysics Data System (ADS)

Wu, Minghui; Wei, Su-Huai; Huang, Li

2017-11-01

Unlike other two-dimensional (2D) isovalent materials, the 2D group IV monochalcogenides, M X (M =Si , Ge, Sn, and Pb; X =S , Se, and Te), are found to be either in a black phosphorene-derived distorted NaCl-type (d -NaCl) structure or a recently predicted P m a 2 structure. Both M and X atoms in the d -NaCl structure are threefold coordinated, whereas M and X in the P m a 2 structure are fourfold and twofold coordinated, respectively. Using first-principles total energy and electronic structure calculations and a global structural search technique, we systematically investigated the mechanism underlying the polymorphism of the 2D group-IV monochalcogenides. Our analysis show that the relative stability of the two distinct crystallographic phases depends on the strength of the M -M covalent bond and the electronegativity difference between the constituent elements M and X . For small cations, the covalency plays more important role, whereas for large cations the Coulomb interaction becomes more dominant. Therefore, the Si X and Ge X compounds assume the P m a 2 structure, whereas the M X compounds with heavy cation elements (M =Sn and Pb) tend to adopt the d -NaCl structure.

An adaptive front tracking technique for three-dimensional transient flows

NASA Astrophysics Data System (ADS)

Galaktionov, O. S.; Anderson, P. D.; Peters, G. W. M.; van de Vosse, F. N.

2000-01-01

An adaptive technique, based on both surface stretching and surface curvature analysis for tracking strongly deforming fluid volumes in three-dimensional flows is presented. The efficiency and accuracy of the technique are demonstrated for two- and three-dimensional flow simulations. For the two-dimensional test example, the results are compared with results obtained using a different tracking approach based on the advection of a passive scalar. Although for both techniques roughly the same structures are found, the resolution for the front tracking technique is much higher. In the three-dimensional test example, a spherical blob is tracked in a chaotic mixing flow. For this problem, the accuracy of the adaptive tracking is demonstrated by the volume conservation for the advected blob. Adaptive front tracking is suitable for simulation of the initial stages of fluid mixing, where the interfacial area can grow exponentially with time. The efficiency of the algorithm significantly benefits from parallelization of the code. Copyright

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

NASA Astrophysics Data System (ADS)

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

2015-10-01

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

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

PubMed

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

2017-07-17

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

A two-dimensional vibration analysis of piezoelectrically actuated microbeam with nonideal boundary conditions

NASA Astrophysics Data System (ADS)

Rezaei, M. P.; Zamanian, M.

2017-01-01

In this paper, the influences of nonideal boundary conditions (due to flexibility) on the primary resonant behavior of a piezoelectrically actuated microbeam have been studied, for the first time. The structure has been assumed to treat as an Euler-Bernoulli beam, considering the effects of geometric nonlinearity. In this work, the general nonideal supports have been modeled as a the combination of horizontal, vertical and rotational springs, simultaneously. Allocating particular values to the stiffness of these springs provides the mathematical models for the majority of boundary conditions. This consideration leads to use a two-dimensional analysis of the multiple scales method instead of previous works' method (one-dimensional analysis). If one neglects the nonideal effects, then this paper would be an effort to solve the two-dimensional equations of motion without a need of a combination of these equations using the shortening or stretching effect. Letting the nonideal effects equal to zero and comparing their results with the results of previous approaches have been demonstrated the accuracy of the two-dimensional solutions. The results have been identified the unique effects of constraining and stiffening of boundaries in horizontal, vertical and rotational directions. This means that it is inaccurate to suppose the nonideality of supports only in one or two of these directions like as previous works. The findings are of vital importance as a better prediction of the frequency response for the nonideal supports. Furthermore, the main findings of this effort can help to choose appropriate boundary conditions for desired systems.

Research on electromechanical resonance of two-axis tracking system

NASA Astrophysics Data System (ADS)

Zhao, Zhi-ming; Xue, Ying-jie; Zeng, Shu-qin; Li, Zhi-guo

2017-02-01

The multi-axes synchronous system about the spatial two-axis turntable is the key equipment for semi-physical simulation and test in aerospace. In this paper, the whole structure design of the turntable is created by using Solidworks, then putting the three-dimensional solid model into ANSYS to build the finite element model. The software ANSYS is used to do the simulation about the static and dynamic analysis of two-axis turntable. Based on the modal analysis, we can forecast the inherent frequencies and the mode of vibration during the launch conditions which is very important to the design and safety of the structure.

A combinatorial code for pattern formation in Drosophila oogenesis.

PubMed

Yakoby, Nir; Bristow, Christopher A; Gong, Danielle; Schafer, Xenia; Lembong, Jessica; Zartman, Jeremiah J; Halfon, Marc S; Schüpbach, Trudi; Shvartsman, Stanislav Y

2008-11-01

Two-dimensional patterning of the follicular epithelium in Drosophila oogenesis is required for the formation of three-dimensional eggshell structures. Our analysis of a large number of published gene expression patterns in the follicle cells suggests that they follow a simple combinatorial code based on six spatial building blocks and the operations of union, difference, intersection, and addition. The building blocks are related to the distribution of inductive signals, provided by the highly conserved epidermal growth factor receptor and bone morphogenetic protein signaling pathways. We demonstrate the validity of the code by testing it against a set of patterns obtained in a large-scale transcriptional profiling experiment. Using the proposed code, we distinguish 36 distinct patterns for 81 genes expressed in the follicular epithelium and characterize their joint dynamics over four stages of oogenesis. The proposed combinatorial framework allows systematic analysis of the diversity and dynamics of two-dimensional transcriptional patterns and guides future studies of gene regulation.

Posttest analysis of the 1:6-scale reinforced concrete containment

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

Pfeiffer, P.A.; Kennedy, J.M.; Marchertas, A.H.

A prediction of the response of the Sandia National Laboratories 1:6- scale reinforced concrete containment model test was made by Argonne National Laboratory. ANL along with nine other organizations performed a detailed nonlinear response analysis of the 1:6-scale model containment subjected to overpressurization in the fall of 1986. The two-dimensional code TEMP-STRESS and the three-dimensional NEPTUNE code were utilized (1) to predict the global response of the structure, (2) to identify global failure sites and the corresponding failure pressures and (3) to identify some local failure sites and pressure levels. A series of axisymmetric models was studied with the two-dimensionalmore » computer program TEMP-STRESS. The comparison of these pretest computations with test data from the containment model has provided a test for the capability of the respective finite element codes to predict global failure modes, and hence serves as a validation of these codes. Only the two-dimensional analyses will be discussed in this paper. 3 refs., 10 figs.« less

Adiabatic invariant analysis of dark and dark-bright soliton stripes in two-dimensional Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Kevrekidis, P. G.; Wang, Wenlong; Carretero-González, R.; Frantzeskakis, D. J.

2018-06-01

In the present work, we develop an adiabatic invariant approach for the evolution of quasi-one-dimensional (stripe) solitons embedded in a two-dimensional Bose-Einstein condensate. The results of the theory are obtained both for the one-component case of dark soliton stripes, as well as for the considerably more involved case of the two-component dark-bright (alias "filled dark") soliton stripes. In both cases, analytical predictions regarding the stability and dynamics of these structures are obtained. One of our main findings is the determination of the instability modes of the waves as a function of the parameters of the system (such as the trap strength and the chemical potential). Our analytical predictions are favorably compared with results of direct numerical simulations.

Improvements of the two-dimensional FDTD method for the simulation of normal- and superconducting planar waveguides using time series analysis

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

Hofschen, S.; Wolff, I.

1996-08-01

Time-domain simulation results of two-dimensional (2-D) planar waveguide finite-difference time-domain (FDTD) analysis are normally analyzed using Fourier transform. The introduced method of time series analysis to extract propagation and attenuation constants reduces the desired computation time drastically. Additionally, a nonequidistant discretization together with an adequate excitation technique is used to reduce the number of spatial grid points. Therefore, it is possible to reduce the number of spatial grid points. Therefore, it is possible to simulate normal- and superconducting planar waveguide structures with very thin conductors and small dimensions, as they are used in MMIC technology. The simulation results are comparedmore » with measurements and show good agreement.« less

HOTCFGM-1D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Through-Thickness Functionally Graded Microstructures

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob

1998-01-01

The objective of this three-year project was to develop and deliver to NASA Lewis one-dimensional and two-dimensional higher-order theories, and related computer codes, for the analysis, optimization and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, blisk blades). To satisfy this objective, a quasi one-dimensional version of the higher-order theory, HOTCFGM-1D, and four computer codes based on this theory, for the analysis, design and optimization of cylindrical structural components functionally graded in the radial direction were developed. The theory is applicable to thin multi-phased composite shell/cylinders subjected to macroscopically axisymmetric thermomechanical and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial and circumferential directions, and arbitrarily distributed in the radial direction, thereby allowing functional grading of the internal reinforcement in this direction.

M553 sphere forming experiment: Pure nickel specimen evaluation

NASA Technical Reports Server (NTRS)

Johnson, P. C.; Peters, E. T.

1973-01-01

A region or cap of very fine two-dimensional surface growth structure was observed at the top of three of the six pure nickel flight specimens. Such two-dimensional surface growth structures have been observed both on the ground-based specimens and on other surface areas of the flight specimens. However, the fine structures observed on the three flight samples are at least an order of magnitude finer than those previously observed, and resemble similar localized, fine, two-dimensional surface structures observed in both ground and flight specimens for the nickel alloys. The two-dimensional growth areas consist primarily of fine equiaxed grains, specimen SL-2.6, fine dendrites, specimen SL-2.5, or a core of fine equiaxed grains surrounded by a ring of fine dendrites, specimen SL-1.9.

Using NASTRAN to solve symmetric structures with nonsymmetric loads

NASA Technical Reports Server (NTRS)

Butler, T. G.

1982-01-01

A method for computation of reflective dihedral symmetry in symmetrical structures under nonsymmetric loads is described. The method makes it possible to confine the analysis to a half, a quarter, or an octagonal segment. The symmetry of elastic deformation is discussed, and antisymmetrical deformation is distinguished from nonsymmetrical deformation. Modes of deformation considered are axial, bending, membrane, and torsional deformation. Examples of one and two dimensional elements are presented and extended to three dimensional elements. The method of setting up a problem within NASTRAN is discussed. The technique is applied to a thick structure having quarter symmetry which was modeled with polyhedra and subjected to five distinct loads having varying degrees of symmetry.

A semi-implicit level set method for multiphase flows and fluid-structure interaction problems

NASA Astrophysics Data System (ADS)

Cottet, Georges-Henri; Maitre, Emmanuel

2016-06-01

In this paper we present a novel semi-implicit time-discretization of the level set method introduced in [8] for fluid-structure interaction problems. The idea stems from a linear stability analysis derived on a simplified one-dimensional problem. The semi-implicit scheme relies on a simple filter operating as a pre-processing on the level set function. It applies to multiphase flows driven by surface tension as well as to fluid-structure interaction problems. The semi-implicit scheme avoids the stability constraints that explicit scheme need to satisfy and reduces significantly the computational cost. It is validated through comparisons with the original explicit scheme and refinement studies on two-dimensional benchmarks.

Orbital transfer vehicle concept definition and system analysis study, 1985. Volume 5: Work breakdown structure and dictionary

NASA Technical Reports Server (NTRS)

Nelson, James H.; Callan, Daniel R.

1985-01-01

To establish consistency and visibility within the Orbital Transfer Vehicle (OTV) program, a preliminary work breakdown structure (WBS) and dictionary were developed. The dictionary contains definitions of terms to be used in conjunction with the WBS so that a clear understanding of the content of the hardware, function, and cost elements may be established. The OTV WBS matrix is a two-dimensional structure which shows the interrelationship of these dimensions: the hardware elements dimension and the phase and function dimension. The dimension of time cannot be shown graphically, but must be considered. Each cost entry varies with time so that it is necessary to know these cost values by year for budget planning and approval as well as for establishing cost streams for discounting purposes in the economic analysis. While a multiple dimensional approach may at first appear complex, it actually provides benefits which outweigh any concern. This structural interrelationship provides the capability to view and analyze the OTV costs from a number of different financial and management aspects. Cost may be summed by hardware groupings, phases, or functions. The WBS may be used in a number of dimensional or single listing format applications.

Band structure analysis of leaky Bloch waves in 2D phononic crystal plates.

PubMed

Mazzotti, Matteo; Miniaci, Marco; Bartoli, Ivan

2017-02-01

A hybrid Finite Element-Plane Wave Expansion method is presented for the band structure analysis of phononic crystal plates with two dimensional lattice that are in contact with acoustic half-spaces. The method enables the computation of both real (propagative) and imaginary (attenuation) components of the Bloch wavenumber at any given frequency. Three numerical applications are presented: a benchmark dispersion analysis for an oil-loaded Titanium isotropic plate, the band structure analysis of a water-loaded Tungsten slab with square cylindrical cavities and a phononic crystal plate composed of Aurum cylinders embedded in an epoxy matrix. Copyright © 2016 Elsevier B.V. All rights reserved.

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

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

Moraes, Manoel; Diaz, Marcos

2009-12-15

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

Evolution of the three-dimensional collagen structure in vascular walls during deformation: an in situ mechanical testing under multiphoton microscopy observation.

PubMed

Nierenberger, Mathieu; Fargier, Guillaume; Ahzi, Saïd; Rémond, Yves

2015-08-01

The collagen fibers' three-dimensional architecture has a strong influence on the mechanical behavior of biological tissues. To accurately model this behavior, it is necessary to get some knowledge about the structure of the collagen network. In the present paper, we focus on the in situ characterization of the collagenous structure, which is present in porcine jugular vein walls. An observation of the vessel wall is first proposed in an unloaded configuration. The vein is then put into a mechanical tensile testing device. As the vein is stretched, three-dimensional images of its collagenous structure are acquired using multiphoton microscopy. Orientation analyses are provided for the multiple images recorded during the mechanical test. From these analyses, the reorientation of the two families of collagen fibers existing in the vein wall is quantified. We noticed that the reorientation of the fibers stops as the tissue stiffness starts decreasing, corresponding to the onset of damage. Besides, no relevant evolutions of the out of plane collagen orientations were observed. Due to the applied loading, our analysis also allowed for linking the stress relaxation within the tissue to its internal collagenous structure. Finally, this analysis constitutes the first mechanical test performed under a multiphoton microscope with a continuous three-dimensional observation of the tissue structure all along the test. It allows for a quantitative evaluation of microstructural parameters combined with a measure of the global mechanical behavior. Such data are useful for the development of structural mechanical models for living tissues.

Two-Dimensional Ordering of Solute Nanoclusters at a Close-Packed Stacking Fault: Modeling and Experimental Analysis

PubMed Central

Kimizuka, Hajime; Kurokawa, Shu; Yamaguchi, Akihiro; Sakai, Akira; Ogata, Shigenobu

2014-01-01

Predicting the equilibrium ordered structures at internal interfaces, especially in the case of nanometer-scale chemical heterogeneities, is an ongoing challenge in materials science. In this study, we established an ab-initio coarse-grained modeling technique for describing the phase-like behavior of a close-packed stacking-fault-type interface containing solute nanoclusters, which undergo a two-dimensional disorder-order transition, depending on the temperature and composition. Notably, this approach can predict the two-dimensional medium-range ordering in the nanocluster arrays realized in Mg-based alloys, in a manner consistent with scanning tunneling microscopy-based measurements. We predicted that the repulsively interacting solute-cluster system undergoes a continuous evolution into a highly ordered densely packed morphology while maintaining a high degree of six-fold orientational order, which is attributable mainly to an entropic effect. The uncovered interaction-dependent ordering properties may be useful for the design of nanostructured materials utilizing the self-organization of two-dimensional nanocluster arrays in the close-packed interfaces. PMID:25471232

A Procedure for Structural Weight Estimation of Single Stage to Orbit Launch Vehicles (Interim User's Manual)

NASA Technical Reports Server (NTRS)

Martinovic, Zoran N.; Cerro, Jeffrey A.

2002-01-01

This is an interim user's manual for current procedures used in the Vehicle Analysis Branch at NASA Langley Research Center, Hampton, Virginia, for launch vehicle structural subsystem weight estimation based on finite element modeling and structural analysis. The process is intended to complement traditional methods of conceptual and early preliminary structural design such as the application of empirical weight estimation or application of classical engineering design equations and criteria on one dimensional "line" models. Functions of two commercially available software codes are coupled together. Vehicle modeling and analysis are done using SDRC/I-DEAS, and structural sizing is performed with the Collier Research Corp. HyperSizer program.

Advances in structural and functional analysis of membrane proteins by electron crystallography

PubMed Central

Wisedchaisri, Goragot; Reichow, Steve L.; Gonen, Tamir

2011-01-01

Summary Electron crystallography is a powerful technique for the study of membrane protein structure and function in the lipid environment. When well-ordered two-dimensional crystals are obtained the structure of both protein and lipid can be determined and lipid-protein interactions analyzed. Protons and ionic charges can be visualized by electron crystallography and the protein of interest can be captured for structural analysis in a variety of physiologically distinct states. This review highlights the strengths of electron crystallography and the momentum that is building up in automation and the development of high throughput tools and methods for structural and functional analysis of membrane proteins by electron crystallography. PMID:22000511

Advances in structural and functional analysis of membrane proteins by electron crystallography.

PubMed

Wisedchaisri, Goragot; Reichow, Steve L; Gonen, Tamir

2011-10-12

Electron crystallography is a powerful technique for the study of membrane protein structure and function in the lipid environment. When well-ordered two-dimensional crystals are obtained the structure of both protein and lipid can be determined and lipid-protein interactions analyzed. Protons and ionic charges can be visualized by electron crystallography and the protein of interest can be captured for structural analysis in a variety of physiologically distinct states. This review highlights the strengths of electron crystallography and the momentum that is building up in automation and the development of high throughput tools and methods for structural and functional analysis of membrane proteins by electron crystallography. Copyright © 2011 Elsevier Ltd. All rights reserved.

Basic as well as detailed neurosonograms can be performed by offline analysis of three-dimensional fetal brain volumes.

PubMed

Bornstein, E; Monteagudo, A; Santos, R; Strock, I; Tsymbal, T; Lenchner, E; Timor-Tritsch, I E

2010-07-01

To evaluate the feasibility and the processing time of offline analysis of three-dimensional (3D) brain volumes to perform a basic, as well as a detailed, targeted, fetal neurosonogram. 3D fetal brain volumes were obtained in 103 consecutive healthy fetuses that underwent routine anatomical survey at 20-23 postmenstrual weeks. Transabdominal gray-scale and power Doppler volumes of the fetal brain were acquired by one of three experienced sonographers (an average of seven volumes per fetus). Acquisition was first attempted in the sagittal and coronal planes. When the fetal position did not enable easy and rapid access to these planes, axial acquisition at the level of the biparietal diameter was performed. Offline analysis of each volume was performed by two of the authors in a blinded manner. A systematic technique of 'volume manipulation' was used to identify a list of 25 brain dimensions/structures comprising a complete basic evaluation, intracranial biometry and a detailed targeted fetal neurosonogram. The feasibility and reproducibility of obtaining diagnostic-quality images of the different structures was evaluated, and processing times were recorded, by the two examiners. Diagnostic-quality visualization was feasible in all of the 25 structures, with an excellent visualization rate (85-100%) reported in 18 structures, a good visualization rate (69-97%) reported in five structures and a low visualization rate (38-54%) reported in two structures, by the two examiners. An average of 4.3 and 5.4 volumes were used to complete the examination by the two examiners, with a mean processing time of 7.2 and 8.8 minutes, respectively. The overall agreement rate for diagnostic visualization of the different brain structures between the two examiners was 89.9%, with a kappa coefficient of 0.5 (P < 0.001). In experienced hands, offline analysis of 3D brain volumes is a reproducible modality that can identify all structures necessary to complete both a basic and a detailed second-trimester fetal neurosonogram. Copyright 2010 ISUOG. Published by John Wiley & Sons, Ltd.

Structural hierarchy in molecular films of two class II hydrophobins.

PubMed

Paananen, Arja; Vuorimaa, Elina; Torkkeli, Mika; Penttilä, Merja; Kauranen, Martti; Ikkala, Olli; Lemmetyinen, Helge; Serimaa, Ritva; Linder, Markus B

2003-05-13

Hydrophobins are highly surface-active proteins that are specific to filamentous fungi. They function as coatings on various fungal structures, enable aerial growth of hyphae, and facilitate attachment to surfaces. Little is known about their structures and structure-function relationships. In this work we show highly organized surface layers of hydrophobins, representing the most detailed structural study of hydrophobin films so far. Langmuir-Blodgett films of class II hydrophobins HFBI and HFBII from Trichoderma reesei were prepared and analyzed by atomic force microscopy. The films showed highly ordered two-dimensional crystalline structures. By combining our recent results on small-angle X-ray scattering of hydrophobin solutions, we found that the unit cells in the films have dimensions similar to those of tetrameric aggregates found in solutions. Further analysis leads to a model in which the building blocks of the two-dimensional crystals are shape-persistent supramolecules consisting of four hydrophobin molecules. The results also indicate functional and structural differences between HFBI and HFBII that help to explain differences in their properties. The possibility that the highly organized surface assemblies of hydrophobins could allow a route for manufacturing functional surfaces is suggested.

Ab initio quantum mechanical calculation of the reaction probability for the Cl-+PH2Cl→ClPH2+Cl- reaction

NASA Astrophysics Data System (ADS)

Farahani, Pooria; Lundberg, Marcus; Karlsson, Hans O.

2013-11-01

The SN2 substitution reactions at phosphorus play a key role in organic and biological processes. Quantum molecular dynamics simulations have been performed to study the prototype reaction Cl-+PH2Cl→ClPH2+Cl-, using one and two-dimensional models. A potential energy surface, showing an energy well for a transition complex, was generated using ab initio electronic structure calculations. The one-dimensional model is essentially reflection free, whereas the more realistic two-dimensional model displays involved resonance structures in the reaction probability. The reaction rate is almost two orders of magnitude smaller for the two-dimensional compared to the one-dimensional model. Energetic errors in the potential energy surface is estimated to affect the rate by only a factor of two. This shows that for these types of reactions it is more important to increase the dimensionality of the modeling than to increase the accuracy of the electronic structure calculation.

Tracking Ionic Rearrangements and Interpreting Dynamic Volumetric Changes in Two-Dimensional Metal Carbide Supercapacitors: A Molecular Dynamics Simulation Study.

PubMed

Xu, Kui; Lin, Zifeng; Merlet, Céline; Taberna, Pierre-Louis; Miao, Ling; Jiang, Jianjun; Simon, Patrice

2017-12-06

We present a molecular dynamics simulation study achieved on two-dimensional (2D) Ti 3 C 2 T x MXenes in the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM] + [TFSI] - ) electrolyte. Our simulations reproduce the different patterns of volumetric change observed experimentally for both the negative and positive electrodes. The analysis of ionic fluxes and structure rearrangements in the 2D material provide an atomic scale insight into the charge and discharge processes in the layer pore and confirm the existence of two different charge-storage mechanisms at the negative and positive electrodes. The ionic number variation and the structure rearrangement contribute to the dynamic volumetric changes of both electrodes: negative electrode expansion and positive electrode contraction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Self-assembly of heterogeneous supramolecular structures with uniaxial anisotropy.

PubMed

Ruiz-Osés, M; Gonzalez-Lakunza, N; Silanes, I; Gourdon, A; Arnau, A; Ortega, J E

2006-12-28

Uniaxial anisotropy in two-dimensional self-assembled supramolecular structures is achieved by the coadsorption of two different linear molecules with complementary amine and imide functionalization. The two-dimensional monolayer is defined by a one-dimensional stack of binary chains, which can be forced to line up along steps in vicinal surfaces. The competing driving forces in the self-organization process are discussed in light of the structures observed during single molecule adsorption and coadsorption on flat and vicinal surfaces and the corresponding theoretical calculations.

Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders.

PubMed

Yun, Yifeng; Zou, Xiaodong; Hovmöller, Sven; Wan, Wei

2015-03-01

Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED) data collection, namely automated diffraction tomography (ADT) and rotation electron diffraction (RED), have been developed. Compared with X-ray diffraction (XRD) and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD) provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni-Se-O-Cl crystals, zeolites, germanates, metal-organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three-dimensional ED methods will become crucially important in the near future.

Exaggeration and suppression of iridescence: the evolution of two-dimensional butterfly structural colours

PubMed Central

Wickham, Shelley; Large, Maryanne C.J; Poladian, Leon; Jermiin, Lars S

2005-01-01

Many butterfly species possess ‘structural’ colour, where colour is due to optical microstructures found in the wing scales. A number of such structures have been identified in butterfly scales, including three variations on a simple multi-layer structure. In this study, we optically characterize examples of all three types of multi-layer structure, as found in 10 species. The optical mechanism of the suppression and exaggeration of the angle-dependent optical properties (iridescence) of these structures is described. In addition, we consider the phylogeny of the butterflies, and are thus able to relate the optical properties of the structures to their evolutionary development. By applying two different types of analysis, the mechanism of adaptation is addressed. A simple parsimony analysis, in which all evolutionary changes are given an equal weighting, suggests convergent evolution of one structure. A Dollo parsimony analysis, in which the evolutionary ‘cost’ of losing a structure is less than that of gaining it, implies that ‘latent’ structures can be reused. PMID:16849221

Constraint analysis of two-dimensional quadratic gravity from { BF} theory

NASA Astrophysics Data System (ADS)

Valcárcel, C. E.

2017-01-01

Quadratic gravity in two dimensions can be formulated as a background field ( BF) theory plus an interaction term which is polynomial in both, the gauge and background fields. This formulation is similar to the one given by Freidel and Starodubtsev to obtain MacDowell-Mansouri gravity in four dimensions. In this article we use the Dirac's Hamiltonian formalism to analyze the constraint structure of the two-dimensional Polynomial BF action. After we obtain the constraints of the theory, we proceed with the Batalin-Fradkin-Vilkovisky procedure to obtain the transition amplitude. We also compare our results with the ones obtained from generalized dilaton gravity.

Application of a transonic potential flow code to the static aeroelastic analysis of three-dimensional wings

NASA Technical Reports Server (NTRS)

Whitlow, W., Jr.; Bennett, R. M.

1982-01-01

Since the aerodynamic theory is nonlinear, the method requires the coupling of two iterative processes - an aerodynamic analysis and a structural analysis. A full potential analysis code, FLO22, is combined with a linear structural analysis to yield aerodynamic load distributions on and deflections of elastic wings. This method was used to analyze an aeroelastically-scaled wind tunnel model of a proposed executive-jet transport wing and an aeroelastic research wing. The results are compared with the corresponding rigid-wing analyses, and some effects of elasticity on the aerodynamic loading are noted.

The magnetotelluric phase tensor analysis of the Sembalun-Propok area, West Nusa Tenggara, Indonesia

NASA Astrophysics Data System (ADS)

Febriani, F.; Widarto, D. S.; Gaffar, E.; Nasution, A.; Grandis, H.

2017-04-01

The subsurface structure of the Sembalun-Propok area, NTB, Indonesia, has been investigated using magnetotelluric method (MT). To obtain the information of the dimensionality of the regional structure and determine the regional strike of the study area, the phase tensor analysis has been performed in this study. The results show that most of the skew angle values (β) are distributed within ± 5°. It indicates that the regional structure of the study area can be assumed as two dimensional. In addition, to determine the regional strike of the study area, we also calculated the major axes of the phase tensor. The result presents that the regional strike of the study area is about N330°E. According to the results of the phase tensor analysis, we rotated the impedance tensor to N330°E and performed 2-D inversion modeling. The result presents that the substructure model suits with the geological background of the study area.

Helical structures in vertically aligned dust particle chains in a complex plasma

NASA Astrophysics Data System (ADS)

Hyde, Truell W.; Kong, Jie; Matthews, Lorin S.

2013-05-01

Self-assembly of structures from vertically aligned, charged dust particle bundles within a glass box placed on the lower, powered electrode of a Gaseous Electronics Conference rf reference cell were produced and examined experimentally. Self-organized formation of one-dimensional vertical chains, two-dimensional zigzag structures, and three-dimensional helical structures of triangular, quadrangular, pentagonal, hexagonal, and heptagonal symmetries are shown to occur. System evolution is shown to progress from a one-dimensional chain structure, through a zigzag transition to a two-dimensional, spindlelike structure, and then to various three-dimensional, helical structures exhibiting multiple symmetries. Stable configurations are found to be dependent upon the system confinement, γ2=ω0h/ω0v2 (where ω0h,v are the horizontal and vertical dust resonance frequencies), the total number of particles within a bundle, and the rf power. For clusters having fixed numbers of particles, the rf power at which structural phase transitions occur is repeatable and exhibits no observable hysteresis. The critical conditions for these structural phase transitions as well as the basic symmetry exhibited by the one-, two-, and three-dimensional structures that subsequently develop are in good agreement with the theoretically predicted configurations of minimum energy determined employing molecular dynamics simulations for charged dust particles confined in a prolate, spheroidal potential as presented theoretically by Kamimura and Ishihara [Kamimura and Ishihara, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.85.016406 85, 016406 (2012)].

A comprehensive study on the influence of strength and stiffness eccentricities to the on-plan rotation of asymmetric structure

NASA Astrophysics Data System (ADS)

Rashidi, Azida; Majid, Taksiah A.; Fadzli, M. N.; Faisal, Ade; Noor, Suhaila M.

2017-10-01

All buildings are subjected to some degree of torsion which in turn changes the member torsional demands from that of translation only. Torsional effects on buildings subjected to earthquakes are not found directly in structural analysis unless full three-dimensional inelastic dynamic time history analysis is conducted. Since design is often conducted using two-dimensional analysis, these effects are not directly considered. There is currently an understanding on how different factors may influence torsion, however, the degree to which these factors influence torsion is relatively unknown. Slab rotation effect is considered a major response parameter to represent the severity of the torsional response of eccentric systems; hence, it is considered in this study. The centre of strength (CR) and centre of stiffness (CS) are the two main factors under considerations. A comprehensive analysis on eighty different CR and CS conditions are applied to a three-dimensional, asymmetric building and their influences to slab rotation are observed. The CR/CS conditions are applied by varying strength eccentricities (er) and stiffness eccentricities (es) using two condition models. Then, earthquake ground motions are applied in z-direction under elastic and inelastic conditions. The results interpreted using a simple approach shows important slab rotation behaviour that forms interesting findings from this study. The slab rotation demand is found to reduce as strength eccentricity moves away from the Centre of Mass (CoM) but is independent of the stiffness eccentricity. The study also confirms finding of previous works which states that stiffness eccentricity plays a minor role when assessing the torsional behaviour of a ductile systems. Results from inelastic analysis shows slab rotation demand increases as strength eccentricity is closer to the CoM but it remains constant for elastic analysis.

Assessing Dimensionality of Noncompensatory Multidimensional Item Response Theory with Complex Structures

ERIC Educational Resources Information Center

Svetina, Dubravka

2013-01-01

The purpose of this study was to investigate the effect of complex structure on dimensionality assessment in noncompensatory multidimensional item response models using dimensionality assessment procedures based on DETECT (dimensionality evaluation to enumerate contributing traits) and NOHARM (normal ogive harmonic analysis robust method). Five…

A coumarin with an unusual structure from Cuphea ignea, its cytotoxicity and antioxidant activities.

PubMed

Moustafa, E S; Swilam, N F; Ghanem, O B; Hashim, A N; Nawwar, M A; Lindequist, U; Linscheid, M W

2018-04-02

Phenolic metabolite profiling using two dimensional paper chromatographic analysis (2 DPC) was used for assaying the complex mixture of phenolics of an aqueous ethanol aerial part extract of Cuphea ignea (Lytheraceae). A coumarin with a rare structure, namely, 7-hydroxy 3-methoxy coumarin 5-O-β-glucopyranoside was isolated from the investigated extract. The structure was elucidated by conventional methods and spectral analysis, including one and two dimensional NMR (1D and 2D NMR), as well as by interpretation of the spectra obtained by high resolution electrospray ionization mass technique (HRESIMS). The rare coumarin significantly inhibited reactive oxygen species production with an ED50 value of 6.31±1.64 μg/ml and 5.78±0.66 μg/ml as determined by the the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) and the oxygen radical absorption capacity (ORAC) assay respectively. The isolated coumarin presented a cytotoxic activity assessed by using the neutral red assay (NRU) against lung cancer cell line (H23) with IC50 of 40.38±2.75 μg/ml.

Three-dimensional analytical solution for the instability of a parallel array of mutually attracting identical simply supported piezoelectric microplates

NASA Astrophysics Data System (ADS)

Liu, Lei; Wang, Xu

2017-12-01

Three-dimensional analytical solutions are derived for the structural instability of a parallel array of mutually attracting identical simply supported orthotropic piezoelectric rectangular microplates by means of a linear perturbation analysis. The two surfaces of each plate can be either insulating or conducting. By considering the fact that the shear stresses and the normal electric displacement (or electric potential) are zero on the two surfaces of each plate, a 2 × 2 transfer matrix for a plate can be obtained directly from the 8 × 8 fundamental piezoelectricity matrix without resolving the original Stroh eigenrelation. The critical interaction coefficient can be determined by solving the resulting generalized eigenvalue problem for the piezoelectric plate array. Also considered in our analysis is the in-plane uniform edge compression acting on the four sides of each piezoelectric plate. Our results indicate that the stabilizing influence of the piezoelectric effect on the structural instability is unignorable; the edge compression always plays a destabilizing role in the structural instability of the plate array with interactions.

Numerical Study of a Three Dimensional Interaction between two bow Shock Waves and the Aerodynamic Heating on a Wedge Shaped Nose Cone

NASA Astrophysics Data System (ADS)

Wu, N.; Wang, J. H.; Shen, L.

2017-03-01

This paper presents a numerical investigation on the three-dimensional interaction between two bow shock waves in two environments, i.e. ground high-enthalpy wind tunnel test and real space flight, using Fluent 15.0. The first bow shock wave, also called induced shock wave, which is generated by the leading edge of a hypersonic vehicle. The other bow shock wave can be deemed objective shock wave, which is generated by the cowl clip of hypersonic inlet, and in this paper the inlet is represented by a wedge shaped nose cone. The interaction performances including flow field structures, aerodynamic pressure and heating are analyzed and compared between the ground test and the real space flight. Through the analysis and comparison, we can find the following important phenomena: 1) Three-dimensional complicated flow structures appear in both cases, but only in the real space flight condition, a local two-dimensional type IV interaction appears; 2) The heat flux and pressure in the interaction region are much larger than those in the no-interaction region in both cases, but the peak values of the heat flux and pressure in real space flight are smaller than those in ground test. 3) The interaction region on the objective surface are different in the two cases, and there is a peak value displacement of 3 mm along the stagnation line.

Wet-chemical synthesis and applications of non-layer structured two-dimensional nanomaterials

PubMed Central

Tan, Chaoliang; Zhang, Hua

2015-01-01

Non-layer structured nanomaterials with single- or few-layer thickness have two-dimensional sheet-like structures and possess intriguing properties. Recent years have seen major advances in development of a host of non-layer structured ultrathin two-dimensional nanomaterials such as noble metals, metal oxides and metal chalcogenides. The wet-chemical synthesis has emerged as the most promising route towards high-yield and mass production of such nanomaterials. These nanomaterials are now finding increasing applications in a wide range of areas including catalysis, energy production and storage, sensor and nanotherapy, to name but a few. PMID:26303763

Bacterial community structure analysis of sediment in the Sagami River, Japan using a rapid approach based on two-dimensional DNA gel electrophoresis mapping with selective primer pairs.

PubMed

Liu, Guo-hua; Rajendran, Narasimmalu; Amemiya, Takashi; Itoh, Kiminori

2011-11-01

A rapid approach based on two-dimensional DNA gel electrophroesis (2-DGE) mapping with selective primer pairs was employed to analyze bacterial community structure in sediments from upstream, midstream and downstream of Sagami River in Japan. The 2-DGE maps indicated that Alpha- and Delta-proteobacteria were major bacterial populations in the upstream and midstream sediments. Further bacterial community structure analysis showed that richness proportion of Alpha- and Delta-proteobacterial groups reflected a trend toward decreasing from the upstream to downstream sediments. The biomass proportion of bacterial populations in the midstream sediment showed a significantly difference from that in the other sediments, suggesting that there may be an environmental pressure on the midstream bacterial community. Lorenz curves, together with Gini coefficients were successfully applied to the 2-DGE mapping data for resolving evenness of bacterial populations, and showed that the plotted curve from high-resolution 2-DGE mapping became less linear and more an exponential function than that of the 1-DGE methods such as chain length analysis and denaturing gradient gel electrophoresis, suggesting that the 2-DGE mapping may achieve a more detailed evaluation of bacterial community. In conclusion, the 2-DGE mapping combined with the selective primer pairs enables bacterial community structure analysis in river sediment and thus it can also monitor sediment pollution based on the change of bacterial community structure.

Three-dimensional structure-activity relationship modeling of cocaine binding to two monoclonal antibodies by comparative molecular field analysis.

PubMed

Paula, Stefan; Tabet, Michael R; Keenan, Susan M; Welsh, William J; Ball, W James

2003-01-17

Successful immunotherapy of cocaine addiction and overdoses requires cocaine-binding antibodies with specific properties, such as high affinity and selectivity for cocaine. We have determined the affinities of two cocaine-binding murine monoclonal antibodies (mAb: clones 3P1A6 and MM0240PA) for cocaine and its metabolites by [3H]-radioligand binding assays. mAb 3P1A6 (K(d) = 0.22 nM) displayed a 50-fold higher affinity for cocaine than mAb MM0240PA (K(d) = 11 nM) and also had a greater specificity for cocaine. For the systematic exploration of both antibodies' binding specificities, we used a set of approximately 35 cocaine analogues as structural probes by determining their relative binding affinities (RBAs) using an enzyme-linked immunosorbent competition assay. Three-dimensional quantitative structure-activity relationship (3D-QSAR) models on the basis of comparative molecular field analysis (CoMFA) techniques correlated the binding data with structural features of the ligands. The analysis indicated that despite the mAbs' differing specificities for cocaine, the relative contributions of the steric (approximately 80%) and electrostatic (approximately 20%) field interactions to ligand-binding were similar. Generated three-dimensional CoMFA contour plots then located the specific regions about cocaine where the ligand/receptor interactions occurred. While the overall binding patterns of the two mAbs had many features in common, distinct differences were observed about the phenyl ring and the methylester group of cocaine. Furthermore, using previously published data, a 3D-QSAR model was developed for cocaine binding to the dopamine reuptake transporter (DAT) that was compared to the mAb models. Although the relative steric and electrostatic field contributions were similar to those of the mAbs, the DAT cocaine-binding site showed a preference for negatively charged ligands. Besides establishing molecular level insight into the interactions that govern cocaine binding specificity by biopolymers, the three-dimensional images obtained reflect the properties of the mAbs binding pockets and provide the initial information needed for the possible design of novel antibodies with properties optimized for immunotherapy. Copyright 2003 Elsevier Science Ltd.

The Circumplex Model of the Questionnaire on Teacher Interaction among Hong Kong Students: A Multidimensional Scaling Solution

ERIC Educational Resources Information Center

Sivan, Atara; Cohen, Arie; Chan, Dennis W.; Kwan, Yee Wan

2017-01-01

The Questionnaire on Teacher Interaction (QTI) is a teacher--student relationship measure whose underlying two-dimensional structure is represented in a circumplex model with eight sectors. Using Smallest Space Analysis (SSA), this study examined the circumplex structure of the Chinese version of the QTI among a convenience sample of 731…

Two-dimensional wavelet analysis of spruce budworm host basal area in the Border Lakes landscape

Treesearch

Patrick M. James; Brian R. Sturtevant; Phil Townsend; Pete Wolter; Marie-Josee Fortin

2011-01-01

Increases in the extent and severity of spruce budworm (Choristoneura fumiferana Clem.) outbreaks over the last century are thought to be the result of changes in forest structure due to forest management. A corollary of this hypothesis is that manipulations of forest structure and composition can be used to reduce future forest vulnerability....

Imaging quasiperiodic electronic states in a synthetic Penrose tiling

NASA Astrophysics Data System (ADS)

Collins, Laura C.; Witte, Thomas G.; Silverman, Rochelle; Green, David B.; Gomes, Kenjiro K.

2017-06-01

Quasicrystals possess long-range order but lack the translational symmetry of crystalline solids. In solid state physics, periodicity is one of the fundamental properties that prescribes the electronic band structure in crystals. In the absence of periodicity and the presence of quasicrystalline order, the ways that electronic states change remain a mystery. Scanning tunnelling microscopy and atomic manipulation can be used to assemble a two-dimensional quasicrystalline structure mapped upon the Penrose tiling. Here, carbon monoxide molecules are arranged on the surface of Cu(111) one at a time to form the potential landscape that mimics the ionic potential of atoms in natural materials by constraining the electrons in the two-dimensional surface state of Cu(111). The real-space images reveal the presence of the quasiperiodic order in the electronic wave functions and the Fourier analysis of our results links the energy of the resonant states to the local vertex structure of the quasicrystal.

Imaging quasiperiodic electronic states in a synthetic Penrose tiling.

PubMed

Collins, Laura C; Witte, Thomas G; Silverman, Rochelle; Green, David B; Gomes, Kenjiro K

2017-06-22

Quasicrystals possess long-range order but lack the translational symmetry of crystalline solids. In solid state physics, periodicity is one of the fundamental properties that prescribes the electronic band structure in crystals. In the absence of periodicity and the presence of quasicrystalline order, the ways that electronic states change remain a mystery. Scanning tunnelling microscopy and atomic manipulation can be used to assemble a two-dimensional quasicrystalline structure mapped upon the Penrose tiling. Here, carbon monoxide molecules are arranged on the surface of Cu(111) one at a time to form the potential landscape that mimics the ionic potential of atoms in natural materials by constraining the electrons in the two-dimensional surface state of Cu(111). The real-space images reveal the presence of the quasiperiodic order in the electronic wave functions and the Fourier analysis of our results links the energy of the resonant states to the local vertex structure of the quasicrystal.

Measuring Authoritative Teaching

ERIC Educational Resources Information Center

Ertesvag, Sigrun K.

2011-01-01

High quality measurements are important to evaluate interventions. The study reports on the development of a measurement to investigate authoritative teaching understood as a two-dimensional construct of warmth and control. Through the application of confirmatory factor analysis (CFA) and structural equation modelling (SEM) the factor structure…

Equilibrium properties and phase diagram of two-dimensional Yukawa systems

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

Hartmann, P.; Donko, Z.; Kutasi, K.

Properties of two-dimensional strongly coupled Yukawa systems are explored through molecular dynamics simulations. An effective coupling coefficient {gamma}{sup *} for the liquid phase is introduced on the basis of the constancy of the first peak amplitude of the pair-correlation functions. Thermodynamic quantities are calculated from the pair-correlation function. The solid-liquid transition of the system is investigated through the analysis of the bond-angular order parameter. The static structure function satisfies consistency relation, attesting to the reliability of the computational method. The response is shown to be governed by the correlational part of the inverse compressibility. An analysis of the velocity autocorrelationmore » demonstrates that this latter also exhibits a universal behavior.« less

Ceramic component reliability with the restructured NASA/CARES computer program

NASA Technical Reports Server (NTRS)

Powers, Lynn M.; Starlinger, Alois; Gyekenyesi, John P.

1992-01-01

The Ceramics Analysis and Reliability Evaluation of Structures (CARES) integrated design program on statistical fast fracture reliability and monolithic ceramic components is enhanced to include the use of a neutral data base, two-dimensional modeling, and variable problem size. The data base allows for the efficient transfer of element stresses, temperatures, and volumes/areas from the finite element output to the reliability analysis program. Elements are divided to insure a direct correspondence between the subelements and the Gaussian integration points. Two-dimensional modeling is accomplished by assessing the volume flaw reliability with shell elements. To demonstrate the improvements in the algorithm, example problems are selected from a round-robin conducted by WELFEP (WEakest Link failure probability prediction by Finite Element Postprocessors).

Multiple brain atlas database and atlas-based neuroimaging system.

PubMed

Nowinski, W L; Fang, A; Nguyen, B T; Raphel, J K; Jagannathan, L; Raghavan, R; Bryan, R N; Miller, G A

1997-01-01

For the purpose of developing multiple, complementary, fully labeled electronic brain atlases and an atlas-based neuroimaging system for analysis, quantification, and real-time manipulation of cerebral structures in two and three dimensions, we have digitized, enhanced, segmented, and labeled the following print brain atlases: Co-Planar Stereotaxic Atlas of the Human Brain by Talairach and Tournoux, Atlas for Stereotaxy of the Human Brain by Schaltenbrand and Wahren, Referentially Oriented Cerebral MRI Anatomy by Talairach and Tournoux, and Atlas of the Cerebral Sulci by Ono, Kubik, and Abernathey. Three-dimensional extensions of these atlases have been developed as well. All two- and three-dimensional atlases are mutually preregistered and may be interactively registered with an actual patient's data. An atlas-based neuroimaging system has been developed that provides support for reformatting, registration, visualization, navigation, image processing, and quantification of clinical data. The anatomical index contains about 1,000 structures and over 400 sulcal patterns. Several new applications of the brain atlas database also have been developed, supported by various technologies such as virtual reality, the Internet, and electronic publishing. Fusion of information from multiple atlases assists the user in comprehensively understanding brain structures and identifying and quantifying anatomical regions in clinical data. The multiple brain atlas database and atlas-based neuroimaging system have substantial potential impact in stereotactic neurosurgery and radiotherapy by assisting in visualization and real-time manipulation in three dimensions of anatomical structures, in quantitative neuroradiology by allowing interactive analysis of clinical data, in three-dimensional neuroeducation, and in brain function studies.

Two-dimensional sparse wavenumber recovery for guided wavefields

NASA Astrophysics Data System (ADS)

Sabeti, Soroosh; Harley, Joel B.

2018-04-01

The multi-modal and dispersive behavior of guided waves is often characterized by their dispersion curves, which describe their frequency-wavenumber behavior. In prior work, compressive sensing based techniques, such as sparse wavenumber analysis (SWA), have been capable of recovering dispersion curves from limited data samples. A major limitation of SWA, however, is the assumption that the structure is isotropic. As a result, SWA fails when applied to composites and other anisotropic structures. There have been efforts to address this issue in the literature, but they either are not easily generalizable or do not sufficiently express the data. In this paper, we enhance the existing approaches by employing a two-dimensional wavenumber model to account for direction-dependent velocities in anisotropic media. We integrate this model with tools from compressive sensing to reconstruct a wavefield from incomplete data. Specifically, we create a modified two-dimensional orthogonal matching pursuit algorithm that takes an undersampled wavefield image, with specified unknown elements, and determines its sparse wavenumber characteristics. We then recover the entire wavefield from the sparse representations obtained with our small number of data samples.

Exact solutions and conservation laws of the system of two-dimensional viscous Burgers equations

NASA Astrophysics Data System (ADS)

Abdulwahhab, Muhammad Alim

2016-10-01

Fluid turbulence is one of the phenomena that has been studied extensively for many decades. Due to its huge practical importance in fluid dynamics, various models have been developed to capture both the indispensable physical quality and the mathematical structure of turbulent fluid flow. Among the prominent equations used for gaining in-depth insight of fluid turbulence is the two-dimensional Burgers equations. Its solutions have been studied by researchers through various methods, most of which are numerical. Being a simplified form of the two-dimensional Navier-Stokes equations and its wide range of applicability in various fields of science and engineering, development of computationally efficient methods for the solution of the two-dimensional Burgers equations is still an active field of research. In this study, Lie symmetry method is used to perform detailed analysis on the system of two-dimensional Burgers equations. Optimal system of one-dimensional subalgebras up to conjugacy is derived and used to obtain distinct exact solutions. These solutions not only help in understanding the physical effects of the model problem but also, can serve as benchmarks for constructing algorithms and validation of numerical solutions of the system of Burgers equations under consideration at finite Reynolds numbers. Independent and nontrivial conserved vectors are also constructed.

TENSOR DECOMPOSITIONS AND SPARSE LOG-LINEAR MODELS

PubMed Central

Johndrow, James E.; Bhattacharya, Anirban; Dunson, David B.

2017-01-01

Contingency table analysis routinely relies on log-linear models, with latent structure analysis providing a common alternative. Latent structure models lead to a reduced rank tensor factorization of the probability mass function for multivariate categorical data, while log-linear models achieve dimensionality reduction through sparsity. Little is known about the relationship between these notions of dimensionality reduction in the two paradigms. We derive several results relating the support of a log-linear model to nonnegative ranks of the associated probability tensor. Motivated by these findings, we propose a new collapsed Tucker class of tensor decompositions, which bridge existing PARAFAC and Tucker decompositions, providing a more flexible framework for parsimoniously characterizing multivariate categorical data. Taking a Bayesian approach to inference, we illustrate empirical advantages of the new decompositions. PMID:29332971

Scale-free crystallization of two-dimensional complex plasmas: Domain analysis using Minkowski tensors

NASA Astrophysics Data System (ADS)

Böbel, A.; Knapek, C. A.; Räth, C.

2018-05-01

Experiments of the recrystallization processes in two-dimensional complex plasmas are analyzed to rigorously test a recently developed scale-free phase transition theory. The "fractal-domain-structure" (FDS) theory is based on the kinetic theory of Frenkel. It assumes the formation of homogeneous domains, separated by defect lines, during crystallization and a fractal relationship between domain area and boundary length. For the defect number fraction and system energy a scale-free power-law relation is predicted. The long-range scaling behavior of the bond-order correlation function shows clearly that the complex plasma phase transitions are not of the Kosterlitz, Thouless, Halperin, Nelson, and Young type. Previous preliminary results obtained by counting the number of dislocations and applying a bond-order metric for structural analysis are reproduced. These findings are supplemented by extending the use of the bond-order metric to measure the defect number fraction and furthermore applying state-of-the-art analysis methods, allowing a systematic testing of the FDS theory with unprecedented scrutiny: A morphological analysis of lattice structure is performed via Minkowski tensor methods. Minkowski tensors form a complete family of additive, motion covariant and continuous morphological measures that are sensitive to nonlinear properties. The FDS theory is rigorously confirmed and predictions of the theory are reproduced extremely well. The predicted scale-free power-law relation between defect fraction number and system energy is verified for one more order of magnitude at high energies compared to the inherently discontinuous bond-order metric. It is found that the fractal relation between crystalline domain area and circumference is independent of the experiment, the particular Minkowski tensor method, and the particular choice of parameters. Thus, the fractal relationship seems to be inherent to two-dimensional phase transitions in complex plasmas. Minkowski tensor analysis turns out to be a powerful tool for investigations of crystallization processes. It is capable of revealing nonlinear local topological properties, however, still provides easily interpretable results founded on a solid mathematical framework.

Co-assembly of Zn(SPh){sub 2} and organic linkers into helical and zig-zag polymer chains

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

Liu Yi; Yu Lingmin; Loo, Say Chye Joachim

2012-07-15

Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (EG=ethylene glycol) (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized under solvothermal conditions at 150 Degree-Sign C or room temperature by the co-assembly of Zn(SPh){sub 2} and organic linkers such as 2,4,6-tri(4-pyridyl)-1,3,5-triazine (TPyTA) and 1,3-bis(trans-4-pyridylvinyl)benzene (BPyVB). X-ray crystallography study reveals that both polymers 1 and 2 crystallize in space group P2{sub 1}/c of the monoclinic system. The solid-state UV-vis absorption spectra show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up tomore » 110 Degree-Sign C and 210 Degree-Sign C. - Graphical abstract: Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized. Solid-state UV-vis absorptions show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up to 110 Degree-Sign C and 210 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Two novel one-dimensional coordination polymers have been synthesized. Black-Right-Pointing-Pointer TPyTA results in helical structures in 1 while BPyVB leads to zig-zag chains in 2. Black-Right-Pointing-Pointer Solid-state UV-vis absorption spectra and TGA analysis of the title polymers were studied.« less

Computational genetic neuroanatomy of the developing mouse brain: dimensionality reduction, visualization, and clustering

PubMed Central

2013-01-01

Background The structured organization of cells in the brain plays a key role in its functional efficiency. This delicate organization is the consequence of unique molecular identity of each cell gradually established by precise spatiotemporal gene expression control during development. Currently, studies on the molecular-structural association are beginning to reveal how the spatiotemporal gene expression patterns are related to cellular differentiation and structural development. Results In this article, we aim at a global, data-driven study of the relationship between gene expressions and neuroanatomy in the developing mouse brain. To enable visual explorations of the high-dimensional data, we map the in situ hybridization gene expression data to a two-dimensional space by preserving both the global and the local structures. Our results show that the developing brain anatomy is largely preserved in the reduced gene expression space. To provide a quantitative analysis, we cluster the reduced data into groups and measure the consistency with neuroanatomy at multiple levels. Our results show that the clusters in the low-dimensional space are more consistent with neuroanatomy than those in the original space. Conclusions Gene expression patterns and developing brain anatomy are closely related. Dimensionality reduction and visual exploration facilitate the study of this relationship. PMID:23845024

Confinement and Structural Changes in Vertically Aligned Dust Structures

NASA Astrophysics Data System (ADS)

Hyde, Truell

2013-10-01

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

In Situ Three-Dimensional Reciprocal-Space Mapping of Diffuse Scattering Intensity Distribution and Data Analysis for Precursor Phenomenon in Shape-Memory Alloy

NASA Astrophysics Data System (ADS)

Cheng, Tian-Le; Ma, Fengde D.; Zhou, Jie E.; Jennings, Guy; Ren, Yang; Jin, Yongmei M.; Wang, Yu U.

2012-01-01

Diffuse scattering contains rich information on various structural disorders, thus providing a useful means to study the nanoscale structural deviations from the average crystal structures determined by Bragg peak analysis. Extraction of maximal information from diffuse scattering requires concerted efforts in high-quality three-dimensional (3D) data measurement, quantitative data analysis and visualization, theoretical interpretation, and computer simulations. Such an endeavor is undertaken to study the correlated dynamic atomic position fluctuations caused by thermal vibrations (phonons) in precursor state of shape-memory alloys. High-quality 3D diffuse scattering intensity data around representative Bragg peaks are collected by using in situ high-energy synchrotron x-ray diffraction and two-dimensional digital x-ray detector (image plate). Computational algorithms and codes are developed to construct the 3D reciprocal-space map of diffuse scattering intensity distribution from the measured data, which are further visualized and quantitatively analyzed to reveal in situ physical behaviors. Diffuse scattering intensity distribution is explicitly formulated in terms of atomic position fluctuations to interpret the experimental observations and identify the most relevant physical mechanisms, which help set up reduced structural models with minimal parameters to be efficiently determined by computer simulations. Such combined procedures are demonstrated by a study of phonon softening phenomenon in precursor state and premartensitic transformation of Ni-Mn-Ga shape-memory alloy.

Femtosecond X-ray Diffraction From Two-Dimensional Protein Crystals

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

Frank, Matthias; Carlson, David B.; Hunter, Mark

2014-02-28

Here we present femtosecond x-ray diffraction patterns from two-dimensional (2-D) protein crystals using an x-ray free electron laser (XFEL). To date it has not been possible to acquire x-ray diffraction from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permits a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy methodology at the Linac Coherent Light Source, we observed Bragg diffraction to better than 8.5 Å resolution for two different 2-D protein crystal samples that were maintained at room temperature. These proof-of-principle results show promisemore » for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.« less

Analysis of electrical-field-dependent Dzyaloshinskii-Moriya interaction and magnetocrystalline anisotropy in a two-dimensional ferromagnetic monolayer

NASA Astrophysics Data System (ADS)

Liu, Jie; Shi, Mengchao; Lu, Jiwu; Anantram, M. P.

2018-02-01

We analyze the impacts of the electric field on the Dzyaloshinskii-Moriya interaction, magnetocrystalline anisotropy, and intrinsic ferromagnetism of the recently discovered two-dimensional ferromagnetic chromium tri-iodide (Cr I3 ) monolayer, by combining density functional theory and Monte Carlo simulations. By taking advantage of the counterbalancing effects of anisotropic symmetric exchange energy and antisymmetric exchange energy, it is shown that the intrinsic ferromagnetism can be manipulated by externally applied off-plane electric fields. The results quantitatively reveal the impacts of off-plane electric field on the lattice structure, magnetic anisotropy energy, symmetric and antisymmetric exchange energies, Curie temperature, magnetic hysteresis, and coercive field. The physical mechanism of all-electrical control of magnetism proposed here is useful for creating next-generation magnetic device technologies based on the recently discovered two-dimensional ferromagnetic crystals.

Multilocality and fusion rules on the generalized structure functions in two-dimensional and three-dimensional Navier-Stokes turbulence.

PubMed

Gkioulekas, Eleftherios

2016-09-01

Using the fusion-rules hypothesis for three-dimensional and two-dimensional Navier-Stokes turbulence, we generalize a previous nonperturbative locality proof to multiple applications of the nonlinear interactions operator on generalized structure functions of velocity differences. We call this generalization of nonperturbative locality to multiple applications of the nonlinear interactions operator "multilocality." The resulting cross terms pose a new challenge requiring a new argument and the introduction of a new fusion rule that takes advantage of rotational symmetry. Our main result is that the fusion-rules hypothesis implies both locality and multilocality in both the IR and UV limits for the downscale energy cascade of three-dimensional Navier-Stokes turbulence and the downscale enstrophy cascade and inverse energy cascade of two-dimensional Navier-Stokes turbulence. We stress that these claims relate to nonperturbative locality of generalized structure functions on all orders and not the term-by-term perturbative locality of diagrammatic theories or closure models that involve only two-point correlation and response functions.

Band structures in a two-dimensional phononic crystal with rotational multiple scatterers

NASA Astrophysics Data System (ADS)

Song, Ailing; Wang, Xiaopeng; Chen, Tianning; Wan, Lele

2017-03-01

In this paper, the acoustic wave propagation in a two-dimensional phononic crystal composed of rotational multiple scatterers is investigated. The dispersion relationships, the transmission spectra and the acoustic modes are calculated by using finite element method. In contrast to the system composed of square tubes, there exist a low-frequency resonant bandgap and two wide Bragg bandgaps in the proposed structure, and the transmission spectra coincide with band structures. Specially, the first bandgap is based on locally resonant mechanism, and the simulation results agree well with the results of electrical circuit analogy. Additionally, increasing the rotation angle can remarkably influence the band structures due to the transfer of sound pressure between the internal and external cavities in low-order modes, and the redistribution of sound pressure in high-order modes. Wider bandgaps are obtained in arrays composed of finite unit cells with different rotation angles. The analysis results provide a good reference for tuning and obtaining wide bandgaps, and hence exploring the potential applications of the proposed phononic crystal in low-frequency noise insulation.

Modeling drying of three-dimensional pulp molded structures. Part I, Experimental program

Treesearch

Heike Nyist; John F. Hunt; Margit Tamasy-Bano

1998-01-01

Researchers at the USDA Forest Products Laboratory have developed a new three-dimensional structural panel, called FPL Spaceboard. This panel is formed using a U.S. patented three-dimensional mold capable of using a variety of fibrous materials with either the wet- or dry-forming process. Structurally, the panel departs from the traditional two-dimensional panel by...

Two new three-dimensional zinc phosphites templated by piperazine: [H2pip][Zn3(HPO3)4(H2O)2] and K[H2pip]0.5[Zn3(HPO3)4

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Wang, Guo-Ming; Wang, Zong-Hua; Wang, Ying-Xia; Lin, Jian-Hua

2014-01-01

Two three-dimensional open-framework zinc phosphites with the same organically templated, [H2pip][Zn3(HPO3)4(H2O)2] (1) and K[H2pip]0.5[Zn3(HPO3)4] (2) (pip = piperazine), have been solvothermally synthesized and structurally characterized by IR, elemental analysis, thermogravimetric analysis, powder and single-crystal X-ray diffractions. Compound 1 consists of ZnO4 tetrahedra, [HPO3] pseudopyramids and [ZnO4(H2O)2] octahedra, which are linked through their vertexes to generate three-dimensional architecture with intersecting 8-membered channels along the [1 0 0], [0 0 1] and [1 0 1] directions. Compound 2 is constructed from strictly alternating ZnO4 tetrahedra and [HPO3] pseudopyramids, and exhibits (3,4)-connected inorganic framework with 8-, and 12-membered channels, in which the K+ and diprotonated H2pip2+ extra-framework cations reside, respectively. The coexistence of inorganic K+ and organic piperazine mixed templates in the structure is unique and, to the best of our knowledge, firstly observed in metal-phosphite materials. In addition, the participation of left-handed and right-handed helical chains in construction of the puckered 4.82 sheet structure in 2 is also noteworthy.

Two-photon polymerization of a three dimensional structure using beams with orbital angular momentum

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

Zhang, Shi-Jie; Li, Yan, E-mail: li@pku.edu.cn; Liu, Zhao-Pei

The focus of a beam with orbital angular momentum exhibits internal structure instead of an elliptical intensity distribution of a Gaussian beam, and the superposition of Gauss-Laguerre beams realized by two-dimensional phase modulation can generate a complex three-dimensional (3D) focus. By taking advantage of the flexibility of this 3D focus tailoring, we have fabricated a 3D microstructure with high resolution by two-photon polymerization with a single exposure. Furthermore, we have polymerized an array of double-helix structures that demonstrates optical chirality.

Rietveld-refinement and optical study of the Fe doped ZnO thin film by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Kumar, Arun; Dhiman, Pooja; Singh, M.

2017-05-01

Fe Doped ZnO Dilute Magnetic Semiconductor thin film prepared by RF magnetron sputtering on glass substrate and Influence of 3% Fe-doping on structural and Optical properties has been studied. The Rietveld-refinement analysis shows that Fe doping has a significant effect on crystalline structure, grain size and strain in the thin film. Two dimensional and three-dimensional atom probe tomography of the thin film shows that Fe ions are randomly distributed which is supported by Xray Diffraction (XRD). Fe-doping is found to effectively modify the band gap energy up to 3.5 eV.

Application of a substructuring technique to the problem of crack extension and closure

NASA Technical Reports Server (NTRS)

Armen, H., Jr.

1974-01-01

A substructuring technique, originally developed for the efficient reanalysis of structures, is incorporated into the methodology associated with the plastic analysis of structures. An existing finite-element computer program that accounts for elastic-plastic material behavior under cyclic loading was modified to account for changing kinematic constraint conditions - crack growth and intermittent contact of crack surfaces in two dimensional regions. Application of the analysis is presented for a problem of a centercrack panel to demonstrate the efficiency and accuracy of the technique.

Processing Cones: A Computational Structure for Image Analysis.

DTIC Science & Technology

1981-12-01

image analysis applications, referred to as a processing cone, is described and sample algorithms are presented. A fundamental characteristic of the structure is its hierarchical organization into two-dimensional arrays of decreasing resolution. In this architecture, a protypical function is defined on a local window of data and applied uniformly to all windows in a parallel manner. Three basic modes of processing are supported in the cone: reduction operations (upward processing), horizontal operations (processing at a single level) and projection operations (downward

SPAR improved structure/fluid dynamic analysis capability

NASA Technical Reports Server (NTRS)

Oden, J. T.; Pearson, M. L.

1983-01-01

The capability of analyzing a coupled dynamic system of flowing fluid and elastic structure was added to the SPAR computer code. A method, developed and adopted for use in SPAR utilizes the existing assumed stress hybrid plan element in SPAR. An operational mode was incorporated in SPAR which provides the capability for analyzing the flaw of a two dimensional, incompressible, viscous fluid within rigid boundaries. Equations were developed to provide for the eventual analysis of the interaction of such fluids with an elastic solid.

Topology of large-scale structure. IV - Topology in two dimensions

NASA Technical Reports Server (NTRS)

Melott, Adrian L.; Cohen, Alexander P.; Hamilton, Andrew J. S.; Gott, J. Richard, III; Weinberg, David H.

1989-01-01

In a recent series of papers, an algorithm was developed for quantitatively measuring the topology of the large-scale structure of the universe and this algorithm was applied to numerical models and to three-dimensional observational data sets. In this paper, it is shown that topological information can be derived from a two-dimensional cross section of a density field, and analytic expressions are given for a Gaussian random field. The application of a two-dimensional numerical algorithm for measuring topology to cross sections of three-dimensional models is demonstrated.

Development of advanced structural analysis methodologies for predicting widespread fatigue damage in aircraft structures

NASA Technical Reports Server (NTRS)

Harris, Charles E.; Starnes, James H., Jr.; Newman, James C., Jr.

1995-01-01

NASA is developing a 'tool box' that includes a number of advanced structural analysis computer codes which, taken together, represent the comprehensive fracture mechanics capability required to predict the onset of widespread fatigue damage. These structural analysis tools have complementary and specialized capabilities ranging from a finite-element-based stress-analysis code for two- and three-dimensional built-up structures with cracks to a fatigue and fracture analysis code that uses stress-intensity factors and material-property data found in 'look-up' tables or from equations. NASA is conducting critical experiments necessary to verify the predictive capabilities of the codes, and these tests represent a first step in the technology-validation and industry-acceptance processes. NASA has established cooperative programs with aircraft manufacturers to facilitate the comprehensive transfer of this technology by making these advanced structural analysis codes available to industry.

Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation

NASA Astrophysics Data System (ADS)

Yorulmaz, Uğur; Özden, Ayberk; Perkgöz, Nihan K.; Ay, Feridun; Sevik, Cem

2016-08-01

MXenes, carbides, nitrides and carbonitrides of early transition metals are the new members of two dimensional materials family given with a formula of {{{M}}}n+1 X n . Recent advances in chemical exfoliation and CVD growth of these crystals together with their promising performance in electrochemical energy storage systems have triggered the interest in these two dimensional structures. In this work, we employ first principles calculations for n = 1 structures of Sc, Ti, Zr, Mo and Hf pristine MXenes and their fully surface terminated forms with F and O. We systematically investigated the dynamical and mechanical stability of both pristine and fully terminated MXene structures to determine the possible MXene candidates for experimental realization. In conjunction with an extensive stability analysis, we report Raman and infrared active mode frequencies for the first time, providing indispensable information for the experimental elaboration of MXene field. After determining dynamically stable MXenes, we provide their phonon dispersion relations, electronic and mechanical properties.

Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation.

PubMed

Yorulmaz, Uğur; Özden, Ayberk; Perkgöz, Nihan K; Ay, Feridun; Sevik, Cem

2016-08-19

MXenes, carbides, nitrides and carbonitrides of early transition metals are the new members of two dimensional materials family given with a formula of [Formula: see text] X n . Recent advances in chemical exfoliation and CVD growth of these crystals together with their promising performance in electrochemical energy storage systems have triggered the interest in these two dimensional structures. In this work, we employ first principles calculations for n = 1 structures of Sc, Ti, Zr, Mo and Hf pristine MXenes and their fully surface terminated forms with F and O. We systematically investigated the dynamical and mechanical stability of both pristine and fully terminated MXene structures to determine the possible MXene candidates for experimental realization. In conjunction with an extensive stability analysis, we report Raman and infrared active mode frequencies for the first time, providing indispensable information for the experimental elaboration of MXene field. After determining dynamically stable MXenes, we provide their phonon dispersion relations, electronic and mechanical properties.

An approximation method for configuration optimization of trusses

NASA Technical Reports Server (NTRS)

Hansen, Scott R.; Vanderplaats, Garret N.

1988-01-01

Two- and three-dimensional elastic trusses are designed for minimum weight by varying the areas of the members and the location of the joints. Constraints on member stresses and Euler buckling are imposed and multiple static loading conditions are considered. The method presented here utilizes an approximate structural analysis based on first order Taylor series expansions of the member forces. A numerical optimizer minimizes the weight of the truss using information from the approximate structural analysis. Comparisons with results from other methods are made. It is shown that the method of forming an approximate structural analysis based on linearized member forces leads to a highly efficient method of truss configuration optimization.

Traditional Semiconductors in the Two-Dimensional Limit.

PubMed

Lucking, Michael C; Xie, Weiyu; Choe, Duk-Hyun; West, Damien; Lu, Toh-Ming; Zhang, S B

2018-02-23

Interest in two-dimensional materials has exploded in recent years. Not only are they studied due to their novel electronic properties, such as the emergent Dirac fermion in graphene, but also as a new paradigm in which stacking layers of distinct two-dimensional materials may enable different functionality or devices. Here, through first-principles theory, we reveal a large new class of two-dimensional materials which are derived from traditional III-V, II-VI, and I-VII semiconductors. It is found that in the ultrathin limit the great majority of traditional binary semiconductors studied (a series of 28 semiconductors) are not only kinetically stable in a two-dimensional double layer honeycomb structure, but more energetically stable than the truncated wurtzite or zinc-blende structures associated with three dimensional bulk. These findings both greatly increase the landscape of two-dimensional materials and also demonstrate that in the double layer honeycomb form, even ordinary semiconductors, such as GaAs, can exhibit exotic topological properties.

Discovering Hidden Controlling Parameters using Data Analytics and Dimensional Analysis

NASA Astrophysics Data System (ADS)

Del Rosario, Zachary; Lee, Minyong; Iaccarino, Gianluca

2017-11-01

Dimensional Analysis is a powerful tool, one which takes a priori information and produces important simplifications. However, if this a priori information - the list of relevant parameters - is missing a relevant quantity, then the conclusions from Dimensional Analysis will be incorrect. In this work, we present novel conclusions in Dimensional Analysis, which provide a means to detect this failure mode of missing or hidden parameters. These results are based on a restated form of the Buckingham Pi theorem that reveals a ridge function structure underlying all dimensionless physical laws. We leverage this structure by constructing a hypothesis test based on sufficient dimension reduction, allowing for an experimental data-driven detection of hidden parameters. Both theory and examples will be presented, using classical turbulent pipe flow as the working example. Keywords: experimental techniques, dimensional analysis, lurking variables, hidden parameters, buckingham pi, data analysis. First author supported by the NSF GRFP under Grant Number DGE-114747.

Rigorous joining of advanced reduced-dimensional beam models to three-dimensional finite element models

NASA Astrophysics Data System (ADS)

Song, Huimin

In the aerospace and automotive industries, many finite element analyses use lower-dimensional finite elements such as beams, plates and shells, to simplify the modeling. These simplified models can greatly reduce the computation time and cost; however, reduced-dimensional models may introduce inaccuracies, particularly near boundaries and near portions of the structure where reduced-dimensional models may not apply. Another factor in creation of such models is that beam-like structures frequently have complex geometry, boundaries and loading conditions, which may make them unsuitable for modeling with single type of element. The goal of this dissertation is to develop a method that can accurately and efficiently capture the response of a structure by rigorous combination of a reduced-dimensional beam finite element model with a model based on full two-dimensional (2D) or three-dimensional (3D) finite elements. The first chapter of the thesis gives the background of the present work and some related previous work. The second chapter is focused on formulating a system of equations that govern the joining of a 2D model with a beam model for planar deformation. The essential aspect of this formulation is to find the transformation matrices to achieve deflection and load continuity on the interface. Three approaches are provided to obtain the transformation matrices. An example based on joining a beam to a 2D finite element model is examined, and the accuracy of the analysis is studied by comparing joint results with the full 2D analysis. The third chapter is focused on formulating the system of equations for joining a beam to a 3D finite element model for static and free-vibration problems. The transition between the 3D elements and beam elements is achieved by use of the stress recovery technique of the variational-asymptotic method as implemented in VABS (the Variational Asymptotic Beam Section analysis). The formulations for an interface transformation matrix and the generalized Timoshenko beam are discussed in this chapter. VABS is also used to obtain the beam constitutive properties and warping functions for stress recovery. Several 3D-beam joint examples are presented to show the convergence and accuracy of the analysis. Accuracy is accessed by comparing the joint results with the full 3D analysis. The fourth chapter provides conclusions from present studies and recommendations for future work.

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

NASA Technical Reports Server (NTRS)

Aminpour, Mohammad

1995-01-01

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

First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

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

Gu, Xiaokun; Yang, Ronggui, E-mail: Ronggui.Yang@Colorado.Edu

2015-01-14

There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal structure, we find that phonon transport in silicene is quite different from that in graphene. The thermal conductivity of silicenemore » shows a logarithmic increase with respect to the sample size due to the small scattering rates of acoustic in-plane phonon modes, while that of graphene is finite. Detailed analysis of phonon scattering channels shows that the linear dispersion of the acoustic out-of-plane (ZA) phonon modes, which is induced by the buckled structure, makes the long-wavelength longitudinal acoustic phonon modes in silicene not as efficiently scattered as that in graphene. Compared with graphene, where most of the heat is carried by the acoustic out-of-plane (ZA) phonon modes, the ZA phonon modes in silicene only have ∼10% contribution to the total thermal conductivity, which can also be attributed to the buckled structure. This systematic comparison of phonon transport and thermal conductivity of silicene and graphene using the first-principle-based calculations shed some light on other two-dimensional materials, such as two-dimensional transition metal dichalcogenides.« less

Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy

DOE PAGES

Hwang, Sooyeon; Yao, Zhenpeng; Zhang, Lei; ...

2018-04-03

Two-dimensional metal sulfides have been widely explored as promising electrodes for lithium ion batteries since their two-dimensional layered structure allows lithium ions to intercalate between layers. For tin disulfide, the lithiation process proceeds via a sequence of three different types of reactions: intercalation, conversion, and alloying but the full scenario of reaction dynamics remains nebulous. In this paper, we investigate the dynamical process of the multi-step reactions using in situ electron microscopy and discover an intermediate rock-salt phase with the disordering of Li and Sn cations, after the initial 2-dimensional intercalation. The disordered cations occupy all the octahedral sites andmore » block the channels for intercalation, which alter the reaction pathways during further lithiation. Our first principles calculations of the non-equilibrium lithiation of SnS2 corroborate the energetic preference of the disordered rock-salt structure over known layered polymorphs. The in situ observations and calculations suggest a two-phase reaction nature for intercalation, disordering, and following conversion reactions. In addition, in situ de-lithiation observation confirms that the alloying reaction is reversible while the conversion reaction is not, which is consistent to the ex situ analysis. This work reveals the full lithiation characteristic of SnS2 and sheds light on the understanding of complex multistep reactions in two-dimensional materials.« less

Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy

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

Hwang, Sooyeon; Yao, Zhenpeng; Zhang, Lei

Two-dimensional metal sulfides have been widely explored as promising electrodes for lithium ion batteries since their two-dimensional layered structure allows lithium ions to intercalate between layers. For tin disulfide, the lithiation process proceeds via a sequence of three different types of reactions: intercalation, conversion, and alloying but the full scenario of reaction dynamics remains nebulous. In this paper, we investigate the dynamical process of the multi-step reactions using in situ electron microscopy and discover an intermediate rock-salt phase with the disordering of Li and Sn cations, after the initial 2-dimensional intercalation. The disordered cations occupy all the octahedral sites andmore » block the channels for intercalation, which alter the reaction pathways during further lithiation. Our first principles calculations of the non-equilibrium lithiation of SnS2 corroborate the energetic preference of the disordered rock-salt structure over known layered polymorphs. The in situ observations and calculations suggest a two-phase reaction nature for intercalation, disordering, and following conversion reactions. In addition, in situ de-lithiation observation confirms that the alloying reaction is reversible while the conversion reaction is not, which is consistent to the ex situ analysis. This work reveals the full lithiation characteristic of SnS2 and sheds light on the understanding of complex multistep reactions in two-dimensional materials.« less

Generation Algorithm of Discrete Line in Multi-Dimensional Grids

NASA Astrophysics Data System (ADS)

Du, L.; Ben, J.; Li, Y.; Wang, R.

2017-09-01

Discrete Global Grids System (DGGS) is a kind of digital multi-resolution earth reference model, in terms of structure, it is conducive to the geographical spatial big data integration and mining. Vector is one of the important types of spatial data, only by discretization, can it be applied in grids system to make process and analysis. Based on the some constraint conditions, this paper put forward a strict definition of discrete lines, building a mathematic model of the discrete lines by base vectors combination method. Transforming mesh discrete lines issue in n-dimensional grids into the issue of optimal deviated path in n-minus-one dimension using hyperplane, which, therefore realizing dimension reduction process in the expression of mesh discrete lines. On this basis, we designed a simple and efficient algorithm for dimension reduction and generation of the discrete lines. The experimental results show that our algorithm not only can be applied in the two-dimensional rectangular grid, also can be applied in the two-dimensional hexagonal grid and the three-dimensional cubic grid. Meanwhile, when our algorithm is applied in two-dimensional rectangular grid, it can get a discrete line which is more similar to the line in the Euclidean space.

Two novel FeII-oxalate architectures: Solvent-free synthesis, structures, thermal and magnetic studies

NASA Astrophysics Data System (ADS)

Li, Jin-Hua; Liu, Hui; Wei, Li; Wang, Guo-Ming

2015-10-01

Two novel FeII-oxalate framework with the formulas of [NH4][FeIILi3(C2O4)3] (1) and [NH4]2[FeII(C2O4)2]·H2O (2) have been prepared by an oxalic acid flux approach and structurally characterized by IR, elemental analysis, thermogravimetric analysis, single-crystal and powder X-ray diffraction. Heterometallic compound 1 displays a three-dimensional (3D) framework with a pto topology, while homometallic compound 2 features a pillar-layer architecture with a hms topology. Thermal analysis indicates that the two compounds can be stable up to 300 °C and 200 °C, respectively. Magnetic investigations suggest that the FeII ions in 1 and 2 exhibit weak magnetic exchange interactions.

Design of Reflective, Photonic Shields for Atmospheric Reentry

NASA Technical Reports Server (NTRS)

Komarevskiy, Nikolay; Shklover, Valery; Braginsky, Leonid; Hafner, Christian; Fabrichnaya, Olga; White, Susan; Lawson, John

2010-01-01

We present the design of one-dimensional photonic crystal structures, which can be used as omnidirectional reflecting shields against radiative heating of space vehicles entering the Earth's atmosphere. This radiation is approximated by two broad bands centered at visible and near-infrared energies. We applied two approaches to find structures with the best omnidirectional reflecting performance. The first approach is based on a band gap analysis and leads to structures composed of stacked Bragg mirrors. In the second approach, we optimize the structure using an evolutionary strategy. The suggested structures are compared with a simple design of two stacked Bragg mirrors. Choice of the constituent materials for the layers as well as the influence of interlayer diffusion at high temperatures are discussed.

Extracting Galaxy Cluster Gas Inhomogeneity from X-Ray Surface Brightness: A Statistical Approach and Application to Abell 3667

NASA Astrophysics Data System (ADS)

Kawahara, Hajime; Reese, Erik D.; Kitayama, Tetsu; Sasaki, Shin; Suto, Yasushi

2008-11-01

Our previous analysis indicates that small-scale fluctuations in the intracluster medium (ICM) from cosmological hydrodynamic simulations follow the lognormal probability density function. In order to test the lognormal nature of the ICM directly against X-ray observations of galaxy clusters, we develop a method of extracting statistical information about the three-dimensional properties of the fluctuations from the two-dimensional X-ray surface brightness. We first create a set of synthetic clusters with lognormal fluctuations around their mean profile given by spherical isothermal β-models, later considering polytropic temperature profiles as well. Performing mock observations of these synthetic clusters, we find that the resulting X-ray surface brightness fluctuations also follow the lognormal distribution fairly well. Systematic analysis of the synthetic clusters provides an empirical relation between the three-dimensional density fluctuations and the two-dimensional X-ray surface brightness. We analyze Chandra observations of the galaxy cluster Abell 3667, and find that its X-ray surface brightness fluctuations follow the lognormal distribution. While the lognormal model was originally motivated by cosmological hydrodynamic simulations, this is the first observational confirmation of the lognormal signature in a real cluster. Finally we check the synthetic cluster results against clusters from cosmological hydrodynamic simulations. As a result of the complex structure exhibited by simulated clusters, the empirical relation between the two- and three-dimensional fluctuation properties calibrated with synthetic clusters when applied to simulated clusters shows large scatter. Nevertheless we are able to reproduce the true value of the fluctuation amplitude of simulated clusters within a factor of 2 from their two-dimensional X-ray surface brightness alone. Our current methodology combined with existing observational data is useful in describing and inferring the statistical properties of the three-dimensional inhomogeneity in galaxy clusters.

Unmasking the masked Universe: the 2M++ catalogue through Bayesian eyes

NASA Astrophysics Data System (ADS)

Lavaux, Guilhem; Jasche, Jens

2016-01-01

This work describes a full Bayesian analysis of the Nearby Universe as traced by galaxies of the 2M++ survey. The analysis is run in two sequential steps. The first step self-consistently derives the luminosity-dependent galaxy biases, the power spectrum of matter fluctuations and matter density fields within a Gaussian statistic approximation. The second step makes a detailed analysis of the three-dimensional large-scale structures, assuming a fixed bias model and a fixed cosmology. This second step allows for the reconstruction of both the final density field and the initial conditions at z = 1000 assuming a fixed bias model. From these, we derive fields that self-consistently extrapolate the observed large-scale structures. We give two examples of these extrapolation and their utility for the detection of structures: the visibility of the Sloan Great Wall, and the detection and characterization of the Local Void using DIVA, a Lagrangian based technique to classify structures.

Singular-Arc Time-Optimal Trajectory of Aircraft in Two-Dimensional Wind Field

NASA Technical Reports Server (NTRS)

Nguyen, Nhan

2006-01-01

This paper presents a study of a minimum time-to-climb trajectory analysis for aircraft flying in a two-dimensional altitude dependent wind field. The time optimal control problem possesses a singular control structure when the lift coefficient is taken as a control variable. A singular arc analysis is performed to obtain an optimal control solution on the singular arc. Using a time-scale separation with the flight path angle treated as a fast state, the dimensionality of the optimal control solution is reduced by eliminating the lift coefficient control. A further singular arc analysis is used to decompose the original optimal control solution into the flight path angle solution and a trajectory solution as a function of the airspeed and altitude. The optimal control solutions for the initial and final climb segments are computed using a shooting method with known starting values on the singular arc The numerical results of the shooting method show that the optimal flight path angle on the initial and final climb segments are constant. The analytical approach provides a rapid means for analyzing a time optimal trajectory for aircraft performance.

Rapid Prototyping Integrated With Nondestructive Evaluation and Finite Element Analysis

NASA Technical Reports Server (NTRS)

Abdul-Aziz, Ali; Baaklini, George Y.

2001-01-01

Most reverse engineering approaches involve imaging or digitizing an object then creating a computerized reconstruction that can be integrated, in three dimensions, into a particular design environment. Rapid prototyping (RP) refers to the practical ability to build high-quality physical prototypes directly from computer aided design (CAD) files. Using rapid prototyping, full-scale models or patterns can be built using a variety of materials in a fraction of the time required by more traditional prototyping techniques (refs. 1 and 2). Many software packages have been developed and are being designed to tackle the reverse engineering and rapid prototyping issues just mentioned. For example, image processing and three-dimensional reconstruction visualization software such as Velocity2 (ref. 3) are being used to carry out the construction process of three-dimensional volume models and the subsequent generation of a stereolithography file that is suitable for CAD applications. Producing three-dimensional models of objects from computed tomography (CT) scans is becoming a valuable nondestructive evaluation methodology (ref. 4). Real components can be rendered and subjected to temperature and stress tests using structural engineering software codes. For this to be achieved, accurate high-resolution images have to be obtained via CT scans and then processed, converted into a traditional file format, and translated into finite element models. Prototyping a three-dimensional volume of a composite structure by reading in a series of two-dimensional images generated via CT and by using and integrating commercial software (e.g. Velocity2, MSC/PATRAN (ref. 5), and Hypermesh (ref. 6)) is being applied successfully at the NASA Glenn Research Center. The building process from structural modeling to the analysis level is outlined in reference 7. Subsequently, a stress analysis of a composite cooling panel under combined thermomechanical loading conditions was performed to validate this process.

The Reconstruction of Three-Dimensional Morphological and Electrical Paraneters from Two-Dimensional Sections of Neurones

NASA Astrophysics Data System (ADS)

Brawn, A. D.; Wheal, H. V.

1986-07-01

A system is described which can be used to create a three-dimensional model of a neurone from the central nervous system. This model can then be used to obtain quantitative data on the physical and electrical pro, perties of the neurone. Living neurones are either raised in culture, or taken from in vitro preparations of brain tissue and optically sectioned. These two-dimensional sections are digitised, and input to a 68008-based microcomputer. The system reconstructs the three-dimensional structure of the neurone, both geanetrically and electrically. The user can a) View the structure fran any point at any angle b) "Move through" the structure along any given vector c) Nave through" the structure following a neurone process d) Fire the neurone at any point, and "watch" the action potentials propagate e) Vary the parameters of the electrical model of a process element. The system is targeted to a research programme on epilepsy, which makes frequent use of both geometric and electrical neurone modelling. Current techniques which may involve crude histology and two-dimensional drawings have considerable short camings.

POD/MAC-Based Modal Basis Selection for a Reduced Order Nonlinear Response Analysis

NASA Technical Reports Server (NTRS)

Rizzi, Stephen A.; Przekop, Adam

2007-01-01

A feasibility study was conducted to explore the applicability of a POD/MAC basis selection technique to a nonlinear structural response analysis. For the case studied the application of the POD/MAC technique resulted in a substantial improvement of the reduced order simulation when compared to a classic approach utilizing only low frequency modes present in the excitation bandwidth. Further studies are aimed to expand application of the presented technique to more complex structures including non-planar and two-dimensional configurations. For non-planar structures the separation of different displacement components may not be necessary or desirable.

Simplex volume analysis for finding endmembers in hyperspectral imagery

NASA Astrophysics Data System (ADS)

Li, Hsiao-Chi; Song, Meiping; Chang, Chein-I.

2015-05-01

Using maximal simplex volume as an optimal criterion for finding endmembers is a common approach and has been widely studied in the literature. Interestingly, very little work has been reported on how simplex volume is calculated. It turns out that the issue of calculating simplex volume is much more complicated and involved than what we may think. This paper investigates this issue from two different aspects, geometric structure and eigen-analysis. The geometric structure is derived from its simplex structure whose volume can be calculated by multiplying its base with its height. On the other hand, eigen-analysis takes advantage of the Cayley-Menger determinant to calculate the simplex volume. The major issue of this approach is that when the matrix is ill-rank where determinant is desired. To deal with this problem two methods are generally considered. One is to perform data dimensionality reduction to make the matrix to be of full rank. The drawback of this method is that the original volume has been shrunk and the found volume of a dimensionality-reduced simplex is not the real original simplex volume. Another is to use singular value decomposition (SVD) to find singular values for calculating simplex volume. The dilemma of this method is its instability in numerical calculations. This paper explores all of these three methods in simplex volume calculation. Experimental results show that geometric structure-based method yields the most reliable simplex volume.

Analysis of human plasma lipids by using comprehensive two-dimensional gas chromatography with dual detection and with the support of high-resolution time-of-flight mass spectrometry for structural elucidation.

PubMed

Salivo, Simona; Beccaria, Marco; Sullini, Giuseppe; Tranchida, Peter Q; Dugo, Paola; Mondello, Luigi

2015-01-01

The main focus of the present research is the analysis of the unsaponifiable lipid fraction of human plasma by using data derived from comprehensive two-dimensional gas chromatography with dual quadrupole mass spectrometry and flame ionization detection. This approach enabled us to attain both mass spectral information and analyte percentage data. Furthermore, gas chromatography coupled with high-resolution time-of-flight mass spectrometry was used to increase the reliability of identification of several unsaponifiable lipid constituents. The synergism between both the high-resolution gas chromatography and mass spectrometry processes enabled us to attain a more in-depth knowledge of the unsaponifiable fraction of human plasma. Additionally, information was attained on the fatty acid and triacylglycerol composition of the plasma samples, subjected to investigation by using comprehensive two-dimensional gas chromatography with dual quadrupole mass spectrometry and flame ionization detection and high-performance liquid chromatography with atmospheric pressure chemical ionization quadrupole mass spectrometry, respectively. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

User-Defined Material Model for Progressive Failure Analysis

NASA Technical Reports Server (NTRS)

Knight, Norman F. Jr.; Reeder, James R. (Technical Monitor)

2006-01-01

An overview of different types of composite material system architectures and a brief review of progressive failure material modeling methods used for structural analysis including failure initiation and material degradation are presented. Different failure initiation criteria and material degradation models are described that define progressive failure formulations. These progressive failure formulations are implemented in a user-defined material model (or UMAT) for use with the ABAQUS/Standard1 nonlinear finite element analysis tool. The failure initiation criteria include the maximum stress criteria, maximum strain criteria, the Tsai-Wu failure polynomial, and the Hashin criteria. The material degradation model is based on the ply-discounting approach where the local material constitutive coefficients are degraded. Applications and extensions of the progressive failure analysis material model address two-dimensional plate and shell finite elements and three-dimensional solid finite elements. Implementation details and use of the UMAT subroutine are described in the present paper. Parametric studies for composite structures are discussed to illustrate the features of the progressive failure modeling methods that have been implemented.

Retention modelling of polychlorinated biphenyls in comprehensive two-dimensional gas chromatography.

PubMed

D'Archivio, Angelo Antonio; Incani, Angela; Ruggieri, Fabrizio

2011-01-01

In this paper, we use a quantitative structure-retention relationship (QSRR) method to predict the retention times of polychlorinated biphenyls (PCBs) in comprehensive two-dimensional gas chromatography (GC×GC). We analyse the GC×GC retention data taken from the literature by comparing predictive capability of different regression methods. The various models are generated using 70 out of 209 PCB congeners in the calibration stage, while their predictive performance is evaluated on the remaining 139 compounds. The two-dimensional chromatogram is initially estimated by separately modelling retention times of PCBs in the first and in the second column ((1) t (R) and (2) t (R), respectively). In particular, multilinear regression (MLR) combined with genetic algorithm (GA) variable selection is performed to extract two small subsets of predictors for (1) t (R) and (2) t (R) from a large set of theoretical molecular descriptors provided by the popular software Dragon, which after removal of highly correlated or almost constant variables consists of 237 structure-related quantities. Based on GA-MLR analysis, a four-dimensional and a five-dimensional relationship modelling (1) t (R) and (2) t (R), respectively, are identified. Single-response partial least square (PLS-1) regression is alternatively applied to independently model (1) t (R) and (2) t (R) without the need for preliminary GA variable selection. Further, we explore the possibility of predicting the two-dimensional chromatogram of PCBs in a single calibration procedure by using a two-response PLS (PLS-2) model or a feed-forward artificial neural network (ANN) with two output neurons. In the first case, regression is carried out on the full set of 237 descriptors, while the variables previously selected by GA-MLR are initially considered as ANN inputs and subjected to a sensitivity analysis to remove the redundant ones. Results show PLS-1 regression exhibits a noticeably better descriptive and predictive performance than the other investigated approaches. The observed values of determination coefficients for (1) t (R) and (2) t (R) in calibration (0.9999 and 0.9993, respectively) and prediction (0.9987 and 0.9793, respectively) provided by PLS-1 demonstrate that GC×GC behaviour of PCBs is properly modelled. In particular, the predicted two-dimensional GC×GC chromatogram of 139 PCBs not involved in the calibration stage closely resembles the experimental one. Based on the above lines of evidence, the proposed approach ensures accurate simulation of the whole GC×GC chromatogram of PCBs using experimental determination of only 1/3 retention data of representative congeners.

Charge-Induced Saffman-Taylor Instabilities in Toroidal Droplets

NASA Astrophysics Data System (ADS)

Fragkopoulos, A. A.; Aizenman, A.; Fernández-Nieves, A.

2017-06-01

We show that charged toroidal droplets can develop fingerlike structures as they expand due to Saffman-Taylor instabilities. While these are commonly observed in quasi-two-dimensional geometries when a fluid displaces another fluid of higher viscosity, we show that the toroidal confinement breaks the symmetry of the problem, effectively making it quasi-two-dimensional and enabling the instability to develop in this three-dimensional situation. We control the expansion speed of the torus with the imposed electric stress and show that fingers are observed provided the characteristic time scale associated with this instability is smaller than the characteristic time scale associated with Rayleigh-Plateau break-up. We confirm our interpretation of the results by showing that the number of fingers is consistent with expectations from linear stability analysis in radial Hele-Shaw cells.

Experimental Investigation of the Unsteady Flow Structures of Two Interacting Pitching Wings

NASA Astrophysics Data System (ADS)

Kurt, Melike; Moored, Keith

2015-11-01

Birds, insects and fish propel themselves with unsteady motions of their wings and fins. Many of these animals are also found to fly or swim in three-dimensional flocks and schools. Numerous studies have explored the three-dimensional steady flow interactions and the two-dimensional unsteady flow interactions in collectives. Yet, the characterization of the three-dimensional unsteady interactions remains relatively unexplored. This study aims to characterize the flow structures and interactions between two sinusoidally pitching finite-span wings. The arrangement of the wings varies from a tandem to a bi-plane configuration. The vortex structures for these various arrangements are quantified by using particle image velocimetry. The vortex-wing interactions are also characterized as the synchrony between the wings is modified.

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

NASA Technical Reports Server (NTRS)

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

1999-01-01

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

Statistical comparison of coherent structures in fully developed turbulent pipe flow with and without drag reduction

NASA Astrophysics Data System (ADS)

Sogaro, Francesca; Poole, Robert; Dennis, David

2014-11-01

High-speed stereoscopic particle image velocimetry has been performed in fully developed turbulent pipe flow at moderate Reynolds numbers with and without a drag-reducing additive (an aqueous solution of high molecular weight polyacrylamide). Three-dimensional large and very large-scale motions (LSM and VLSM) are extracted from the flow fields by a detection algorithm and the characteristics for each case are statistically compared. The results show that the three-dimensional extent of VLSMs in drag reduced (DR) flow appears to increase significantly compared to their Newtonian counterparts. A statistical increase in azimuthal extent of DR VLSM is observed by means of two-point spatial autocorrelation of the streamwise velocity fluctuation in the radial-azimuthal plane. Furthermore, a remarkable increase in length of these structures is observed by three-dimensional two-point spatial autocorrelation. These results are accompanied by an analysis of the swirling strength in the flow field that shows a significant reduction in strength and number of the vortices for the DR flow. The findings suggest that the damping of the small scales due to polymer addition results in the undisturbed development of longer flow structures.

The properties and causes of rippling in quasi-perpendicular collisionless shock fronts

NASA Astrophysics Data System (ADS)

Lowe, R. E.; Burgess, D.

2003-03-01

The overall structure of quasi-perpendicular, high Mach number collisionless shocks is controlled to a large extent by ion reflection at the shock ramp. Departure from a strictly one-dimensional structure is indicated by simulation results showing that the surface of such shocks is rippled, with variations in the density and all field components. We present a detailed analysis of these shock ripples, using results from a two-dimensional hybrid (particle ions, electron fluid) simulation. The process that generates the ripples is poorly understood, because the large gradients at the shock ramp make it difficult to identify instabilities. Our analysis reveals new features of the shock ripples, which suggest the presence of a surface wave mode dominating the shock normal magnetic field component of the ripples, as well as whistler waves excited by reflected ions.

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

PubMed

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

2017-11-07

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

User's Manual for HPTAM: a Two-Dimensional Heat Pipe Transient Analysis Model, Including the Startup from a Frozen State

NASA Technical Reports Server (NTRS)

Tournier, Jean-Michel; El-Genk, Mohamed S.

1995-01-01

This report describes the user's manual for 'HPTAM,' a two-dimensional Heat Pipe Transient Analysis Model. HPTAM is described in detail in the UNM-ISNPS-3-1995 report which accompanies the present manual. The model offers a menu that lists a number of working fluids and wall and wick materials from which the user can choose. HPTAM is capable of simulating the startup of heat pipes from either a fully-thawed or frozen condition of the working fluid in the wick structure. The manual includes instructions for installing and running HPTAM on either a UNIX, MS-DOS or VMS operating system. Samples for input and output files are also provided to help the user with the code.

Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain.

PubMed

Zhang, Wenrui; Li, Mingtao; Chen, Aiping; Li, Leigang; Zhu, Yuanyuan; Xia, Zhenhai; Lu, Ping; Boullay, Philippe; Wu, Lijun; Zhu, Yimei; MacManus-Driscoll, Judith L; Jia, Quanxi; Zhou, Honghui; Narayan, Jagdish; Zhang, Xinghang; Wang, Haiyan

2016-07-06

Study of layered complex oxides emerge as one of leading topics in fundamental materials science because of the strong interplay among intrinsic charge, spin, orbital, and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials that exhibit new phenomena beyond their conventional forms. Here, we report a strain-driven self-assembly of bismuth-based supercell (SC) with a two-dimensional (2D) layered structure. With combined experimental analysis and first-principles calculations, we investigated the full SC structure and elucidated the fundamental growth mechanism achieved by the strain-enabled self-assembled atomic layer stacking. The unique SC structure exhibits room-temperature ferroelectricity, enhanced magnetic responses, and a distinct optical bandgap from the conventional double perovskite structure. This study reveals the important role of interfacial strain modulation and atomic rearrangement in self-assembling a layered singe-phase multiferroic thin film, which opens up a promising avenue in the search for and design of novel 2D layered complex oxides with enormous promise.

Nanoscale insights on one- and two-dimensional material structures

NASA Astrophysics Data System (ADS)

Floresca, Herman Carlo

The race for smaller, faster and more efficient devices has led researchers to explore the possibilities of utilizing nanostructures for scaling. These one-dimensional and two-dimensional materials have properties that are attractive for this purpose but are still not well controlled. Control comes with a complete understanding of the materials' electrical, thermal, optical and structural characteristics but is difficult to obtain due to their small scale. This work is intended to help researchers overcome the difficulty in studying nanostructures by providing techniques for analysis and insights of nanostructures that have not been previously available. Two nanostructures were studied: silicon nanowires and graphene. The nanowires were prepared for cross-section transmission electron microscopy (TEM) to discover the effects that controlled oxidation has on the dimensions and shape of the nanowires. Since cross-section TEM is not able to provide information about surface structure, a method for manipulating the wires with orientation control was developed. With this ability, all three orthogonal views of the nanowire were compiled for a comprehensive study on its structure in terms of shape and surface roughness. Graphene was used for a two-dimensional analytical technique that took advantage of customized computer programs for data acquisition, measurement and display. With the information provided, distinctions between grain boundary types in polycrystalline graphene were made and supported by statistical information from the software's output. It was also applied to a growth series of graphene samples in conjunction with scanning electron microscopy (SEM) images and electron backscatter diffraction (EBSD) maps. The results help point to origins of graphene's polycrystalline nature. This dissertation concludes with a thought towards the future by highlighting a method that can help analyze nanostructures, which may become incorporated into the structures of large devices. The fold-out method is a TEM sample preparation technique utilizing a focused ion beam (FIB) for site specific thinning across a large sample area. Its process is demonstrated along with advantages over conventional methods.

Syntheses, crystal structures, and properties of four complexes based on polycarboxylate and imidazole ligands

NASA Astrophysics Data System (ADS)

Qiao, Rui; Chen, Shui-Sheng; Sheng, Liang-Quan; Yang, Song; Li, Wei-Dong

2015-08-01

Four metal-organic coordination polymers [Zn(HL)(H2O)]·4H2O (1), [Zn(HL)(L1)]·4H2O (2), [Cu(HL)(H2O)]·3H2O (3) and [Cu(HL)(L1)]·5H2O (4) were synthesized by reactions of the corresponding metal(II) salts with semirigid polycarboxylate ligand (5-((4-carboxypiperidin-1-yl)methyl)isophthalic acid hydrochloride, H3L·HCl) or auxiliary ligand (1,4-di(1H-imidazol-4-yl)benzene, L1). The structures of the compounds were characterized by elemental analysis, FT-IR spectroscopy and single-crystal X-ray diffraction. The use of auxiliary ligand L1 has great influence on the structures of two pairs of complexes 1, 2 and 3, 4. Complex 1 is a uninodal 3-connected rare 2-fold interpenetrating ZnSc net with a Point (Schlafli) symbol of (103) while 2 is a one-dimensional (1D) ladder structure. Compound 3 features a two-dimensional (2D) honeycomb network with typical 63-hcb topology, while 4 is 2D network with (4, 4) sql topology based on binuclear CuII subunits. The non-covalent bonding interactions such as hydrogen bonds, π···π stacking and C-H···π exist in complexes 1-4, which contributes to stabilize crystal structure and extend the low-dimensional entities into high-dimensional frameworks. And the photoluminescent property of 1 and 2 and gas sorption property of 4 have been investigated.

Ullmann-like reactions for the synthesis of complex two-dimensional materials

NASA Astrophysics Data System (ADS)

Quardokus, Rebecca C.; Tewary, V. K.; DelRio, Frank W.

2016-11-01

Engineering two-dimensional materials through surface-confined synthetic techniques is a promising avenue for designing new materials with tailored properties. Developing and understanding reaction mechanisms for surface-confined synthesis of two-dimensional materials requires atomic-level characterization and chemical analysis. Beggan et al (2015 Nanotechnology 26 365602) used scanning tunneling microscopy and x-ray photoelectron spectroscopy to elucidate the formation mechanism of surface-confined Ullmann-like coupling of thiophene substituted porphyrins on Ag(111). Upon surface deposition, bromine is dissociated and the porphyrins couple with surface adatoms to create linear strands and hexagonally packed molecules. Annealing the sample results in covalently-bonded networks of thienylporphyrin derivatives. A deeper understanding of surface-confined Ullmann-like coupling has the potential to lead to precision-engineered nano-structures through synthetic techniques. Contribution of the National Institute of Standards and Technology, not subject to copyright in the United States of America.

Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.

PubMed

van Agthoven, Maria A; Barrow, Mark P; Chiron, Lionel; Coutouly, Marie-Aude; Kilgour, David; Wootton, Christopher A; Wei, Juan; Soulby, Andrew; Delsuc, Marc-André; Rolando, Christian; O'Connor, Peter B

2015-12-01

Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry is a data-independent analytical method that records the fragmentation patterns of all the compounds in a sample. This study shows the implementation of atmospheric pressure photoionization with two-dimensional (2D) Fourier transform ion cyclotron resonance mass spectrometry. In the resulting 2D mass spectrum, the fragmentation patterns of the radical and protonated species from cholesterol are differentiated. This study shows the use of fragment ion lines, precursor ion lines, and neutral loss lines in the 2D mass spectrum to determine fragmentation mechanisms of known compounds and to gain information on unknown ion species in the spectrum. In concert with high resolution mass spectrometry, 2D Fourier transform ion cyclotron resonance mass spectrometry can be a useful tool for the structural analysis of small molecules. Graphical Abstract ᅟ.

Structural Analysis Methods for Structural Health Management of Future Aerospace Vehicles

NASA Technical Reports Server (NTRS)

Tessler, Alexander

2007-01-01

Two finite element based computational methods, Smoothing Element Analysis (SEA) and the inverse Finite Element Method (iFEM), are reviewed, and examples of their use for structural health monitoring are discussed. Due to their versatility, robustness, and computational efficiency, the methods are well suited for real-time structural health monitoring of future space vehicles, large space structures, and habitats. The methods may be effectively employed to enable real-time processing of sensing information, specifically for identifying three-dimensional deformed structural shapes as well as the internal loads. In addition, they may be used in conjunction with evolutionary algorithms to design optimally distributed sensors. These computational tools have demonstrated substantial promise for utilization in future Structural Health Management (SHM) systems.

Aligning Microtomography Analysis with Traditional Anatomy for a 3D Understanding of the Host-Parasite Interface – Phoradendron spp. Case Study

PubMed Central

Teixeira-Costa, Luíza; Ceccantini, Gregório C. T.

2016-01-01

The complex endophytic structure formed by parasitic plant species often represents a challenge in the study of the host-parasite interface. Even with the large amounts of anatomical slides, a three-dimensional comprehension of the structure may still be difficult to obtain. In the present study we applied the High Resolution X-ray Computed Tomography (HRXCT) analysis along with usual plant anatomy techniques in order to compare the infestation pattern of two mistletoe species of the genus Phoradendron. Additionally, we tested the use of contrasting solutions in order to improve the detection of the parasite’s endophytic tissue. To our knowledge, this is the first study to show the three-dimensional structure of host-mistletoe interface by using HRXCT technique. Results showed that Phoradendron perrottetii growing on the host Tapirira guianensis forms small woody galls with a restricted endophytic system. The sinkers were short and eventually grouped creating a continuous interface with the host wood. On the other hand, the long sinkers of P. bathyoryctum penetrate deeply into the wood of Cedrela fissilis branching in all directions throughout the woody gall area, forming a spread-out infestation pattern. The results indicate that the HRXCT is indeed a powerful approach to understand the endophytic system of parasitic plants. The combination of three-dimensional models of the infestation with anatomical analysis provided a broader understanding of the host-parasite connection. Unique anatomic features are reported for the sinkes of P. perrottetii, while the endophytic tissue of P. bathyoryctum conformed to general anatomy observed for other species of this genus. These differences are hypothesized to be related to the three-dimensional structure of each endophytic system and the communication stablished with the host. PMID:27630661

Population activity structure of excitatory and inhibitory neurons

PubMed Central

Doiron, Brent

2017-01-01

Many studies use population analysis approaches, such as dimensionality reduction, to characterize the activity of large groups of neurons. To date, these methods have treated each neuron equally, without taking into account whether neurons are excitatory or inhibitory. We studied population activity structure as a function of neuron type by applying factor analysis to spontaneous activity from spiking networks with balanced excitation and inhibition. Throughout the study, we characterized population activity structure by measuring its dimensionality and the percentage of overall activity variance that is shared among neurons. First, by sampling only excitatory or only inhibitory neurons, we found that the activity structures of these two populations in balanced networks are measurably different. We also found that the population activity structure is dependent on the ratio of excitatory to inhibitory neurons sampled. Finally we classified neurons from extracellular recordings in the primary visual cortex of anesthetized macaques as putative excitatory or inhibitory using waveform classification, and found similarities with the neuron type-specific population activity structure of a balanced network with excitatory clustering. These results imply that knowledge of neuron type is important, and allows for stronger statistical tests, when interpreting population activity structure. PMID:28817581

Method for making a bio-compatible scaffold

DOEpatents

Cesarano, III, Joseph; Stuecker, John N [Albuquerque, NM; Dellinger, Jennifer G [Champaigne, IL; Jamison, Russell D [Urbana, IL

2006-01-31

A method for forming a three-dimensional, biocompatible, porous scaffold structure using a solid freeform fabrication technique (referred to herein as robocasting) that can be used as a medical implant into a living organism, such as a human or other mammal. Imaging technology and analysis is first used to determine the three-dimensional design required for the medical implant, such as a bone implant or graft, fashioned as a three-dimensional, biocompatible scaffold structure. The robocasting technique is used to either directly produce the three-dimensional, porous scaffold structure or to produce an over-sized three-dimensional, porous scaffold lattice which can be machined to produce the designed three-dimensional, porous scaffold structure for implantation.

Two novel zinc(II) coordination polymers constructed from in situ amidation ligands

NASA Astrophysics Data System (ADS)

Yu, Xiao-Yang; Fu, Yao; Fu, Jian-Tao; Xu, Jia-Ning; Luo, Ya-Nan; Yang, Yan-Yan; Qu, Xiao-Shu; Zhang, Jing; Lu, Shu-Lai

2018-04-01

Two novel coordination compounds, [Zn(Hbimh) (H2O)]·H2O (1) and [Zn(Hbimh)]·(4,4ʹ-bpy)0.5 (2) (H3bimh = benzimidazole-5,6-hydrazide, 4,4ʹ-bpy = 4,4ʹ-bipyridine), have been prepared from the hydrothermal in situ amidation cyclization reactions of H3bimdc (H3bimdc = benzimidazole-5,6-dicarboxylic acid) and hydrazine hydrate (N2H4·H2O). Compound 1 exhibits a one-dimensional (1D) hexagon channel structure. Compound 2 is a three-dimensional (3D) framework structure, with 4,4ʹ-bpy fill the channels. We also obtained the ligand H3bimh. The compounds were characterized by IR, PXRD, TGA and elemental analysis. The fluorescence properties in the solid state at room temperature were also investigated.

Numerical viscosity and resolution of high-order weighted essentially nonoscillatory schemes for compressible flows with high Reynolds numbers.

PubMed

Zhang, Yong-Tao; Shi, Jing; Shu, Chi-Wang; Zhou, Ye

2003-10-01

A quantitative study is carried out in this paper to investigate the size of numerical viscosities and the resolution power of high-order weighted essentially nonoscillatory (WENO) schemes for solving one- and two-dimensional Navier-Stokes equations for compressible gas dynamics with high Reynolds numbers. A one-dimensional shock tube problem, a one-dimensional example with parameters motivated by supernova and laser experiments, and a two-dimensional Rayleigh-Taylor instability problem are used as numerical test problems. For the two-dimensional Rayleigh-Taylor instability problem, or similar problems with small-scale structures, the details of the small structures are determined by the physical viscosity (therefore, the Reynolds number) in the Navier-Stokes equations. Thus, to obtain faithful resolution to these small-scale structures, the numerical viscosity inherent in the scheme must be small enough so that the physical viscosity dominates. A careful mesh refinement study is performed to capture the threshold mesh for full resolution, for specific Reynolds numbers, when WENO schemes of different orders of accuracy are used. It is demonstrated that high-order WENO schemes are more CPU time efficient to reach the same resolution, both for the one-dimensional and two-dimensional test problems.

Process metallurgy simulation for metal drawing process optimization by using two-scale finite element method

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

Nakamachi, Eiji; Yoshida, Takashi; Yamaguchi, Toshihiko

2014-10-06

We developed two-scale FE analysis procedure based on the crystallographic homogenization method by considering the hierarchical structure of poly-crystal aluminium alloy metal. It can be characterized as the combination of two-scale structure, such as the microscopic polycrystal structure and the macroscopic elastic plastic continuum. Micro polycrystal structure can be modeled as a three dimensional representative volume element (RVE). RVE is featured as by 3×3×3 eight-nodes solid finite elements, which has 216 crystal orientations. This FE analysis code can predict the deformation, strain and stress evolutions in the wire drawing processes in the macro- scales, and further the crystal texture andmore » hardening evolutions in the micro-scale. In this study, we analyzed the texture evolution in the wire drawing processes by our two-scale FE analysis code under conditions of various drawing angles of dice. We evaluates the texture evolution in the surface and center regions of the wire cross section, and to clarify the effects of processing conditions on the texture evolution.« less

Process metallurgy simulation for metal drawing process optimization by using two-scale finite element method

NASA Astrophysics Data System (ADS)

Nakamachi, Eiji; Yoshida, Takashi; Kuramae, Hiroyuki; Morimoto, Hideo; Yamaguchi, Toshihiko; Morita, Yusuke

2014-10-01

We developed two-scale FE analysis procedure based on the crystallographic homogenization method by considering the hierarchical structure of poly-crystal aluminium alloy metal. It can be characterized as the combination of two-scale structure, such as the microscopic polycrystal structure and the macroscopic elastic plastic continuum. Micro polycrystal structure can be modeled as a three dimensional representative volume element (RVE). RVE is featured as by 3×3×3 eight-nodes solid finite elements, which has 216 crystal orientations. This FE analysis code can predict the deformation, strain and stress evolutions in the wire drawing processes in the macro- scales, and further the crystal texture and hardening evolutions in the micro-scale. In this study, we analyzed the texture evolution in the wire drawing processes by our two-scale FE analysis code under conditions of various drawing angles of dice. We evaluates the texture evolution in the surface and center regions of the wire cross section, and to clarify the effects of processing conditions on the texture evolution.

Prediction of axial limit capacity of stone columns using dimensional analysis

NASA Astrophysics Data System (ADS)

Nazaruddin A., T.; Mohamed, Zainab; Mohd Azizul, L.; Hafez M., A.

2017-08-01

Stone column is the most favorable method used by engineers in designing work for stabilization of soft ground for road embankment, and foundation for liquid structure. Easy installation and cheaper cost are among the factors that make stone column more preferable than other method. Furthermore, stone column also can acts as vertical drain to increase the rate of consolidation during preloading stage before construction work started. According to previous studied there are several parameters that influence the capacity of stone column. Among of them are angle friction of among the stones, arrangement of column (two pattern arrangement most applied triangular and square), spacing center to center between columns, shear strength of soil, and physical size of column (diameter and length). Dimensional analysis method (Buckingham-Pi Theorem) has used to carry out the new formula for prediction of load capacity stone columns. Experimental data from two previous studies was used for analysis of study.

JOINT AND INDIVIDUAL VARIATION EXPLAINED (JIVE) FOR INTEGRATED ANALYSIS OF MULTIPLE DATA TYPES.

PubMed

Lock, Eric F; Hoadley, Katherine A; Marron, J S; Nobel, Andrew B

2013-03-01

Research in several fields now requires the analysis of datasets in which multiple high-dimensional types of data are available for a common set of objects. In particular, The Cancer Genome Atlas (TCGA) includes data from several diverse genomic technologies on the same cancerous tumor samples. In this paper we introduce Joint and Individual Variation Explained (JIVE), a general decomposition of variation for the integrated analysis of such datasets. The decomposition consists of three terms: a low-rank approximation capturing joint variation across data types, low-rank approximations for structured variation individual to each data type, and residual noise. JIVE quantifies the amount of joint variation between data types, reduces the dimensionality of the data, and provides new directions for the visual exploration of joint and individual structure. The proposed method represents an extension of Principal Component Analysis and has clear advantages over popular two-block methods such as Canonical Correlation Analysis and Partial Least Squares. A JIVE analysis of gene expression and miRNA data on Glioblastoma Multiforme tumor samples reveals gene-miRNA associations and provides better characterization of tumor types.

Analysing the magnetopause internal structure: new possibilities offered by MMS

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Quantum oscillations in dual-layered quasi-two-dimensional organic metal (ET){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2})

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

Lyubovskii, R. B.; Pesotskii, S. I., E-mail: pesot@icp.ac.ru; Shilov, G. V.

2016-08-15

The behavior of de Haas–van Alfven (dHvA) and Shubnikov–de Haas (ShdH) quantum oscillations in dual-layered quasi-two-dimensional organic metal (ET){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2}) is investigated. The oscillation spectra qualitatively agree with theoretical calculations of the bandgap structure. The angular dependence of the oscillation amplitude of magnetoresistance contains “spin zeros”; the analysis of the location of these zeros allows one to evaluate the electron–phonon interaction constant: λ ≈ 0.2.

Ranges of Applicability for the Continuum-beam Model in the Constitutive Analysis of Carbon Nanotubes: Nanotubes or Nano-beams?

NASA Technical Reports Server (NTRS)

Harik, Vasyl Michael; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

Ranges of validity for the continuum-beam model, the length-scale effects and continuum assumptions are analyzed in the framework of scaling analysis of NT structure. Two coupled criteria for the applicability of the continuum model are presented. Scaling analysis of NT buckling and geometric parameters (e.g., diameter and length) is carried out to determine the key non-dimensional parameters that control the buckling strains and modes of NT buckling. A model applicability map, which represents two classes of NTs, is constructed in the space of non-dimensional parameters. In an analogy with continuum mechanics, a mechanical law of geometric similitude is presented for two classes of beam-like NTs having different geometries. Expressions for the critical buckling loads and strains are tailored for the distinct groups of NTs and compared with the data provided by the molecular dynamics simulations. Implications for molecular dynamics simulations and the NT-based scanning probes are discussed.

Impact of comprehensive two-dimensional gas chromatography with mass spectrometry on food analysis.

PubMed

Tranchida, Peter Q; Purcaro, Giorgia; Maimone, Mariarosa; Mondello, Luigi

2016-01-01

Comprehensive two-dimensional gas chromatography with mass spectrometry has been on the separation-science scene for about 15 years. This three-dimensional method has made a great positive impact on various fields of research, and among these that related to food analysis is certainly at the forefront. The present critical review is based on the use of comprehensive two-dimensional gas chromatography with mass spectrometry in the untargeted (general qualitative profiling and fingerprinting) and targeted analysis of food volatiles; attention is focused not only on its potential in such applications, but also on how recent advances in comprehensive two-dimensional gas chromatography with mass spectrometry will potentially be important for food analysis. Additionally, emphasis is devoted to the many instances in which straightforward gas chromatography with mass spectrometry is a sufficiently-powerful analytical tool. Finally, possible future scenarios in the comprehensive two-dimensional gas chromatography with mass spectrometry food analysis field are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cost-effective MEMS piezoresistive cantilever-based sensor fabrication for gait movement analysis

NASA Astrophysics Data System (ADS)

Saadon, Salem; Anuar, A. F. M.; Wahab, Yufridin

2017-03-01

The conventional photolithography of crystalline silicon technique is limited to two-dimensional and structure scaling. It's also requiring a lot of time and chemical involves for the whole process. These problems can be overcome by using laser micromachining technique, that capable to produce three-dimensional structure and simultaneously avoiding the photo mask needs. In this paper, we reported on the RapidX-250 Excimer laser micromachining with 248 nm KrF to create in-time mask design and assisting in the fabrication process of piezo-resistive micro cantilever structures. Firstly, laser micromachining parameters have been investigated in order to fabricate the acceleration sensor to analyzing human gait movement. Preliminary result shows that the fabricated sensor able to define the movement difference of human motion regarding the electrical characteristic of piezo-resistor.

A study of the effects of degraded imagery on tactical 3D model generation using structure-from-motion

NASA Astrophysics Data System (ADS)

Bolick, Leslie; Harguess, Josh

2016-05-01

An emerging technology in the realm of airborne intelligence, surveillance, and reconnaissance (ISR) systems is structure-from-motion (SfM), which enables the creation of three-dimensional (3D) point clouds and 3D models from two-dimensional (2D) imagery. There are several existing tools, such as VisualSFM and open source project OpenSfM, to assist in this process, however, it is well-known that pristine imagery is usually required to create meaningful 3D data from the imagery. In military applications, such as the use of unmanned aerial vehicles (UAV) for surveillance operations, imagery is rarely pristine. Therefore, we present an analysis of structure-from-motion packages on imagery that has been degraded in a controlled manner.

Analysis of band structure, transmission properties, and dispersion behavior of THz wave in one-dimensional parabolic plasma photonic crystal

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

Askari, Nasim; Eslami, Esmaeil, E-mail: eeslami@iust.ac.ir; Mirzaie, Reza

2015-11-15

The photonic band gap of obliquely incident terahertz electromagnetic waves in a one-dimensional plasma photonic crystal is studied. The periodic structure consists of lossless dielectric and inhomogeneous plasma with a parabolic density profile. The dispersion relation and the THz wave transmittance are analyzed based on the electromagnetic equations and transfer matrix method. The dependence of effective plasma frequency and photonic band gap characteristics on dielectric and plasma thickness, plasma density, and incident angle are discussed in detail. A theoretical calculation for effective plasma frequency is presented and compared with numerical results. Results of these two methods are in good agreement.

Kinematic synthesis of bevel-gear-type robotic wrist mechanisms

NASA Astrophysics Data System (ADS)

Lin, Chen-Chou

Bevel-gear-type robotic wrist mechanisms are commonly used in industry. The reasons for their popularity are that they are compact, light-weight, and relatively inexpensive. However, there are singularities in their workspace, which substantially degrade their manipulative performance. The objective of this research is to develop an atlas of three-degree-of-freedom bevel-gear-type wrist mechanisms, and through dimensional synthesis to improve their kinematic performance. The dissertation contains two major parts: the first is structural analysis and synthesis, the other is kinematic analysis and dimensional synthesis. To synthesize the kinematic structures of bevel-gear-type wrist mechanisms, the kinematic structures are separated from their functional considerations. All kinematic structures which satisfy the mobility condition are enumerated in an unbiased, systematic manner. Then the bevel-gear-type wrist mechanisms are identified by applying the functional requirements. Structural analysis shows that a three-degree-of-freedom wrist mechanism usually consists of non-fractionated, two degree-of-freedom epicyclic gear train jointed with the base link. Therefore, the structural synthesis can be simplified into a problem of examining the atlas of non-fractionated, two-degree-of-freedom epicyclic gear trains. The resulting bevel-gear-type wrist mechanism has been categorized and evaluated. It is shown that three-degree-of-freedom, four-jointed wrist mechanisms are promising for further improving the kinematic performance. It is found that a spherical planetary gear train is necessarily imbedded in a three-degree-of-freedom, four-jointed wrist mechanism. Therefore, to study the workspace and singularity problems of three-degree-of-freedom four-jointed spherical wrist mechanisms, we have to study the trajectories of spherical planetary gear trains. The parametric equations of the trajectories and some useful geometric properties for the analysis and synthesis of workplace are derived. The workspace boundary equations can be derived via both geometric consideration and Jacobian analysis. The workspace is divided by inner and outer boundaries into regions of accessibility of zero, two, and four. The design criteria of full workspace and a maximum four-root region are established.

Visual Exploration of Semantic Relationships in Neural Word Embeddings

DOE PAGES

Liu, Shusen; Bremer, Peer-Timo; Thiagarajan, Jayaraman J.; ...

2017-08-29

Constructing distributed representations for words through neural language models and using the resulting vector spaces for analysis has become a crucial component of natural language processing (NLP). But, despite their widespread application, little is known about the structure and properties of these spaces. To gain insights into the relationship between words, the NLP community has begun to adapt high-dimensional visualization techniques. Particularly, researchers commonly use t-distributed stochastic neighbor embeddings (t-SNE) and principal component analysis (PCA) to create two-dimensional embeddings for assessing the overall structure and exploring linear relationships (e.g., word analogies), respectively. Unfortunately, these techniques often produce mediocre or evenmore » misleading results and cannot address domain-specific visualization challenges that are crucial for understanding semantic relationships in word embeddings. We introduce new embedding techniques for visualizing semantic and syntactic analogies, and the corresponding tests to determine whether the resulting views capture salient structures. Additionally, we introduce two novel views for a comprehensive study of analogy relationships. Finally, we augment t-SNE embeddings to convey uncertainty information in order to allow a reliable interpretation. Combined, the different views address a number of domain-specific tasks difficult to solve with existing tools.« less

Visual Exploration of Semantic Relationships in Neural Word Embeddings

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

Liu, Shusen; Bremer, Peer-Timo; Thiagarajan, Jayaraman J.

Constructing distributed representations for words through neural language models and using the resulting vector spaces for analysis has become a crucial component of natural language processing (NLP). But, despite their widespread application, little is known about the structure and properties of these spaces. To gain insights into the relationship between words, the NLP community has begun to adapt high-dimensional visualization techniques. Particularly, researchers commonly use t-distributed stochastic neighbor embeddings (t-SNE) and principal component analysis (PCA) to create two-dimensional embeddings for assessing the overall structure and exploring linear relationships (e.g., word analogies), respectively. Unfortunately, these techniques often produce mediocre or evenmore » misleading results and cannot address domain-specific visualization challenges that are crucial for understanding semantic relationships in word embeddings. We introduce new embedding techniques for visualizing semantic and syntactic analogies, and the corresponding tests to determine whether the resulting views capture salient structures. Additionally, we introduce two novel views for a comprehensive study of analogy relationships. Finally, we augment t-SNE embeddings to convey uncertainty information in order to allow a reliable interpretation. Combined, the different views address a number of domain-specific tasks difficult to solve with existing tools.« less

EpitopeViewer: a Java application for the visualization and analysis of immune epitopes in the Immune Epitope Database and Analysis Resource (IEDB).

PubMed

Beaver, John E; Bourne, Philip E; Ponomarenko, Julia V

2007-02-21

Structural information about epitopes, particularly the three-dimensional (3D) structures of antigens in complex with immune receptors, presents a valuable source of data for immunology. This information is available in the Protein Data Bank (PDB) and provided in curated form by the Immune Epitope Database and Analysis Resource (IEDB). With continued growth in these data and the importance in understanding molecular level interactions of immunological interest there is a need for new specialized molecular visualization and analysis tools. The EpitopeViewer is a platform-independent Java application for the visualization of the three-dimensional structure and sequence of epitopes and analyses of their interactions with antigen-specific receptors of the immune system (antibodies, T cell receptors and MHC molecules). The viewer renders both 3D views and two-dimensional plots of intermolecular interactions between the antigen and receptor(s) by reading curated data from the IEDB and/or calculated on-the-fly from atom coordinates from the PDB. The 3D views and associated interactions can be saved for future use and publication. The EpitopeViewer can be accessed from the IEDB Web site http://www.immuneepitope.org through the quick link 'Browse Records by 3D Structure.' The EpitopeViewer is designed and been tested for use by immunologists with little or no training in molecular graphics. The EpitopeViewer can be launched from most popular Web browsers without user intervention. A Java Runtime Environment (RJE) 1.4.2 or higher is required.

Magnetotelluric investigation of the geothermal anomaly in Hailin, Mudanjiang, northeastern China

NASA Astrophysics Data System (ADS)

Zhang, Lili; Hao, Tianyao; Xiao, Qibin; Wang, Jie; Zhou, Liang; Qi, Min; Cui, Xiangpan; Cai, Ningxiao

2015-07-01

To study the occurrence conditions and locations of geothermal bodies in Hailin, Mudanjiang, northeastern China, we conducted a magnetotelluric investigation to delineate the electrical conductivity structure of the area on three parallel profiles. The area to the west of the Mudanjiang Fault lies in the Hailang sag of the Ning'an Basin. The data were processed using the mutual reference technique, static shift correction, and structural strike and dimensionality analysis based on tensor decomposition. Moreover, a modified anisotropic-diffusion-based method was used to suppress noise for the magnetotelluric time series data. This method retains the advantages of conventional anisotropic diffusion and is superior in its discrimination ability. The method is characteristic not only of the inherited features such as intra-region smoothing and edge preservation, but also of the adaptive selection of the diffusion coefficient. Data analysis revealed that the electrical resistivity structure can be approximated by a two-dimensional characterization. Two-dimensional inversion and rendering visualization show that a highly resistive granite basement is covered with conductive sedimentary layers and that a relatively low-resistivity anomalous structure with a resistivity of approximately 100-600 Ω·m is imbedded in the high-resistivity background. The anomalous structure has a narrow top and a wide bottom (the bottom depth is at least 3500 m). The shape and electrical features of the structure indicate favorable storage space for hot subsurface water. Fault activities and magma intrusion may result in the fractures of the basement, which are filled with hot water and thus produce the relatively low resistivity. Based on a comprehensive analysis, we infer that the structure is indicative of a geothermal reservoir. An exploratory well drilled near the structure confirms the occurrence of high temperatures. Several geological factors (cap rock, basement, and major faults) determine the favorable geothermal conditions of the reservoir. Large areas of granite form the major thermal source for the study area. The Mudanjiang and Hailang River Faults and their subsidiary faults provide another heat source and movement channels.

Wavelet analysis in two-dimensional tomography

NASA Astrophysics Data System (ADS)

Burkovets, Dimitry N.

2002-02-01

The diagnostic possibilities of wavelet-analysis of coherent images of connective tissue in its pathological changes diagnostics. The effectiveness of polarization selection in obtaining wavelet-coefficients' images is also shown. The wavelet structures, characterizing the process of skin psoriasis, bone-tissue osteoporosis have been analyzed. The histological sections of physiological normal and pathologically changed samples of connective tissue of human skin and spongy bone tissue have been analyzed.

Direct Numerical Simulation of a Temporally Evolving Incompressible Plane Wake: Effect of Initial Conditions on Evolution and Topology

NASA Technical Reports Server (NTRS)

Sondergaard, R.; Cantwell, B.; Mansour, N.

1997-01-01

Direct numerical simulations have been used to examine the effect of the initial disturbance field on the development of three-dimensionality and the transition to turbulence in the incompressible plane wake. The simulations were performed using a new numerical method for solving the time-dependent, three-dimensional, incompressible Navier-Stokes equations in flows with one infinite and two periodic directions. The method uses standard Fast Fourier Transforms and is applicable to cases where the vorticity field is compact in the infinite direction. Initial disturbances fields examined were combinations of two-dimensional waves and symmetric pairs of 60 deg oblique waves at the fundamental, subharmonic, and sub-subharmonic wavelengths. The results of these simulations indicate that the presence of 60 deg disturbances at the subharmonic streamwise wavelength results in the development of strong coherent three-dimensional structures. The resulting strong three-dimensional rate-of-strain triggers the growth of intense fine scale motions. Wakes initiated with 60 deg disturbances at the fundamental streamwise wavelength develop weak coherent streamwise structures, and do not develop significant fine scale motions, even at high Reynolds numbers. The wakes which develop strong three-dimensional structures exhibit growth rates on par with experimentally observed turbulent plane wakes. Wakes which develop only weak three-dimensional structures exhibit significantly lower late time growth rates. Preliminary studies of wakes initiated with an oblique fundamental and a two-dimensional subharmonic, which develop asymmetric coherent oblique structures at the subharmonic wavelength, indicate that significant fine scale motions only develop if the resulting oblique structures are above an angle of approximately 45 deg.

Two dimensional disorder in black phosphorus and layered monochalcogenides

NASA Astrophysics Data System (ADS)

Barraza-Lopez, Salvador; Mehboudi, Mehrshad; Kumar, Pradeep; Harriss, Edmund O.; Churchill, Hugh O. H.; Dorio, Alex M.; Zhu, Wenjuan; van der Zande, Arend; Pacheco Sanjuan, Alejandro A.

The degeneracies of the structural ground state of materials with a layered orthorhombic structure such as black phosphorus and layered monochalcogenides GeS, GeSe, SnS, and SnSe, lead to an order/disorder transition in two dimensions at finite temperature. This transition has consequences on applications based on these materials requiring a crystalline two-dimensional structure. Details including a Potts model that explains the two-dimensional transition, among other results, will be given in this talk. References: M. Mehboudi, A.M. Dorio, W. Zhu, A. van der Zande, H.O.H. Churchill, A.A. Pacheco Sanjuan, E.O.H. Harris, P. Kumar, and S. Barraza-Lopez. arXiv:1510.09153.

Waterlike anomalies in a two-dimensional core-softened potential

NASA Astrophysics Data System (ADS)

Bordin, José Rafael; Barbosa, Marcia C.

2018-02-01

We investigate the structural, thermodynamic, and dynamic behavior of a two-dimensional (2D) core-corona system using Langevin dynamics simulations. The particles are modeled by employing a core-softened potential which exhibits waterlike anomalies in three dimensions. In previous studies in a quasi-2D system a new region in the pressure versus temperature phase diagram of structural anomalies was observed. Here we show that for the two-dimensional case two regions in the pressure versus temperature phase diagram with structural, density, and diffusion anomalies are observed. Our findings indicate that, while the anomalous region at lower densities is due the competition between the two length scales in the potential at higher densities, the anomalous region is related to the reentrance of the melting line.

Structural Analysis of MoS2 and other 2D layered materials using LEEM/LEED-I(V) and STM

NASA Astrophysics Data System (ADS)

Grady, Maxwell; Dai, Zhongwei; Jin, Wencan; Dadap, Jerry; Osgood, Richard; Sadowski, Jerzy; Pohl, Karsten

Layered two-dimensional materials, such as molybdenum disulfide, MoS2, are of interest for the development of many types of novel electronic devices. To fully understand the interfaces between these new materials, the atomic reconstructions at their surfaces must be understood. Low Energy Electron Microscopy and Diffraction, LEEM/ μLEED, present a unique method for rapid material characterization in real space and reciprocal space with high resolution. Here we present a study of the surface structure of 2H-MoS2 using μLEED intensity-voltage analysis. To aid this analysis, software is under development to automate the procedure of extracting I(V) curves from LEEM and LEED data. When matched with computational modeling, this data provides information with angstrom level resolution concerning the three dimensional atomic positions. We demonstrate that the surface structure of bulk MoS2 is distinct from the bulk crystal structure and exhibits a smaller surface relaxation at 320K compared to previous results at 95K. Furthermore, suspended monolayer samples exhibit large interlayer relaxations compared to the bulk surface termination. Further techniques for refining layer thickness determination are under development.

Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysis

NASA Astrophysics Data System (ADS)

Woolfrey, John R.; Avery, Mitchell A.; Doweyko, Arthur M.

1998-03-01

Two three-dimensional quantitative structure-activity relationship (3D-QSAR) methods, comparative molecular field analysis (CoMFA) and hypothetical active site lattice (HASL), were compared with respect to the analysis of a training set of 154 artemisinin analogues. Five models were created, including a complete HASL and two trimmed versions, as well as two CoMFA models (leave-one-out standard CoMFA and the guided-region selection protocol). Similar r2 and q2 values were obtained by each method, although some striking differences existed between CoMFA contour maps and the HASL output. Each of the four predictive models exhibited a similar ability to predict the activity of a test set of 23 artemisinin analogues, although some differences were noted as to which compounds were described well by either model.

A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties

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

Wang, Jin-Hua; Tang, Gui-Mei, E-mail: meiguit@163.com; Qin, Ting-Xiao

2014-11-15

Four new metal coordination complexes, namely, [Na(BTA)]{sub n} (1), [K{sub 2}(BTA){sub 2}(μ{sub 2}-H{sub 2}O)]{sub n} (2), and [M(BTA){sub 2}(H{sub 2}O){sub 2}]{sub n} (M=Ca(II) and Sr(II) for 3 and 4, respectively) [BTA=2-(1H-benzotriazol-1-yl) acetic anion], have been obtained under hydrothermal condition, by reacting the different alkali and alkaline-earth metal hydroxides with HBTA. Complexes 1–4 were structurally characterized by X-ray single-crystal diffraction, EA, IR, PXRD, and thermogravimetry analysis (TGA). These complexes display low-dimensional features displaying various two-dimensional (2D) and one-dimensional (1D) coordination motifs. Complex 1 displays a 2D layer with the thickness of 1.5 nm and possesses a topologic structure of a 11more » nodal net with Schläfli symbol of (3{sup 18}). Complex 2 also shows a thick 2D sheet and its topologic structure is a 9 nodes with Schläfli symbol of (3{sup 11}×4{sup 2}). Complexes 3 and 4 possess a 1D linear chain and further stack via hydrogen bonding interactions to generate a three-dimensional supramolecular architecture. These results suggest that both the coordination preferences of the metal ions and the versatile nature of this flexible ligand play a critical role in the final structures. The luminescent spectra show strong emission intensities in complexes 1–4, which display violet photoluminescence. Additionally, ferroelectric, dielectric and nonlinear optic (NLO) second-harmonic generation (SHG) properties of 2 are discussed in detail. - Graphical abstract: A set of alkali and alkaline-earth metal coordination polymers were hydrothermally synthesized by 2-(1H-benzotriazol-1-yl)acetic acid, displaying interesting topologic motifs from two-dimension to one-dimension and specific physical properties. - Highlights: • Alkali and alkaline-earth metal coordination polymers have been obtained. • The ligand 2-(1H-benzotriazol-1-yl)acetic acid has been adopted. • The two-dimensional and one-dimensional structures have been observed. • The properties of second harmonic generation and ferroelectricity for complex 2.« less

Surface-assisted DNA self-assembly: An enzyme-free strategy towards formation of branched DNA lattice

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

Bhanjadeo, Madhabi M.; Academy of Scientific and Innovative Research; Nayak, Ashok K.

DNA based self-assembled nanostructures and DNA origami has proven useful for organizing nanomaterials with firm precision. However, for advanced applications like nanoelectronics and photonics, large-scale organization of self-assembled branched DNA (bDNA) into periodic lattices is desired. In this communication for the first time we report a facile method of self-assembly of Y-shaped bDNA nanostructures on the cationic surface of Aluminum (Al) foil to prepare periodic two dimensional (2D) bDNA lattice. Particularly those Y-shaped bDNA structures having smaller overhangs and unable to self-assemble in solution, they are easily assembled on the surface of Al foil in the absence of ligase. Fieldmore » emission scanning electron microscopy (FESEM) analysis shows homogenous distribution of two-dimensional bDNA lattices across the Al foil. When the assembled bDNA structures were recovered from the Al foil and electrophoresed in nPAGE only higher order polymeric bDNA structures were observed without a trace of monomeric structures which confirms the stability and high yield of the bDNA lattices. Therefore, this enzyme-free economic and efficient strategy for developing bDNA lattices can be utilized in assembling various nanomaterials for functional molecular components towards development of DNA based self-assembled nanodevices. - Highlights: • Al foil surface-assisted self-assembly of monomeric structures into larger branched DNA lattice. • FESEM study confirms the uniform distribution of two-dimensional bDNA lattice structures across the surface of Al foil. • Enzyme-free and economic strategy to prepare higher order structures from simpler DNA nanostructures have been confirmed by recovery assay. • Use of well proven sequences for the preparation of pure Y-shaped monomeric DNA nanostructure with high yield.« less

3D Surface Reconstruction for Lower Limb Prosthetic Model using Radon Transform

NASA Astrophysics Data System (ADS)

Sobani, S. S. Mohd; Mahmood, N. H.; Zakaria, N. A.; Razak, M. A. Abdul

2018-03-01

This paper describes the idea to realize three-dimensional surfaces of objects with cylinder-based shapes where the techniques adopted and the strategy developed for a non-rigid three-dimensional surface reconstruction of an object from uncalibrated two-dimensional image sequences using multiple-view digital camera and turntable setup. The surface of an object is reconstructed based on the concept of tomography with the aid of performing several digital image processing algorithms on the two-dimensional images captured by a digital camera in thirty-six different projections and the three-dimensional structure of the surface is analysed. Four different objects are used as experimental models in the reconstructions and each object is placed on a manually rotated turntable. The results shown that the proposed method has successfully reconstruct the three-dimensional surface of the objects and practicable. The shape and size of the reconstructed three-dimensional objects are recognizable and distinguishable. The reconstructions of objects involved in the test are strengthened with the analysis where the maximum percent error obtained from the computation is approximately 1.4 % for the height whilst 4.0%, 4.79% and 4.7% for the diameters at three specific heights of the objects.

Two-Dimensional Algal Collection and Assembly by Combining AC-Dielectrophoresis with Fluorescence Detection for Contaminant-Induced Oxidative Stress Sensing.

PubMed

Siebman, Coralie; Velev, Orlin D; Slaveykova, Vera I

2015-06-15

An alternative current (AC) dielectrophoretic lab-on-chip setup was evaluated as a rapid tool of capture and assembly of microalga Chlamydomonas reinhardtii in two-dimensional (2D) close-packed arrays. An electric field of 100 V·cm⁻¹, 100 Hz applied for 30 min was found optimal to collect and assemble the algae into single-layer structures of closely packed cells without inducing cellular oxidative stress. Combined with oxidative stress specific staining and fluorescence microscopy detection, the capability of using the 2D whole-cell assembly on-chip to follow the reactive oxygen species (ROS) production and oxidative stress during short-term exposure to several environmental contaminants, including mercury, methylmercury, copper, copper oxide nanoparticles (CuO-NPs), and diuron was explored. The results showed significant increase of the cellular ROS when C. reinhardtii was exposed to high concentrations of methylmercury, CuO-NPs, and 10⁻⁵ M Cu. Overall, this study demonstrates the potential of combining AC-dielectrophoretically assembled two-dimensional algal structures with cell metabolic analysis using fluorescence staining, as a rapid analytical tool for probing the effect of contaminants in highly impacted environment.

Minimum mass design of large-scale space trusses subjected to thermal gradients

NASA Technical Reports Server (NTRS)

Williams, R. Brett; Agnes, Gregory S.

2006-01-01

Lightweight, deployable trusses are commonly used to support space-borne instruments including RF reflectors, radar panels, and telescope optics. While in orbit, these support structures are subjected to thermal gradients that vary with altitude, location in orbit, and self-shadowing. Since these instruments have tight dimensional-stability requirements, their truss members are often covered with multi-layer insulation (MLI) blankets to minimize thermal distortions. This paper develops a radiation heat transfer model to predict the thermal gradient experienced by a triangular truss supporting a long, linear radar panel in Medium Earth Orbit (MEO). The influence of self-shadowing effects of the radar panel are included in the analysis, and the influence of both MLI thickness and outer covers/coatings on the magnitude of the thermal gradient are formed into a simple, two-dimensional analysis. This thermal model is then used to size and estimate the structural mass of a triangular truss that meets a given set of structural requirements.

Dynamic behaviour of thin composite plates for different boundary conditions

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

Sprintu, Iuliana, E-mail: sprintui@yahoo.com, E-mail: rotaruconstantin@yahoo.com; Rotaru, Constantin, E-mail: sprintui@yahoo.com, E-mail: rotaruconstantin@yahoo.com

2014-12-10

In the context of composite materials technology, which is increasingly present in industry, this article covers a topic of great interest and theoretical and practical importance. Given the complex design of fiber-reinforced materials and their heterogeneous nature, mathematical modeling of the mechanical response under different external stresses is very difficult to address in the absence of simplifying assumptions. In most structural applications, composite structures can be idealized as beams, plates, or shells. The analysis is reduced from a three-dimensional elasticity problem to a oneor two-dimensional problem, based on certain simplifying assumptions that can be made because the structure is thin.more » This paper aims to validate a mathematical model illustrating how thin rectangular orthotropic plates respond to the actual load. Thus, from the theory of thin plates, new analytical solutions are proposed corresponding to orthotropic rectangular plates having different boundary conditions. The proposed analytical solutions are considered both for solving equation orthotropic rectangular plates and for modal analysis.« less

Comprehensive two-dimensional gas chromatography applied to illicit drug analysis.

PubMed

Mitrevski, Blagoj; Wynne, Paul; Marriott, Philip J

2011-11-01

Multidimensional gas chromatography (MDGC), and especially its latest incarnation--comprehensive two-dimensional gas chromatography (GC × GC)--have proved advantageous over and above classic one-dimensional gas chromatography (1D GC) in many areas of analysis by offering improved peak capacity, often enhanced sensitivity and, especially in the case of GC × GC, the unique feature of 'structured' chromatograms. This article reviews recent advances in MDGC and GC × GC in drug analysis with special focus on ecstasy, heroin and cocaine profiling. Although 1D GC is still the method of choice for drug profiling in most laboratories because of its simplicity and instrument availability, GC × GC is a tempting proposition for this purpose because of its ability to generate a higher net information content. Effluent refocusing due to the modulation (compression) process, combined with the separation on two 'orthogonal' columns, results in more components being well resolved and therefore being analytically and statistically useful to the profile. The spread of the components in the two-dimensional plots is strongly dependent on the extent of retention 'orthogonality' (i.e. the extent to which the two phases possess different or independent retention mechanisms towards sample constituents) between the two columns. The benefits of 'information-driven' drug profiling, where more points of reference are usually required for sample differentiation, are discussed. In addition, several limitations in application of MDGC in drug profiling, including data acquisition rate, column temperature limit, column phase orthogonality and chiral separation, are considered and discussed. Although the review focuses on the articles published in the last decade, a brief chronological preview of the profiling methods used throughout the last three decades is given.

The quest for inorganic fullerenes

NASA Astrophysics Data System (ADS)

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.; Park, Eun Ji; Ganteför, Gerd; Seo, Hyun Ook; Kim, Young Dok; Idrobo, Juan-Carlos; Pennycook, Stephen J.

2015-10-01

Experimental results of the search for inorganic fullerenes are presented. MonSm- and WnSm- clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.

Structure analysis of turbulent liquid phase by POD and LSE techniques

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

Munir, S., E-mail: shahzad-munir@comsats.edu.pk; Muthuvalu, M. S.; Siddiqui, M. I.

2014-10-24

In this paper, vortical structures and turbulence characteristics of liquid phase in both single liquid phase and two-phase slug flow in pipes were studied. Two dimensional velocity vector fields of liquid phase were obtained by Particle image velocimetry (PIV). Two cases were considered one single phase liquid flow at 80 l/m and second slug flow by introducing gas at 60 l/m while keeping liquid flow rate same. Proper orthogonal decomposition (POD) and Linear stochastic estimation techniques were used for the extraction of coherent structures and analysis of turbulence in liquid phase for both cases. POD has successfully revealed large energymore » containing structures. The time dependent POD spatial mode coefficients oscillate with high frequency for high mode numbers. The energy distribution of spatial modes was also achieved. LSE has pointed out the coherent structured for both cases and the reconstructed velocity fields are in well agreement with the instantaneous velocity fields.« less

Taxometric Analysis as a General Strategy for Distinguishing Categorical from Dimensional Latent Structure

ERIC Educational Resources Information Center

McGrath, Robert E.; Walters, Glenn D.

2012-01-01

Statistical analyses investigating latent structure can be divided into those that estimate structural model parameters and those that detect the structural model type. The most basic distinction among structure types is between categorical (discrete) and dimensional (continuous) models. It is a common, and potentially misleading, practice to…

Comparison of morphological and conventional edge detectors in medical imaging applications

NASA Astrophysics Data System (ADS)

Kaabi, Lotfi; Loloyan, Mansur; Huang, H. K.

1991-06-01

Recently, mathematical morphology has been used to develop efficient image analysis tools. This paper compares the performance of morphological and conventional edge detectors applied to radiological images. Two morphological edge detectors including the dilation residue found by subtracting the original signal from its dilation by a small structuring element, and the blur-minimization edge detector which is defined as the minimum of erosion and dilation residues of the blurred image version, are compared with the linear Laplacian and Sobel and the non-linear Robert edge detectors. Various structuring elements were used in this study: regular 2-dimensional, and 3-dimensional. We utilized two criterions for edge detector's performance classification: edge point connectivity and the sensitivity to the noise. CT/MR and chest radiograph images have been used as test data. Comparison results show that the blur-minimization edge detector, with a rolling ball-like structuring element outperforms other standard linear and nonlinear edge detectors. It is less noise sensitive, and performs the most closed contours.

Electromagnetically induced reflectance and Fano resonance in one dimensional superconducting photonic crystal

NASA Astrophysics Data System (ADS)

Athe, Pratik; Srivastava, Sanjay; Thapa, Khem B.

2018-04-01

In the present work, we demonstrate the generation of optical Fano resonance and electromagnetically induced reflectance (EIR) in one-dimensional superconducting photonic crystal (1D SPC) by numerical simulation using transfer matrix method as analysis tool. We investigated the optical response of 1D SPC structure consisting of alternate layer of two different superconductors and observed that the optical spectra of this structure exhibit two narrow reflectance peaks with zero reflectivity of sidebands. Further, we added a dielectric cap layer to this 1D SPC structure and found that addition of dielectric cap layer transforms the line shape of sidebands around the narrow reflectance peaks which leads to the formation of Fano resonance and EIR line shape in reflectance spectra. We also studied the effects of the number of periods, refractive index and thickness of dielectric cap layer on the lineshape of EIR and Fano resonances. It was observed that the amplitude of peak reflectance of EIR achieves 100% reflectance by increasing the number of periods.

Interfacial structure of two-dimensional epitaxial Er silicide on Si(111)

NASA Astrophysics Data System (ADS)

Tuilier, M. H.; Wetzel, P.; Pirri, C.; Bolmont, D.; Gewinner, G.

1994-07-01

Auger-electron diffraction (AED) and surface-extended x-ray-absorption fine structure (SEXAFS) have been used to obtain a complete description of the atomic structure of a two-dimensional epitaxial Er silicide layer on Si(111). AED reveals that a monolayer of Er is located underneath a buckled Si double layer. The relevant Er-Si interlayer spacings are determined by means of single scattering cluster simulations and a R-factor analysis to be 1.92+/-0.05 Å to the first and 2.70+/-0.05 Å to the second Si top layer. Er near-neighbor bond lengths and coordination numbers are obtained independently from polarization-dependent SEXAFS. The SEXAFS data, when combined with the Si top-layer geometry inferred from AED, permit the determination of the atomic positions at the silicide/Si(111) interface. The Er is found to reside in relaxed T4 sites of Si(111) with a single Er-Si distance of 3.09+/-0.04 Å to the first- and second-layer Si atoms of the substrate.

Experimental evidence of locally resonant sonic band gap in two-dimensional phononic stubbed plates

NASA Astrophysics Data System (ADS)

Oudich, Mourad; Senesi, Matteo; Assouar, M. Badreddine; Ruzenne, Massimo; Sun, Jia-Hong; Vincent, Brice; Hou, Zhilin; Wu, Tsung-Tsong

2011-10-01

We provide experimental evidence of the existence of a locally resonant sonic band gap in a two-dimensional stubbed plate. Structures consisting of a periodic arrangement of silicone rubber stubs deposited on a thin aluminium plate were fabricated and characterized. Brillouin spectroscopy analysis is carried out to determine the elastic constants of the used rubber. The constants are then implemented in an efficient finite-element model that predicts the band structure and transmission to identify the theoretical band gap. We measure a complete sonic band gap for the out-of-plane Lamb wave modes propagating in various samples fabricated with different stub heights. Frequency domain measurements of full wave field and transmission are performed through a scanning laser Doppler vibrometer. A complete band gap from 1.9 to 2.6 kHz is showed using a sample with 6-mm stub diameter, 5-mm thickness, and 1-cm structure periodicity. Very good agreement between numerical and experimental results is obtained.

Ultrafast Solvation Dynamics and Vibrational Coherences of Halogenated Boron-Dipyrromethene Derivatives Revealed through Two-Dimensional Electronic Spectroscopy.

PubMed

Lee, Yumin; Das, Saptaparna; Malamakal, Roy M; Meloni, Stephen; Chenoweth, David M; Anna, Jessica M

2017-10-18

Boron-dipyrromethene (BODIPY) chromophores have a wide range of applications, spanning areas from biological imaging to solar energy conversion. Understanding the ultrafast dynamics of electronically excited BODIPY chromophores could lead to further advances in these areas. In this work, we characterize and compare the ultrafast dynamics of halogenated BODIPY chromophores through applying two-dimensional electronic spectroscopy (2DES). Through our studies, we demonstrate a new data analysis procedure for extracting the dynamic Stokes shift from 2DES spectra revealing an ultrafast solvent relaxation. In addition, we extract the frequency of the vibrational modes that are strongly coupled to the electronic excitation, and compare the results of structurally different BODIPY chromophores. We interpret our results with the aid of DFT calculations, finding that structural modifications lead to changes in the frequency, identity, and magnitude of Franck-Condon active vibrational modes. We attribute these changes to differences in the electron density of the electronic states of the structurally different BODIPY chromophores.

Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

NASA Astrophysics Data System (ADS)

Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

2015-01-01

In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

Structural characterization of lignin isolated from coconut (Cocos nucifera) coir fibers.

PubMed

Rencoret, Jorge; Ralph, John; Marques, Gisela; Gutiérrez, Ana; Martínez, Ángel T; del Río, José C

2013-03-13

The structure of the isolated milled "wood" lignin from coconut coir has been characterized using different analytical methods, including Py-GC/MS, 2D NMR, DFRC, and thioacidolysis. The analyses demonstrated that it is a p-hydroxyphenyl-guaiacyl-syringyl (H-G-S) lignin, with a predominance of G units (S/G ratio 0.23) and considerable amounts of associated p-hydroxybenzoates. Two-dimensional NMR indicated that the main substructures present in this lignin include β-O-4' alkyl aryl ethers followed by phenylcoumarans and resinols. Two-dimensional NMR spectra also indicated that coir lignin is partially acylated at the γ-carbon of the side chain with p-hydroxybenzoates and acetates. DFRC analysis showed that acetates preferentially acylate the γ-OH in S rather than in G units. Despite coir lignin's being highly enriched in G-units, thioacidolysis indicated that β-β' resinol structures are mostly derived from sinapyl alcohol. Finally, we find evidence that the flavone tricin is incorporated into the coconut coir lignin, as has been recently noted for various grasses.

Measures of large-scale structure in the CfA redshift survey slices

NASA Technical Reports Server (NTRS)

De Lapparent, Valerie; Geller, Margaret J.; Huchra, John P.

1991-01-01

Variations of the counts-in-cells with cell size are used here to define two statistical measures of large-scale clustering in three 6 deg slices of the CfA redshift survey. A percolation criterion is used to estimate the filling factor which measures the fraction of the total volume in the survey occupied by the large-scale structures. For the full 18 deg slice of the CfA redshift survey, f is about 0.25 + or - 0.05. After removing groups with more than five members from two of the slices, variations of the counts in occupied cells with cell size have a power-law behavior with a slope beta about 2.2 on scales from 1-10/h Mpc. Application of both this statistic and the percolation analysis to simulations suggests that a network of two-dimensional structures is a better description of the geometry of the clustering in the CfA slices than a network of one-dimensional structures. Counts-in-cells are also used to estimate at 0.3 galaxy h-squared/Mpc the average galaxy surface density in sheets like the Great Wall.

Fast Two-Dimensional Bubble Analysis of Biopolymer Filamentous Networks Pore Size from Confocal Microscopy Thin Data Stacks

PubMed Central

Molteni, Matteo; Magatti, Davide; Cardinali, Barbara; Rocco, Mattia; Ferri, Fabio

2013-01-01

The average pore size ξ0 of filamentous networks assembled from biological macromolecules is one of the most important physical parameters affecting their biological functions. Modern optical methods, such as confocal microscopy, can noninvasively image such networks, but extracting a quantitative estimate of ξ0 is a nontrivial task. We present here a fast and simple method based on a two-dimensional bubble approach, which works by analyzing one by one the (thresholded) images of a series of three-dimensional thin data stacks. No skeletonization or reconstruction of the full geometry of the entire network is required. The method was validated by using many isotropic in silico generated networks of different structures, morphologies, and concentrations. For each type of network, the method provides accurate estimates (a few percent) of the average and the standard deviation of the three-dimensional distribution of the pore sizes, defined as the diameters of the largest spheres that can be fit into the pore zones of the entire gel volume. When applied to the analysis of real confocal microscopy images taken on fibrin gels, the method provides an estimate of ξ0 consistent with results from elastic light scattering data. PMID:23473499

Vibration and stress analysis of soft-bonded shuttle insulation tiles. Modal analysis with compact widely space stringers

NASA Technical Reports Server (NTRS)

Ojalvo, I. U.; Austin, F.; Levy, A.

1974-01-01

An efficient iterative procedure is described for the vibration and modal stress analysis of reusable surface insulation (RSI) of multi-tiled space shuttle panels. The method, which is quite general, is rapidly convergent and highly useful for this application. A user-oriented computer program based upon this procedure and titled RESIST (REusable Surface Insulation Stresses) has been prepared for the analysis of compact, widely spaced, stringer-stiffened panels. RESIST, which uses finite element methods, obtains three dimensional tile stresses in the isolator, arrestor (if any) and RSI materials. Two dimensional stresses are obtained in the tile coating and the stringer-stiffened primary structure plate. A special feature of the program is that all the usual detailed finite element grid data is generated internally from a minimum of input data. The program can accommodate tile idealizations with up to 850 nodes (2550 degrees-of-freedom) and primary structure idealizations with a maximum of 10,000 degrees-of-freedom. The primary structure vibration capability is achieved through the development of a new rapid eigenvalue program named ALARM (Automatic LArge Reduction of Matrices to tridiagonal form).

Aircraft interior noise reduction by alternate resonance tuning

NASA Technical Reports Server (NTRS)

Gottwald, James A.; Bliss, Donald B.

1990-01-01

The focus is on a noise control method which considers aircraft fuselages lined with panels alternately tuned to frequencies above and below the frequency that must be attenuated. An interior noise reduction called alternate resonance tuning (ART) is described both theoretically and experimentally. Problems dealing with tuning single paneled wall structures for optimum noise reduction using the ART methodology are presented, and three theoretical problems are analyzed. The first analysis is a three dimensional, full acoustic solution for tuning a panel wall composed of repeating sections with four different panel tunings within that section, where the panels are modeled as idealized spring-mass-damper systems. The second analysis is a two dimensional, full acoustic solution for a panel geometry influenced by the effect of a propagating external pressure field such as that which might be associated with propeller passage by a fuselage. To reduce the analysis complexity, idealized spring-mass-damper panels are again employed. The final theoretical analysis presents the general four panel problem with real panel sections, where the effect of higher structural modes is discussed. Results from an experimental program highlight real applications of the ART concept and show the effectiveness of the tuning on real structures.

Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride.

PubMed

Takahashi, Lauren; Takahashi, Keisuke

2017-03-27

An octagonal allotrope of two dimensional boron nitride is explored through first principles calculations. Calculations show that two dimensional octagonal boron nitride can be formed with a binding energy comparable to two dimensional hexagonal boron nitride. In addition, two dimensional octagonal boron nitride is found to have a band gap smaller than two dimensional hexagonal boron nitride, suggesting the possibility of semiconductive attributes. Two dimensional octagonal boron nitride also has the ability to layer through physisorption. Defects present within two dimensional octagonal boron nitride also lead toward the introduction of a magnetic moment through the absence of boron atoms. The presence of defects is also found to render both hexagonal and octagonal boron nitrides reactive against hydrogen, where greater reactivity is seen in the presence of nitrogen. Thus, two dimensional octagonal boron nitride is confirmed with potential to tailor properties and reactivity through lattice shape and purposeful introduction of defects.

What is the latent structure of alcohol use disorders? A taxometric analysis of the Personality Assessment Inventory Alcohol Problems Scale in male and female prison inmates.

PubMed

Walters, Glenn D; Diamond, Pamela M; Magaletta, Philip R

2010-03-01

Three indicators derived from the Personality Assessment Inventory (PAI) Alcohol Problems scale (ALC)-tolerance/high consumption, loss of control, and negative social and psychological consequences-were subjected to taxometric analysis-mean above minus below a cut (MAMBAC), maximum covariance (MAXCOV), and latent mode factor analysis (L-Mode)-in 1,374 federal prison inmates (905 males, 469 females). Whereas the total sample yielded ambiguous results, the male subsample produced dimensional results, and the female subsample produced taxonic results. Interpreting these findings in light of previous taxometric research on alcohol abuse and dependence it is speculated that while alcohol use disorders may be taxonic in female offenders, they are probably both taxonic and dimensional in male offenders. Two models of male alcohol use disorder in males are considered, one in which the diagnostic features are categorical and the severity of symptomatology is dimensional, and one in which some diagnostic features (e.g., withdrawal) are taxonic and other features (e.g., social problems) are dimensional.

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

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

Two-Dimensional Nuclear Magnetic Resonance Structure Determination Module for Introductory Biochemistry: Synthesis and Structural Characterization of Lyso-Glycerophospholipids

ERIC Educational Resources Information Center

Garrett, Teresa A.; Rose, Rebecca L.; Bell, Sidney M.

2013-01-01

In this laboratory module, introductory biochemistry students are exposed to two-dimensional [superscript 1]H-nuclear magnetic resonance of glycerophospholipids (GPLs). Working in groups of three, students enzymatically synthesized and purified a variety of 2-acyl lyso GPLs. The structure of the 2-acyl lyso GPL was verified using [superscript…

Principle of two-dimensional characterization of copolymers.

PubMed

Weidner, Steffen; Falkenhagen, Jana; Krueger, Ralph-Peter; Just, Ulrich

2007-07-01

Two-dimensional polymer characterization is used for a simultaneous analysis of molar masses and chemical heterogeneities (e.g., end groups, copolymer composition, etc.). This principle is based on coupling of two different chromatographic modes. Liquid adsorption chromatography at critical conditions (LACCC) is applied for a separation according to the chemical heterogeneity, whereas in the second-dimension fractions are analyzed with regard to their molar mass distribution by means of size exclusion chromatography (SEC). Because appropriate standards for a calibration of the SEC are seldom available, matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry (MALDI-TOF MS) was used to substitute the SEC. The LACCC-MALDI MS coupling enables acquiring additional structural information on copolymer composition, which can considerably enhance the performance of this coupled method.

Residual Strength Analyses of Monolithic Structures

NASA Technical Reports Server (NTRS)

Forth, Scott (Technical Monitor); Ambur, Damodar R. (Technical Monitor); Seshadri, B. R.; Tiwari, S. N.

2003-01-01

Finite-element fracture simulation methodology predicts the residual strength of damaged aircraft structures. The methodology uses the critical crack-tip-opening-angle (CTOA) fracture criterion to characterize the fracture behavior of the material. The CTOA fracture criterion assumes that stable crack growth occurs when the crack-tip angle reaches a constant critical value. The use of the CTOA criterion requires an elastic- plastic, finite-element analysis. The critical CTOA value is determined by simulating fracture behavior in laboratory specimens, such as a compact specimen, to obtain the angle that best fits the observed test behavior. The critical CTOA value appears to be independent of loading, crack length, and in-plane dimensions. However, it is a function of material thickness and local crack-front constraint. Modeling the local constraint requires either a three-dimensional analysis or a two-dimensional analysis with an approximation to account for the constraint effects. In recent times as the aircraft industry is leaning towards monolithic structures with the intention of reducing part count and manufacturing cost, there has been a consistent effort at NASA Langley to extend critical CTOA based numerical methodology in the analysis of integrally-stiffened panels.In this regard, a series of fracture tests were conducted on both flat and curved aluminum alloy integrally-stiffened panels. These flat panels were subjected to uniaxial tension and during the test, applied load-crack extension, out-of-plane displacements and local deformations around the crack tip region were measured. Compact and middle-crack tension specimens were tested to determine the critical angle (wc) using three-dimensional code (ZIP3D) and the plane-strain core height (hJ using two-dimensional code (STAGS). These values were then used in the STAGS analysis to predict the fracture behavior of the integrally-stiffened panels. The analyses modeled stable tearing, buckling, and crack branching at the integral stiffener using different values of critical CTOA for different material thicknesses and orientation. Comparisons were made between measured and predicted load-crack extension, out-of-plane displacements and local deformations around the crack tip region. Simultaneously, three-dimensional capabilities to model crack branching and to monitor stable crack growth of multiple cracks in a large thick integrally-stiffened flat panels were implemented in three-dimensional finite element code (ZIP3D) and tested by analyzing the integrally-stiffened panels tested at Alcoa. The residual strength of the panels predicted from STAGS and ZP3D code compared very well with experimental data. In recent times, STAGS software has been updated with new features and now one can have combinations of solid and shell elements in the residual strength analysis of integrally-stiffened panels.

Fast determination of three-dimensional fibril orientation of type-I collagen via macroscopic chirality

NASA Astrophysics Data System (ADS)

Zhuo, Guan-Yu; Chen, Mei-Yu; Yeh, Chao-Yuan; Guo, Chin-Lin; Kao, Fu-Jen

2017-01-01

Polarization-resolved second harmonic generation (SHG) microscopy is appealing for studying structural proteins and well-organized biophotonic nanostructures, due to its highly sensitized structural specificity. In recent years, it has been used to investigate the chiroptical effect, particularly SHG circular dichroism (SHG-CD) in biological tissues. Although SHG-CD attributed to macromolecular structures has been demonstrated, the corresponding quantitative analysis and interpretation on how SHG correlates with second-order susceptibility χ(2) under circularly polarized excitations remains unclear. In this study, we demonstrate a method based on macroscopic chirality to elucidate the correlation between SHG-CD and the orientation angle of the molecular structure. By exploiting this approach, three-dimensional (3D) molecular orientation of type-I collagen is revealed with only two cross polarized SHG images (i.e., interactions of left and right circular polarizations) without acquiring an image stack of varying polarization.

Surface Patterning of Benzene Carboxylic Acids on Graphite: Influence of structure, solvent, and concentration on molecular self-assembly

NASA Astrophysics Data System (ADS)

Florio, Gina; Stiso, Kimberly; Campanelli, Joseph; Dessources, Kimberly; Folkes, Trudi

2012-02-01

Scanning tunneling microscopy (STM) was used to investigate the molecular self-assembly of four different benzene carboxylic acid derivatives at the liquid/graphite interface: pyromellitic acid (1,2,4,5-benzenetetracarboxylic acid), trimellitic acid (1,2,4-benzenetricarboxylic acid), trimesic acid (1,3,5-benzenetricarboxylic acid), and 1,3,5-benzenetriacetic acid. A range of two dimensional networks are observed that depend sensitively on the number of carboxylic acids present, the nature of the solvent, and the solution concentration. We will describe our recent efforts to determine (a) the preferential two-dimensional structure(s) for each benzene carboxylic acid at the liquid/graphite interface, (b) the thermodynamic and kinetic factors influencing self-assembly (or lack thereof), (c) the role solvent plays in the assembly, (e) the effect of in situ versus ex situ dilution on surface packing density, and (f) the temporal evolution of the self-assembled monolayer. Results of computational analysis of analog molecules and model monolayer films will also be presented to aid assignment of network structures and to provide a qualitative picture of surface adsorption and network formation.

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

PubMed Central

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

2008-01-01

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

The LATDYN user's manual

NASA Technical Reports Server (NTRS)

Housner, J. M.; Mcgowan, P. E.; Abrahamson, A. L.; Powell, M. G.

1986-01-01

The LATDYN User's Manual presents the capabilities and instructions for the LATDYN (Large Angle Transient DYNamics) computer program. The LATDYN program is a tool for analyzing the controlled or uncontrolled dynamic transient behavior of interconnected deformable multi-body systems which can undergo large angular motions of each body relative other bodies. The program accommodates large structural deformation as well as large rigid body rotations and is applicable, but not limited to, the following areas: (1) development of large flexible space structures; (2) slewing of large space structure components; (3) mechanisms with rigid or elastic components; and (4) robotic manipulations of beam members. Presently the program is limited to two dimensional problems, but in many cases, three dimensional problems can be exactly or approximately reduced to two dimensions. The program uses convected finite elements to affect the large angular motions involved in the analysis. General geometry is permitted. Detailed user input and output specifications are provided and discussed with example runstreams. To date, LATDYN has been configured for CDC/NOS and DEC VAX/VMS machines. All coding is in ANSII-77 FORTRAN. Detailed instructions regarding interfaces with particular computer operating systems and file structures are provided.

On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.

PubMed

Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D

2015-06-02

An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.

The analysis of carbohydrates in milk powder by a new "heart-cutting" two-dimensional liquid chromatography method.

PubMed

Ma, Jing; Hou, Xiaofang; Zhang, Bing; Wang, Yunan; He, Langchong

2014-03-01

In this study, a new"heart-cutting" two-dimensional liquid chromatography method for the simultaneous determination of carbohydrate contents in milk powder was presented. In this two dimensional liquid chromatography system, a Venusil XBP-C4 analysis column was used in the first dimension ((1)D) as a pre-separation column, a ZORBAX carbohydrates analysis column was used in the second dimension ((2)D) as a final-analysis column. The whole process was completed in less than 35min without a particular sample preparation procedure. The capability of the new two dimensional HPLC method was demonstrated in the determination of carbohydrates in various brands of milk powder samples. A conventional one dimensional chromatography method was also proposed. The two proposed methods were both validated in terms of linearity, limits of detection, accuracy and precision. The comparison between the results obtained with the two methods showed that the new and completely automated two dimensional liquid chromatography method is more suitable for milk powder sample because of its online cleanup effect involved. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

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

Kaufman, Allan N.; Tracy, Eugene R.; Brizard, Alain J.

The process of resonant wave conversion (often called linear mode conversion) has traditionally been analyzed with a spatially one-dimensional slab model, for which the rays propagate in a two-dimensional phase space. However, it has recently been shown [E. R. Tracy and A. N. Kaufman, Phys. Rev. Lett. 91, 130402 (2003)] that multidimensional rays have a helical structure for conversion in two or more spatial dimensions (if their dispersion matrix is generic). In that case, a one-dimensional model is inadequate; a correct analysis requires two spatial dimensions and, thus, four-dimensional phase space. A cold-plasma model is introduced in this paper whichmore » exhibits ray helicity in conversion regions where the density and magnetic field gradients are significantly nonparallel. For illustration, such regions are identified in a model of the poloidal plane of a deuterium-tritium tokamak plasma. In each conversion region, characterized by a six-sector topology, rays in the sector for incident and reflected magnetosonic waves exhibit significant helicity. A detailed analytic and numerical study of helical rays in this sector is developed for a 'symmetric-wedge' model.« less

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

Kaufman, Allan N.; Tracy, Eugene R.; Brizard, Alain J.

The process of resonant wave conversion (often called linear mode conversion) has traditionally been analyzed with a spatially one-dimensional slab model, for which the rays propagate in a two-dimensional phase space. However, it has recently been shown [E.R. Tracy and A.N. Kaufman, Phys. Rev. Lett. 91, 130402 (2003)] that multidimensional rays have a helical structure for conversion in two or more spatial dimensions (if their dispersion matrix is generic). In that case, a one-dimensional model is inadequate; a correct analysis requires two spatial dimensions and, thus, four-dimensional phase space. In this paper we show that a cold plasma model willmore » exhibit ray helicity in conversion regions where the density and magnetic field gradients are significantly non-parallel. For illustration, we examine a model of the poloidal plane of a deuterium-tritium tokamak plasma, and identify such a region. In this region, characterized by a six-sector topology, rays in the sector for incident and reflected magnetosonic waves exhibit significant helicity. We introduce a ''symmetric-wedge'' model, to develop a detailed analytic and numerical study of helical rays in this sector.« less

Quantifying two-dimensional nonstationary signal with power-law correlations by detrended fluctuation analysis

NASA Astrophysics Data System (ADS)

Fan, Qingju; Wu, Yonghong

2015-08-01

In this paper, we develop a new method for the multifractal characterization of two-dimensional nonstationary signal, which is based on the detrended fluctuation analysis (DFA). By applying to two artificially generated signals of two-component ARFIMA process and binomial multifractal model, we show that the new method can reliably determine the multifractal scaling behavior of two-dimensional signal. We also illustrate the applications of this method in finance and physiology. The analyzing results exhibit that the two-dimensional signals under investigation are power-law correlations, and the electricity market consists of electricity price and trading volume is multifractal, while the two-dimensional EEG signal in sleep recorded for a single patient is weak multifractal. The new method based on the detrended fluctuation analysis may add diagnostic power to existing statistical methods.

Unusual (mu-aqua)bis(mu-carboxylate) bridge in homometallic M(II) (M=Mn, Co and Ni) two-dimensional compounds based on the 1,2,3,4-butanetetracarboxylic acid: synthesis, structure, and magnetic properties.

PubMed

Cañadillas-Delgado, Laura; Fabelo, Oscar; Pásan, Jorge; Delgado, Fernando S; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina

2007-09-03

The first coordination compounds of 1,2,3,4-butanetetracarboxylate anion (butca4-) of the formula [M2(butca)(H2O)5]n.2nH2O [M=Mn(II) (1), Co(II) (2), and Ni(II) (3)] were prepared and their X-ray crystal structures and magnetic properties investigated. The three complexes have a very similar two-dimensional structure which consists of (4,4) networks, 1 and 2 being isostructural. The tetracarboxylate ligand acts as a 4-fold connector leading to two-dimensional (4,4) networks of metal atoms, this topology being possible because of its planar conformation. The nodes of these networks are formed by dinuclear motifs which exhibit the unusual (mu-aqua)bis(mu-carboxylate) bridging unit which is analogous to that observed in some molecules of biological interest. The variable-temperature magnetic susceptibility measurements of 1-3 show that 1 and 2 are antiferromagnetically coupled systems whereas 3 exhibits a ferromagnetic behavior. The analysis of the magnetic data of 1-3 through a simple dinuclear model allowed the determination of the values of the magnetic coupling (J) -3.6 (1), -1.2 (2), and +1.47 cm(-1) (3) with the Hamiltonian being defined as H=-JSA.SB. The countercomplementarity between the two bridges (aqua and syn-syn carboxylate) accounts for the trend exhibited by the values of the magnetic coupling in this family.

Characteristics of angular cross correlations studied by light scattering from two-dimensional microsphere films

NASA Astrophysics Data System (ADS)

Schroer, M. A.; Gutt, C.; Grübel, G.

2014-07-01

Recently the analysis of scattering patterns by angular cross-correlation analysis (CCA) was introduced to reveal the orientational order in disordered samples with special focus to future applications on x-ray free-electron laser facilities. We apply this CCA approach to ultra-small-angle light-scattering data obtained from two-dimensional monolayers of microspheres. The films were studied in addition by optical microscopy. This combined approach allows to calculate the cross-correlations of the scattering patterns, characterized by the orientational correlation function Ψl(q), as well as to obtain the real-space structure of the monolayers. We show that CCA is sensitive to the orientational order of monolayers formed by the microspheres which are not directly visible from the scattering patterns. By mixing microspheres of different radii the sizes of ordered monolayer domains is reduced. For these samples it is shown that Ψl(q) quantitatively describes the degree of hexagonal order of the two-dimensional films. The experimental CCA results are compared with calculations based on the microscopy images. Both techniques show qualitatively similar features. Differences can be attributed to the wave-front distortion of the laser beam in the experiment. This effect is discussed by investigating the effect of different wave fronts on the cross-correlation analysis results. The so-determined characteristics of the cross-correlation analysis will be also relevant for future x-ray-based studies.

Optimizing separations in online comprehensive two-dimensional liquid chromatography.

PubMed

Pirok, Bob W J; Gargano, Andrea F G; Schoenmakers, Peter J

2018-01-01

Online comprehensive two-dimensional liquid chromatography has become an attractive option for the analysis of complex nonvolatile samples found in various fields (e.g. environmental studies, food, life, and polymer sciences). Two-dimensional liquid chromatography complements the highly popular hyphenated systems that combine liquid chromatography with mass spectrometry. Two-dimensional liquid chromatography is also applied to the analysis of samples that are not compatible with mass spectrometry (e.g. high-molecular-weight polymers), providing important information on the distribution of the sample components along chemical dimensions (molecular weight, charge, lipophilicity, stereochemistry, etc.). Also, in comparison with conventional one-dimensional liquid chromatography, two-dimensional liquid chromatography provides a greater separation power (peak capacity). Because of the additional selectivity and higher peak capacity, the combination of two-dimensional liquid chromatography with mass spectrometry allows for simpler mixtures of compounds to be introduced in the ion source at any given time, improving quantitative analysis by reducing matrix effects. In this review, we summarize the rationale and principles of two-dimensional liquid chromatography experiments, describe advantages and disadvantages of combining different selectivities and discuss strategies to improve the quality of two-dimensional liquid chromatography separations. © 2017 The Authors. Journal of Separation Science published by WILEY-VCH Verlag GmbH & Co. KGaA.

Modeling and Analysis Tools for Linear and Nonlinear Mechanical Systems Subjected to Extreme Impulsive Loading

DTIC Science & Technology

2015-03-23

SAMPE, Long Beach, CA, 2008. [28] N Hu and H Fukunaga. A new approach for health monitoring of composite structures through identification of impact...Bernard H Minster . Hysteresis and two- dimensional nonlinear wave propagation in berea sandstone. Journal of Geo- physical Research: Solid Earth (1978–2012

AN INTERACTIVE DEMONSTRATION OF 3D COMPUTER-AIDED TOMOGRAPHY IMAGERY FOR INTERPRETING AND QUANTIFYING ANTHROPOGENIC IMPACTS TO MARINE BENTHIC COMMUNITIES

EPA Science Inventory

Two dimensional CT analysis has allowed the quantification of biologically derived structures (tubes and tunnels) within benthic sediments. The percent tube and tunnel area (PTTA) and the sediment bulk density (SXA) resulting from these activities have been shown be to highly cor...

Shock Structure Analysis and Aerodynamics in a Weakly Ionized Gas Flow

NASA Technical Reports Server (NTRS)

Saeks, R.; Popovic, S.; Chow, A. S.

2006-01-01

The structure of a shock wave propagating through a weakly ionized gas is analyzed using an electrofluid dynamics model composed of classical conservation laws and Gauss Law. A viscosity model is included to correctly model the spatial scale of the shock structure, and quasi-neutrality is not assumed. A detailed analysis of the structure of a shock wave propagating in a weakly ionized gas is presented, together with a discussion of the physics underlying the key features of the shock structure. A model for the flow behind a shock wave propagating through a weakly ionized gas is developed and used to analyze the effect of the ionization on the aerodynamics and performance of a two-dimensional hypersonic lifting body.

Ferroelectric polarization-controlled two-dimensional electron gas in ferroelectric/AlGaN/GaN heterostructure

NASA Astrophysics Data System (ADS)

Kong, Y. C.; Xue, F. S.; Zhou, J. J.; Li, L.; Chen, C.; Li, Y. R.

2009-06-01

The control effect of the ferroelectric polarization on the two-dimensional electron gas (2DEG) in a ferroelectric/AlGaN/GaN metal-ferroelectric-semiconductor (MFS) structure is theoretically analyzed by a self-consistent approach. With incorporating the hysteresis nature of the ferroelectric into calculation, the nature of the control effect is disclosed, where the 2DEG density is depleted/restored after poling/depoling operation on the MFS structure. The orientation of the ferroelectric polarization is clarified to be parallel to that of the AlGaN barrier, which, based on an electrostatics analysis, is attributed to the pinning effect of the underlying polarization. Reducing the thickness of the AlGaN barrier from 25 nm to 20 nm leads to an improved control modulation of the 2DEG density from 36.7% to 54.1%.

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

PubMed

Samelsohn, Gregory; Gruzdev, Eugene

2008-09-01

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

High-speed two-dimensional laser scanner based on Bragg gratings stored in photothermorefractive glass.

PubMed

Yaqoob, Zahid; Arain, Muzammil A; Riza, Nabeel A

2003-09-10

A high-speed free-space wavelength-multiplexed optical scanner with high-speed wavelength selection coupled with narrowband volume Bragg gratings stored in photothermorefractive (PTR) glass is reported. The proposed scanner with no moving parts has a modular design with a wide angular scan range, accurate beam pointing, low scanner insertion loss, and two-dimensional beam scan capabilities. We present a complete analysis and design procedure for storing multiple tilted Bragg-grating structures in a single PTR glass volume (for normal incidence) in an optimal fashion. Because the scanner design is modular, many PTR glass volumes (each having multiple tilted Bragg-grating structures) can be stacked together, providing an efficient throughput with operations in both the visible and the infrared (IR) regions. A proof-of-concept experimental study is conducted with four Bragg gratings in independent PTR glass plates, and both visible and IR region scanner operations are demonstrated.

Dynamics of a Two-Dimensional System of Quantum Dipoles

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

Mazzanti, F.; Astrakharchik, G. E.; Boronat, J.

2009-03-20

A detailed microscopic analysis of the dynamic structure function S(k,{omega}) of a two-dimensional Bose system of dipoles polarized along the direction perpendicular to the plane is presented and discussed. Starting from ground-state quantities obtained using a quantum diffusion Monte Carlo algorithm, the density-density response is evaluated in the context of the correlated basis functions (CBF) theory. CBF predicts a sharp peak and a multiexcitation component at higher energies produced by the decay of excitations. We discuss the structure of the phonon-roton peak and show that the Feynman and Bogoliubov predictions depart from the CBF result already at low densities. Wemore » finally discuss the emergence of a roton in the spectrum, but find the roton energy not low enough to make the system unstable under density fluctuations up to the highest density considered that is close to the freezing point.« less

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

NASA Astrophysics Data System (ADS)

Samelsohn, Gregory; Gruzdev, Eugene

2008-09-01

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

Analytical modeling of polarization transformation of laser radiation of various spectral ranges by birefringent structures

NASA Astrophysics Data System (ADS)

Motrich, A. V.; Ushenko, O. G.

2018-01-01

The results of statistical dependence and correlation structures of two-dimensional Mueller matrix elements in various spectral regions of laser radiation by changes in the distribution of orientations of optical axes and birefringence of protein crystals. Namely, a two-wave ("red-blue") approach - layer of biological tissues irradiated by He-Ne laser (λ1 = 0,63μm ) and He-Cd laser (λ1 = 0,41μm )was used Conducted analysis of polarimetric sensitivity was made, a state of polarization points that contain volumetric structures of biological objects to spectral region of laser radiation was detected.

Fixture-abutment connection surface and micro-gap measurements by 3D micro-tomographic technique analysis.

PubMed

Meleo, Deborah; Baggi, Luigi; Di Girolamo, Michele; Di Carlo, Fabio; Pecci, Raffaella; Bedini, Rossella

2012-01-01

X-ray micro-tomography (micro-CT) is a miniaturized form of conventional computed axial tomography (CAT) able to investigate small radio-opaque objects at a-few-microns high resolution, in a non-destructive, non-invasive, and tri-dimensional way. Compared to traditional optical and electron microscopy techniques, which provide two-dimensional images, this innovative investigation technology enables a sample tri-dimensional analysis without cutting, coating or exposing the object to any particular chemical treatment. X-ray micro-tomography matches ideal 3D microscopy features: the possibility of investigating an object in natural conditions and without any preparation or alteration; non-invasive, non-destructive, and sufficiently magnified 3D reconstruction; reliable measurement of numeric data of the internal structure (morphology, structure and ultra-structure). Hence, this technique has multi-fold applications in a wide range of fields, not only in medical and odontostomatologic areas, but also in biomedical engineering, materials science, biology, electronics, geology, archaeology, oil industry, and semi-conductors industry. This study shows possible applications of micro-CT in dental implantology to analyze 3D micro-features of dental implant to abutment interface. Indeed, implant-abutment misfit is known to increase mechanical stress on connection structures and surrounding bone tissue. This condition may cause not only screw preload loss or screw fracture, but also biological issues in peri-implant tissues.

ZnO nanorods/graphene/Ni/Au hybrid structures as transparent conductive layer in GaN LED for low work voltage and high light extraction

NASA Astrophysics Data System (ADS)

Xu, Kun; Xie, Yiyang; Ma, Huali; Du, Yinxiao; Zeng, Fanguang; Ding, Pei; Gao, Zhiyuan; Xu, Chen; Sun, Jie

2016-12-01

In this paper, by virtue of one-dimensional ZnO nanorods and two-dimensional graphene film hybrid structures, both the enhanced current spreading and enhanced light extraction were realized at the same time. A 1 nm/1 nm Ni/Au layer was used as an interlayer between graphene and pGaN to form ohmic contact, which makes the device have a good forward conduction properties. Through the comparison of the two groups of making ZnO nanorods or not, it was found that the 30% light extraction efficiency of the device was improved by using the ZnO nanorods. By analysis key parameters of two groups such as the turn-on voltage, work voltage and reverse leakage current, it was proved that the method for preparing surface nano structure by hydrothermal method self-organization growth ZnO nanorods applied in GaN LEDs has no influence to device's electrical properties. The hybrid structure application in GaN LED, make an achievement of a good ohmic contact, no use of ITO and enhancement of light extraction at the same time, meanwhile it does not change the device structure, introduce additional process, worsen the electrical properties.

Aspects of noncommutative (1+1)-dimensional black holes

NASA Astrophysics Data System (ADS)

Mureika, Jonas R.; Nicolini, Piero

2011-08-01

We present a comprehensive analysis of the spacetime structure and thermodynamics of (1+1)-dimensional black holes in a noncommutative framework. It is shown that a wider variety of solutions are possible than the commutative case considered previously in the literature. As expected, the introduction of a minimal length θ cures singularity pathologies that plague the standard two-dimensional general relativistic case, where the latter solution is recovered at large length scales. Depending on the choice of input parameters (black hole mass M, cosmological constant Λ, etc.), black hole solutions with zero, up to six, horizons are possible. The associated thermodynamics allows for the either complete evaporation, or the production of black hole remnants.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-01

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C12E8) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study.

PubMed

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-21

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C 12 E 8 ) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

The Numerical Analysis of a Turbulent Compressible Jet. Degree awarded by Ohio State Univ., 2000

NASA Technical Reports Server (NTRS)

DeBonis, James R.

2001-01-01

A numerical method to simulate high Reynolds number jet flows was formulated and applied to gain a better understanding of the flow physics. Large-eddy simulation was chosen as the most promising approach to model the turbulent structures due to its compromise between accuracy and computational expense. The filtered Navier-Stokes equations were developed including a total energy form of the energy equation. Subgrid scale models for the momentum and energy equations were adapted from compressible forms of Smagorinsky's original model. The effect of using disparate temporal and spatial accuracy in a numerical scheme was discovered through one-dimensional model problems and a new uniformly fourth-order accurate numerical method was developed. Results from two- and three-dimensional validation exercises show that the code accurately reproduces both viscous and inviscid flows. Numerous axisymmetric jet simulations were performed to investigate the effect of grid resolution, numerical scheme, exit boundary conditions and subgrid scale modeling on the solution and the results were used to guide the three-dimensional calculations. Three-dimensional calculations of a Mach 1.4 jet showed that this LES simulation accurately captures the physics of the turbulent flow. The agreement with experimental data was relatively good and is much better than results in the current literature. Turbulent intensities indicate that the turbulent structures at this level of modeling are not isotropic and this information could lend itself to the development of improved subgrid scale models for LES and turbulence models for RANS simulations. A two point correlation technique was used to quantify the turbulent structures. Two point space correlations were used to obtain a measure of the integral length scale, which proved to be approximately 1/2 D(sub j). Two point space-time correlations were used to obtain the convection velocity for the turbulent structures. This velocity ranged from 0.57 to 0.71 U(sub j).

Quantifying the relationship between sequence and three-dimensional structure conservation in RNA

PubMed Central

2010-01-01

Background In recent years, the number of available RNA structures has rapidly grown reflecting the increased interest on RNA biology. Similarly to the studies carried out two decades ago for proteins, which gave the fundamental grounds for developing comparative protein structure prediction methods, we are now able to quantify the relationship between sequence and structure conservation in RNA. Results Here we introduce an all-against-all sequence- and three-dimensional (3D) structure-based comparison of a representative set of RNA structures, which have allowed us to quantitatively confirm that: (i) there is a measurable relationship between sequence and structure conservation that weakens for alignments resulting in below 60% sequence identity, (ii) evolution tends to conserve more RNA structure than sequence, and (iii) there is a twilight zone for RNA homology detection. Discussion The computational analysis here presented quantitatively describes the relationship between sequence and structure for RNA molecules and defines a twilight zone region for detecting RNA homology. Our work could represent the theoretical basis and limitations for future developments in comparative RNA 3D structure prediction. PMID:20550657

The Episodic Nature of Experience: A Dynamical Systems Analysis.

PubMed

Sreekumar, Vishnu; Dennis, Simon; Doxas, Isidoros

2017-07-01

Context is an important construct in many domains of cognition, including learning, memory, and emotion. We used dynamical systems methods to demonstrate the episodic nature of experience by showing a natural separation between the scales over which within-context and between-context relationships operate. To do this, we represented an individual's emails extending over about 5 years in a high-dimensional semantic space and computed the dimensionalities of the subspaces occupied by these emails. Personal discourse has a two-scaled geometry with smaller within-context dimensionalities than between-context dimensionalities. Prior studies have shown that reading experience (Doxas, Dennis, & Oliver, 2010) and visual experience (Sreekumar, Dennis, Doxas, Zhuang, & Belkin, 2014) have a similar two-scaled structure. Furthermore, the recurrence plot of the emails revealed that experience is predictable and hierarchical, supporting the constructs of some influential theories of memory. The results demonstrate that experience is not scale-free and provide an important target for accounts of how experience shapes cognition. Copyright © 2016 Cognitive Science Society, Inc.

Stationary Wavelet-based Two-directional Two-dimensional Principal Component Analysis for EMG Signal Classification

NASA Astrophysics Data System (ADS)

Ji, Yi; Sun, Shanlin; Xie, Hong-Bo

2017-06-01

Discrete wavelet transform (WT) followed by principal component analysis (PCA) has been a powerful approach for the analysis of biomedical signals. Wavelet coefficients at various scales and channels were usually transformed into a one-dimensional array, causing issues such as the curse of dimensionality dilemma and small sample size problem. In addition, lack of time-shift invariance of WT coefficients can be modeled as noise and degrades the classifier performance. In this study, we present a stationary wavelet-based two-directional two-dimensional principal component analysis (SW2D2PCA) method for the efficient and effective extraction of essential feature information from signals. Time-invariant multi-scale matrices are constructed in the first step. The two-directional two-dimensional principal component analysis then operates on the multi-scale matrices to reduce the dimension, rather than vectors in conventional PCA. Results are presented from an experiment to classify eight hand motions using 4-channel electromyographic (EMG) signals recorded in healthy subjects and amputees, which illustrates the efficiency and effectiveness of the proposed method for biomedical signal analysis.

Hydrothermal synthesis and characterization of a two-dimensional piperazinium cobalt–zinc phosphate via a metastable one-dimensional phase

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

Torre-Fernández, Laura; Khainakova, Olena A.; Espina, Aránzazu

2015-05-15

A two-dimensional piperazinium cobalt–zinc phosphate, formulated as (C{sub 4}N{sub 2}H{sub 12}){sub 1.5}(Co{sub 0.6}Zn{sub 0.4}){sub 2}(HPO{sub 4}){sub 2}(PO{sub 4})·H{sub 2}O (2D), was synthesized under hydrothermal conditions. The crystal structure was determined using single-crystal X-ray diffraction data (monoclinic P2{sub 1}/c, a=8.1165(3) Å, b=26.2301(10) Å, c=8.3595(4) Å, and β=110.930(5)°) and the hydrogen atom positions were optimized by DFT calculations. A single-crystal corresponding to one-dimensional metastable phase, (C{sub 4}N{sub 2}H{sub 12})Co{sub 0.3}Zn{sub 0.7}(HPO{sub 4}){sub 2}·H{sub 2}O (1D), was also isolated and the crystal structure was determined (monoclinic P2{sub 1}/c, a=8.9120(6) Å, b=14.0290(1) Å, c=12.2494(5) Å, and β=130.884(6)°). The bulk was characterized by chemical (C–H–N)more » analysis, powder X-ray diffraction (PXRD), powder X-ray thermodiffractometry (HT-XRD), transmission electron microscopy (STEM(DF)-EDX and EFTEM), and thermal analysis (TG/SDTA-MS), including activation energy data of its thermal decomposition. The magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Graphical abstract: Hydrothermal synthesis and structural characterization of a two-dimensional piperazinium cobalt–zinc phosphate, (C{sub 4}N{sub 2}H{sub 12}){sub 1.5}(Co{sub 0.6}Zn{sub 0.4}){sub 2}(HPO{sub 4}){sub 2}(PO{sub 4})·H{sub 2}O (2D), have been reported. The crystal structure of a one-dimensional piperazinium cobalt–zinc phosphate, (C{sub 4}N{sub 2}H{sub 12})Co{sub 0.3}Zn{sub 0.7}(HPO{sub 4}){sub 2}·H{sub 2}O (1D) a metastable phase during the hydrothermal synthesis, was also determined. The thermal behavior of 2D compound is strongly dependent on the selected heating rate and the magnetic susceptibility and magnetization measurements show no magnetic ordering down to 4 K. - Highlights: • A 2D piperazinium cobalt–zinc phosphate has been synthesized and characterized. • Crystal structure of 1D metastable phase was also determined. • Thermal behavior of 2D compound is strongly dependent on the selected heating rate. • Magnetic measurements show no magnetic ordering down to 4 K.« less

Extension of vibrational power flow techniques to two-dimensional structures

NASA Technical Reports Server (NTRS)

Cuschieri, Joseph M.

1988-01-01

In the analysis of the vibration response and structure-borne vibration transmission between elements of a complex structure, statistical energy analysis (SEA) or finite element analysis (FEA) are generally used. However, an alternative method is using vibrational power flow techniques which can be especially useful in the mid frequencies between the optimum frequency regimes for SEA and FEA. Power flow analysis has in general been used on 1-D beam-like structures or between structures with point joints. In this paper, the power flow technique is extended to 2-D plate-like structures joined along a common edge without frequency or spatial averaging the results, such that the resonant response of the structure is determined. The power flow results are compared to results obtained using FEA results at low frequencies and SEA at high frequencies. The agreement with FEA results is good but the power flow technique has an improved computational efficiency. Compared to the SEA results the power flow results show a closer representation of the actual response of the structure.

A Multi-Resolution Data Structure for Two-Dimensional Morse Functions

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

Bremer, P-T; Edelsbrunner, H; Hamann, B

2003-07-30

The efficient construction of simplified models is a central problem in the field of visualization. We combine topological and geometric methods to construct a multi-resolution data structure for functions over two-dimensional domains. Starting with the Morse-Smale complex we build a hierarchy by progressively canceling critical points in pairs. The data structure supports mesh traversal operations similar to traditional multi-resolution representations.

Cryo-EM image alignment based on nonuniform fast Fourier transform.

PubMed

Yang, Zhengfan; Penczek, Pawel A

2008-08-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform fast Fourier transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis.

Cryo-EM Image Alignment Based on Nonuniform Fast Fourier Transform

PubMed Central

Yang, Zhengfan; Penczek, Pawel A.

2008-01-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform Fast Fourier Transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis. PMID:18499351

Three-dimensional reconstruction of single-cell chromosome structure using recurrence plots.

PubMed

Hirata, Yoshito; Oda, Arisa; Ohta, Kunihiro; Aihara, Kazuyuki

2016-10-11

Single-cell analysis of the three-dimensional (3D) chromosome structure can reveal cell-to-cell variability in genome activities. Here, we propose to apply recurrence plots, a mathematical method of nonlinear time series analysis, to reconstruct the 3D chromosome structure of a single cell based on information of chromosomal contacts from genome-wide chromosome conformation capture (Hi-C) data. This recurrence plot-based reconstruction (RPR) method enables rapid reconstruction of a unique structure in single cells, even from incomplete Hi-C information.

Three-dimensional reconstruction of single-cell chromosome structure using recurrence plots

NASA Astrophysics Data System (ADS)

Hirata, Yoshito; Oda, Arisa; Ohta, Kunihiro; Aihara, Kazuyuki

2016-10-01

Single-cell analysis of the three-dimensional (3D) chromosome structure can reveal cell-to-cell variability in genome activities. Here, we propose to apply recurrence plots, a mathematical method of nonlinear time series analysis, to reconstruct the 3D chromosome structure of a single cell based on information of chromosomal contacts from genome-wide chromosome conformation capture (Hi-C) data. This recurrence plot-based reconstruction (RPR) method enables rapid reconstruction of a unique structure in single cells, even from incomplete Hi-C information.

CCR2 and CCR5 receptor-binding properties of herpesvirus-8 vMIP-II based on sequence analysis and its solution structure.

PubMed

Shao, W; Fernandez, E; Sachpatzidis, A; Wilken, J; Thompson, D A; Schweitzer, B I; Lolis, E

2001-05-01

Human herpesvirus-8 (HHV-8) is the infectious agent responsible for Kaposi's sarcoma and encodes a protein, macrophage inflammatory protein-II (vMIP-II), which shows sequence similarity to the human CC chemokines. vMIP-II has broad receptor specificity that crosses chemokine receptor subfamilies, and inhibits HIV-1 viral entry mediated by numerous chemokine receptors. In this study, the solution structure of chemically synthesized vMIP-II was determined by nuclear magnetic resonance. The protein is a monomer and possesses the chemokine fold consisting of a flexible N-terminus, three antiparallel beta strands, and a C-terminal alpha helix. Except for the N-terminal residues (residues 1-13) and the last two C-terminal residues (residues 73-74), the structure of vMIP-II is well-defined, exhibiting average rmsd of 0.35 and 0.90 A for the backbone heavy atoms and all heavy atoms of residues 14-72, respectively. Taking into account the sequence differences between the various CC chemokines and comparing their three-dimensional structures allows us to implicate residues that influence the quaternary structure and receptor binding and activation of these proteins in solution. The analysis of the sequence and three-dimensional structure of vMIP-II indicates the presence of epitopes involved in binding two receptors CCR2 and CCR5. We propose that vMIP-II was initially specific for CCR5 and acquired receptor-binding properties to CCR2 and other chemokine receptors.

Analysis of bacterial populations in the environment using two-dimensional gel electrophoresis of genomic DNA and complementary DNA.

PubMed

Liu, Guo-Hua; Nakamura, Tatsuo; Amemiya, Takashi; Rajendran, Narasimmalu; Itoh, Kiminori

2011-01-01

Two-dimensional gel electrophoresis (2-DGE) mapping of genomic DNA and complementary DNA (cDNA) amplicons was attempted to analyze total and active bacterial populations within soil and activated sludge samples. Distinct differences in the number and species of bacterial populations and those that were metabolically active at the time of sampling were visually observed especially for the soil community. Statistical analyses and sequencing based on the 2-DGE data further revealed the relationships between total and active bacterial populations within each community. This high-resolution technique would be useful for obtaining a better understanding of bacterial population structures in the environment.

Extinction maps toward the Milky Way bulge: Two-dimensional and three-dimensional tests with apogee

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

Schultheis, M.; Zasowski, G.; Allende Prieto, C.

Galactic interstellar extinction maps are powerful and necessary tools for Milky Way structure and stellar population analyses, particularly toward the heavily reddened bulge and in the midplane. However, due to the difficulty of obtaining reliable extinction measures and distances for a large number of stars that are independent of these maps, tests of their accuracy and systematics have been limited. Our goal is to assess a variety of photometric stellar extinction estimates, including both two-dimensional and three-dimensional extinction maps, using independent extinction measures based on a large spectroscopic sample of stars toward the Milky Way bulge. We employ stellar atmosphericmore » parameters derived from high-resolution H-band Apache Point Observatory Galactic Evolution Experiment (APOGEE) spectra, combined with theoretical stellar isochrones, to calculate line-of-sight extinction and distances for a sample of more than 2400 giants toward the Milky Way bulge. We compare these extinction values to those predicted by individual near-IR and near+mid-IR stellar colors, two-dimensional bulge extinction maps, and three-dimensional extinction maps. The long baseline, near+mid-IR stellar colors are, on average, the most accurate predictors of the APOGEE extinction estimates, and the two-dimensional and three-dimensional extinction maps derived from different stellar populations along different sightlines show varying degrees of reliability. We present the results of all of the comparisons and discuss reasons for the observed discrepancies. We also demonstrate how the particular stellar atmospheric models adopted can have a strong impact on this type of analysis, and discuss related caveats.« less

Evaluation of Deep Learning Representations of Spatial Storm Data

NASA Astrophysics Data System (ADS)

Gagne, D. J., II; Haupt, S. E.; Nychka, D. W.

2017-12-01

The spatial structure of a severe thunderstorm and its surrounding environment provide useful information about the potential for severe weather hazards, including tornadoes, hail, and high winds. Statistics computed over the area of a storm or from the pre-storm environment can provide descriptive information but fail to capture structural information. Because the storm environment is a complex, high-dimensional space, identifying methods to encode important spatial storm information in a low-dimensional form should aid analysis and prediction of storms by statistical and machine learning models. Principal component analysis (PCA), a more traditional approach, transforms high-dimensional data into a set of linearly uncorrelated, orthogonal components ordered by the amount of variance explained by each component. The burgeoning field of deep learning offers two potential approaches to this problem. Convolutional Neural Networks are a supervised learning method for transforming spatial data into a hierarchical set of feature maps that correspond with relevant combinations of spatial structures in the data. Generative Adversarial Networks (GANs) are an unsupervised deep learning model that uses two neural networks trained against each other to produce encoded representations of spatial data. These different spatial encoding methods were evaluated on the prediction of severe hail for a large set of storm patches extracted from the NCAR convection-allowing ensemble. Each storm patch contains information about storm structure and the near-storm environment. Logistic regression and random forest models were trained using the PCA and GAN encodings of the storm data and were compared against the predictions from a convolutional neural network. All methods showed skill over climatology at predicting the probability of severe hail. However, the verification scores among the methods were very similar and the predictions were highly correlated. Further evaluations are being performed to determine how the choice of input variables affects the results.

Wavelet analysis of polarization maps of polycrystalline biological fluids networks

NASA Astrophysics Data System (ADS)

Ushenko, Y. A.

2011-12-01

The optical model of human joints synovial fluid is proposed. The statistic (statistic moments), correlation (autocorrelation function) and self-similar (Log-Log dependencies of power spectrum) structure of polarization two-dimensional distributions (polarization maps) of synovial fluid has been analyzed. It has been shown that differentiation of polarization maps of joint synovial fluid with different physiological state samples is expected of scale-discriminative analysis. To mark out of small-scale domain structure of synovial fluid polarization maps, the wavelet analysis has been used. The set of parameters, which characterize statistic, correlation and self-similar structure of wavelet coefficients' distributions of different scales of polarization domains for diagnostics and differentiation of polycrystalline network transformation connected with the pathological processes, has been determined.

Three-dimensional macro-structures of two-dimensional nanomaterials.

PubMed

Shehzad, Khurram; Xu, Yang; Gao, Chao; Duan, Xiangfeng

2016-10-21

If two-dimensional (2D) nanomaterials are ever to be utilized as components of practical, macroscopic devices on a large scale, there is a complementary need to controllably assemble these 2D building blocks into more sophisticated and hierarchical three-dimensional (3D) architectures. Such a capability is key to design and build complex, functional devices with tailored properties. This review provides a comprehensive overview of the various experimental strategies currently used to fabricate the 3D macro-structures of 2D nanomaterials. Additionally, various approaches for the decoration of the 3D macro-structures with organic molecules, polymers, and inorganic materials are reviewed. Finally, we discuss the applications of 3D macro-structures, especially in the areas of energy, environment, sensing, and electronics, and describe the existing challenges and the outlook for this fast emerging field.

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

DOE PAGES

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

2016-07-12

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

The quest for inorganic fullerenes

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

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.

2015-10-02

Experimental results of the search for inorganic fullerenes are presented. Mo nS m - and W nS m - clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. Moreover, the species in the first maximum at low mass are known to be platelets. The structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy,more » and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Likewise, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.« less

The quest for inorganic fullerenes

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

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.

2015-10-07

Experimental results of the search for inorganic fullerenes are presented. Mo{sub n}S{sub m}{sup −} and W{sub n}S{sub m}{sup −} clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, andmore » scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.« less

Synthesis and characterization of a cadmium(II)-organic supramolecular coordination compound based on the multifunctional 2-amino-5-sulfobenzoic acid ligand.

PubMed

Yuan, Gan Yin; Zhang, Lei; Wang, Meng Jie; Zhang, Kou Lin

2016-12-01

Much attention has been paid by chemists to the construction of supramolecular coordination compounds based on the multifunctional ligand 5-sulfosalicylic acid (H 3 SSA) due to the structural and biological interest of these compounds. However, no coordination compounds have been reported for the multifunctional amino-substituted sulfobenzoate ligand 2-amino-5-sulfobenzoic acid (H 2 asba). We expected that H 2 asba could be a suitable building block for the assembly of supramolecular networks due to its interesting structural characteristics. The reaction of cadmium(II) nitrate with H 2 asba in the presence of the auxiliary flexible dipyridylamide ligand N,N'-bis[(pyridin-4-yl)methyl]oxamide (4bpme) under ambient conditions formed a new mixed-ligand coordination compound, namely bis(3-amino-4-carboxybenzenesulfonato-κO 1 )diaquabis{N,N'-bis[(pyridin-4-yl)methyl]oxamide-κN}cadmium(II)-N,N'-bis[(pyridin-4-yl)methyl]oxamide-water (1/1/4), [Cd(C 7 H 6 NO 5 S) 2 (C 14 H 14 N 4 O 2 ) 2 (H 2 O) 2 ]·C 14 H 14 N 4 O 2 ·4H 2 O, (1), which was characterized by single-crystal and powder X-ray diffraction analysis (PXRD), FT-IR spectroscopy, thermogravimetric analysis (TG), and UV-Vis and photoluminescence spectroscopic analyses in the solid state. The central Cd II atom in (1) occupies a special position on a centre of inversion and exhibits a slightly distorted octahedral geometry, being coordinated by two N atoms from two monodentate 4bpme ligands, four O atoms from two monodentate 4-amino-3-carboxybenzenesulfonate (Hasba - ) ligands and two coordinated water molecules. Interestingly, complex (1) further extends into a threefold polycatenated 0D→2D (0D is zero-dimensional and 2D is two-dimensional) interpenetrated supramolecular two-dimensional (4,4) layer through intermolecular hydrogen bonding. The interlayer hydrogen bonding further links adjacent threefold polycatenated two-dimensional layers into a three-dimensional network. The optical properties of complex (1) indicate that it may be used as a potential indirect band gap semiconductor material. Complex (1) exhibits an irreversible dehydration-rehydration behaviour. The fluorescence properties have also been investigated in the solid state at room temperature.

Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions

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

Lian, Chen; Liu, Liu; Guo, Xu

2016-01-15

Two novel coordination polymers, namely, [Ca(NCP){sub 2}]{sub ∞} (I) and [Sr(NCP){sub 2}]{sub ∞} (II) were synthesized under hydrothermal conditions based on 2-(4-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline (HNCP) and characterized by elemental analysis, infrared spectrometry, X-ray powder diffraction and single crystal X-ray diffraction. Findings indicate that I and II are isomorphous and isostructural, containing the unit of M(NCP{sup −}){sub 4} (M=Ca(II) and Sr(II)), based on which to assemble into three-dimensional (3D) porous 4-fold interpenetration honeycomb-shaped neutral coordination polymers (CPs). Between the adjacent lamellar structures in I and II, there exist π–π interactions between the pyridine rings belonging to phenanthroline of NCP{sup −} which stabilize themore » frameworks. Both I and II display stronger fluorescence emissions as well as high thermal stability. - Graphical abstract: One-dimensional nanotubular channels with the cross dimension of 37.1959(20)×23.6141(11)Å{sup 2} in the three-dimensional honeycomb-shaped coordination network of II are observed. The topological analysis of II indicates that there exists a typical diamond framework possessing large adamantanoid cages, which containing four cyclohexane-shaped patterns in chair conformations. - Highlights: • Two isomorphous and isostructural coordination polymers based on flexible ligand and two alkaline-earth metal salts have been synthesized and characterized. • Structural analysis indicates that I and II are assembled into 3D porous honeycomb-shaped metal-organic frameworks. • Both I and II display stronger fluorescence emissions and higher thermal stability.« less

Effects of anisotropy on the two-dimensional inversion procedure

NASA Astrophysics Data System (ADS)

Heise, Wiebke; Pous, Jaume

2001-12-01

In this paper we show some of the effects that appear in magnetotelluric measurements over 2-D anisotropic structures, and propose a procedure to recover the anisotropy using 2-D inversion algorithms for isotropic models. First, we see how anisotropy affects the usual interpretation steps: dimensionality analysis and 2-D inversion. Two models containing general 2-D azimuthal anisotropic features were chosen to illustrate this approach: an anisotropic block and an anisotropic layer, both forming part of general 2-D models. In addition, a third model with dipping anisotropy was studied. For each model we examined the influence of various anisotropy strikes and resistivity contrasts on the dimensionality analysis and on the behaviour of the induction arrows. We found that, when the anisotropy ratio is higher than five, even if the strike is frequency-dependent it is possible to decide on a direction close to the direction of anisotropy. Then, if the data are rotated to this angle, a 2-D inversion reproduces the anisotropy reasonably well by means of macro-anisotropy. This strategy was tested on field data where anisotropy had been previously recognized.

Structure of the two-dimensional relaxation spectra seen within the eigenmode perturbation theory and the two-site exchange model.

PubMed

Bytchenkoff, Dimitri; Rodts, Stéphane

2011-01-01

The form of the two-dimensional (2D) NMR-relaxation spectra--which allow to study interstitial fluid dynamics in diffusive systems by correlating spin-lattice (T(1)) and spin-spin (T(2)) relaxation times--has given rise to numerous conjectures. Herein we find analytically a number of fundamental structural properties of the spectra: within the eigen-modes formalism, we establish relationships between the signs and intensities of the diagonal and cross-peaks in spectra obtained by various 1 and 2D NMR-relaxation techniques, reveal symmetries of the spectra and uncover interdependence between them. We investigate more specifically a practically important case of porous system that has sets of T(1)- and T(2)-eigenmodes and eigentimes similar to each other by applying the perturbation theory. Furthermore we provide a comparative analysis of the application of the, mathematically more rigorous, eigen-modes formalism and the, rather more phenomenological, first-order two-site exchange model to diffusive systems. Finally we put the results that we could formulate analytically to the test by comparing them with computer-simulations for 2D porous model systems. The structural properties, in general, are to provide useful clues for assignment and analysis of relaxation spectra. The most striking of them--the presence of negative peaks--underlines an urgent need for improvement of the current 2D Inverse Laplace Transform (ILT) algorithm used for calculation of relaxation spectra from NMR raw data. Copyright © 2010 Elsevier Inc. All rights reserved.

The third-order structure function in two dimensions: The Rashomon effect

NASA Astrophysics Data System (ADS)

Cerbus, Rory T.; Chakraborty, Pinaki

2017-11-01

We study the third-order longitudinal structure function, S3(r), in two-dimensional turbulence. In three dimensions, there is considerable theoretical, experimental, and numerical consensus regarding the validity of Kolmogorov's arch-famous " /4 5 th law" for S3(r). By contrast, in two dimensions, two disparate cascades, changed dissipation anomalies, a large-scale drag, and other factors conspire to create several versions of the S3(r) "law." This single quantity can vary considerably when viewed from different perspectives, reminiscent of the "Rashomon effect" in anthropology. After reviewing the history and usage of S3(r) in two-dimensional turbulence, we show that S3(r) generically embodies a mixture of energy and enstrophy fluxes. Building on this result, we derive S3(r) laws for freely decaying and forced two-dimensional turbulent flows, where we also account for the effects of a large-scale drag, an inextricable feature of quasi two-dimensional turbulence in experimental and atmospheric flows. We draw attention to the caution needed in interpreting S3(r) in two-dimensional turbulence.

Two-Dimensional Spectroscopy Is Being Used to Address Core Scientific Questions in Biology and Materials Science.

PubMed

Petti, Megan K; Lomont, Justin P; Maj, Michał; Zanni, Martin T

2018-02-15

Two-dimensional spectroscopy is a powerful tool for extracting structural and dynamic information from a wide range of chemical systems. We provide a brief overview of the ways in which two-dimensional visible and infrared spectroscopies are being applied to elucidate fundamental details of important processes in biological and materials science. The topics covered include amyloid proteins, photosynthetic complexes, ion channels, photovoltaics, batteries, as well as a variety of promising new methods in two-dimensional spectroscopy.

Critical behavior of magnetization in URhAl: Quasi-two-dimensional Ising system with long-range interactions

NASA Astrophysics Data System (ADS)

Tateiwa, Naoyuki; Pospíšil, Jiří; Haga, Yoshinori; Yamamoto, Etsuji

2018-02-01

The critical behavior of dc magnetization in the uranium ferromagnet URhAl with the hexagonal ZrNiAl-type crystal structure has been studied around the ferromagnetic transition temperature TC. The critical exponent β for the temperature dependence of the spontaneous magnetization below TC,γ for the magnetic susceptibility, and δ for the magnetic isotherm at TC, have been obtained with a modified Arrott plot, a Kouvel-Fisher plot, the critical isotherm analysis, and the scaling analysis. We have determined the critical exponents as β =0.287 ±0.005 , γ =1.47 ±0.02 , and δ =6.08 ±0.04 by the scaling analysis and the critical isotherm analysis. These critical exponents satisfy the Widom scaling law δ =1 +γ /β . URhAl has strong uniaxial magnetic anisotropy, similar to its isostructural UCoAl that has been regarded as a three-dimensional (3D) Ising system in previous studies. However, the universality class of the critical phenomenon in URhAl does not belong to the 3D Ising model (β =0.325 , γ =1.241 , and δ =4.82 ) with short-range exchange interactions between magnetic moments. The determined exponents can be explained with the results of the renormalization group approach for a two-dimensional (2D) Ising system coupled with long-range interactions decaying as J (r ) ˜r-(d +σ ) with σ =1.44 . We suggest that the strong hybridization between the uranium 5 f and rhodium 4 d electrons in the U-RhI layer in the hexagonal crystal structure is a source of the low-dimensional magnetic property. The present result is contrary to current understandings of the physical properties in a series of isostructural UTX uranium ferromagnets (T: transition metals, X: p -block elements) based on the 3D Ising model.

Linking a completely three-dimensional nanostrain to a structural transformation eigenstrain.

PubMed

Tirry, Wim; Schryvers, Dominique

2009-09-01

Ni-Ti is one of the most popular shape-memory alloys, a phenomenon resulting from a martensitic transformation. Commercial Ni-Ti-based alloys are often thermally treated to contain Ni(4)Ti(3) precipitates. The presence of these precipitates can introduce an extra transformation step related to the so-called R-phase. It is believed that the strain field surrounding the precipitates, caused by the matrix-precipitate lattice mismatch, lies at the origin of this intermediate transformation step. Atomic-resolution transmission electron microscopy in combination with geometrical phase analysis is used to measure the elastic strain field surrounding these precipitates. By combining measurements from two different crystallographic directions, the three-dimensional strain matrix is determined from two-dimensional measurements. Comparison of the measured strain matrix to the eigenstrain of the R-phase shows that both are very similar and that the introduction of the R-phase might indeed compensate the elastic strain introduced by the precipitate.

Linking a completely three-dimensional nanostrain to a structural transformation eigenstrain

NASA Astrophysics Data System (ADS)

Tirry, Wim; Schryvers, Dominique

2009-09-01

Ni-Ti is one of the most popular shape-memory alloys, a phenomenon resulting from a martensitic transformation. Commercial Ni-Ti-based alloys are often thermally treated to contain Ni4Ti3 precipitates. The presence of these precipitates can introduce an extra transformation step related to the so-called R-phase. It is believed that the strain field surrounding the precipitates, caused by the matrix-precipitate lattice mismatch, lies at the origin of this intermediate transformation step. Atomic-resolution transmission electron microscopy in combination with geometrical phase analysis is used to measure the elastic strain field surrounding these precipitates. By combining measurements from two different crystallographic directions, the three-dimensional strain matrix is determined from two-dimensional measurements. Comparison of the measured strain matrix to the eigenstrain of the R-phase shows that both are very similar and that the introduction of the R-phase might indeed compensate the elastic strain introduced by the precipitate.

Determination of the temperature field of shell structures

NASA Astrophysics Data System (ADS)

Rodionov, N. G.

1986-10-01

A stationary heat conduction problem is formulated for the case of shell structures, such as those found in gas-turbine and jet engines. A two-dimensional elliptic differential equation of stationary heat conduction is obtained which allows, in an approximate manner, for temperature changes along a third variable, i.e., the shell thickness. The two-dimensional problem is reduced to a series of one-dimensional problems which are then solved using efficient difference schemes. The approach proposed here is illustrated by a specific example.

Individual analysis of inter and intragrain defects in electrically characterized polycrystalline silicon nanowire TFTs by multicomponent dark-field imaging based on nanobeam electron diffraction two-dimensional mapping

NASA Astrophysics Data System (ADS)

Asano, Takanori; Takaishi, Riichiro; Oda, Minoru; Sakuma, Kiwamu; Saitoh, Masumi; Tanaka, Hiroki

2018-04-01

We visualize the grain structures for individual nanosized thin film transistors (TFTs), which are electrically characterized, with an improved data processing technique for the dark-field image reconstruction of nanobeam electron diffraction maps. Our individual crystal analysis gives the one-to-one correspondence of TFTs with different grain boundary structures, such as random and coherent boundaries, to the characteristic degradations of ON-current and threshold voltage. Furthermore, the local crystalline uniformity inside a single grain is detected as the difference in diffraction intensity distribution.

SPAR data set contents. [finite element structural analysis system

NASA Technical Reports Server (NTRS)

Cunningham, S. W.

1981-01-01

The contents of the stored data sets of the SPAR (space processing applications rocket) finite element structural analysis system are documented. The data generated by each of the system's processors are stored in a data file organized as a library. Each data set, containing a two-dimensional table or matrix, is identified by a four-word name listed in a table of contents. The creating SPAR processor, number of rows and columns, and definitions of each of the data items are listed for each data set. An example SPAR problem using these data sets is also presented.

Toward atomic-scale bright-field electron tomography for the study of fullerene-like nanostructures.

PubMed

Bar Sadan, Maya; Houben, Lothar; Wolf, Sharon G; Enyashin, Andrey; Seifert, Gotthard; Tenne, Reshef; Urban, Knut

2008-03-01

We present the advancement of electron tomography for three-dimensional structure reconstruction of fullerene-like particles toward atomic-scale resolution. The three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is achieved by the combination of low voltage operation of the electron microscope with aberration-corrected phase contrast imaging. The method enables the study of defects and irregularities in the three-dimensional structure of individual fullerene-like particles on the scale of 2-3 A. Control over shape, size, and atomic architecture is a key issue in synthesis and design of functional nanoparticles. Transmission electron microscopy (TEM) is the primary technique to characterize materials down to the atomic level, albeit the images are two-dimensional projections of the studied objects. Recent advancements in aberration-corrected TEM have demonstrated single atom sensitivity for light elements at subångström resolution. Yet, the resolution of tomographic schemes for three-dimensional structure reconstruction has not surpassed 1 nm3, preventing it from becoming a powerful tool for characterization in the physical sciences on the atomic scale. Here we demonstrate that negative spherical aberration imaging at low acceleration voltage enables tomography down to the atomic scale at reduced radiation damage. First experimental data on the three-dimensional reconstruction of nested molybdenum disulfide nanooctahedra is presented. The method is applicable to the analysis of the atomic architecture of a wide range of nanostructures where strong electron channeling is absent, in particular to carbon fullerenes and inorganic fullerenes.

Fragmentary and incidental behaviour of columns, slabs and crystals

PubMed Central

Whiteley, Walter

2014-01-01

Between the study of small finite frameworks and infinite incidentally periodic frameworks, we find the real materials which are large, but finite, fragments that fit into the infinite periodic frameworks. To understand these materials, we seek insights from both (i) their analysis as large frameworks with associated geometric and combinatorial properties (including the geometric repetitions) and (ii) embedding them into appropriate infinite periodic structures with motions that may break the periodic structure. A review of real materials identifies a number of examples with a local appearance of ‘unit cells’ which repeat under isometries but perhaps in unusual forms. These examples also refocus attention on several new classes of infinite ‘periodic’ frameworks: (i) columns—three-dimensional structures generated with one repeating isometry and (ii) slabs—three-dimensional structures with two independent repeating translations. With this larger vision of structures to be studied, we find some patterns and partial results that suggest new conjectures as well as many additional open questions. These invite a search for new examples and additional theorems. PMID:24379423

Phonons in two-dimensional soft colloidal crystals.

PubMed

Chen, Ke; Still, Tim; Schoenholz, Samuel; Aptowicz, Kevin B; Schindler, Michael; Maggs, A C; Liu, Andrea J; Yodh, A G

2013-08-01

The vibrational modes of pristine and polycrystalline monolayer colloidal crystals composed of thermosensitive microgel particles are measured using video microscopy and covariance matrix analysis. At low frequencies, the Debye relation for two-dimensional harmonic crystals is observed in both crystal types; at higher frequencies, evidence for van Hove singularities in the phonon density of states is significantly smeared out by experimental noise and measurement statistics. The effects of these errors are analyzed using numerical simulations. We introduce methods to correct for these limitations, which can be applied to disordered systems as well as crystalline ones, and we show that application of the error correction procedure to the experimental data leads to more pronounced van Hove singularities in the pristine crystal. Finally, quasilocalized low-frequency modes in polycrystalline two-dimensional colloidal crystals are identified and demonstrated to correlate with structural defects such as dislocations, suggesting that quasilocalized low-frequency phonon modes may be used to identify local regions vulnerable to rearrangements in crystalline as well as amorphous solids.

Optical fiber tip with point light source of SPPs driven by three-dimensional nanostructured asymmetric metal-insulator-metal layer cap

NASA Astrophysics Data System (ADS)

Oshikane, Yasushi; Murai, Kensuke; Nakano, Motohiro

2015-09-01

Numerical analysis of three dimensional optical electro-magnetic field in a circular-truncated conical optical fiber covered by asymmetric MIM structure has been performed by a commercial finite element method package, COMSOL Multiphysics coupled with Wave Optics Module. The outermost thick metallic layer has twin nano-hole, and the waveguiding twin-hole could draw surface plasmon polaritions (SPPs) excited in the MIM structure to the surface. Finally the guided two SPPs could unite each other and may create a single bright spot. The systematic simulation is continuing, and the results will give us valuable counsel for control of surface plasmon polaritons (SPPs) appearing around the MIM structure and twin nano-hole. (1) Optimal design of the 3D FEM model for 8-core Xeon server and rational approach for the FEM analysis, (2) behavior of SPPs affected by wavelength and polarization of light travel through fiber, (3) change in excitation condition of SPPs caused by shape of the MIM structure and twin-hole, (4) effectiveness of additional nanostructures that are aimed at focusing control of two SPPs come out from the corners of twin-hole, (5) scanning ability of the MIM/twin-hole probe at nanostructured sample surface (i.e. amount of forward and backward scattering of SPPs) will be presented and discussed. Several FIBed prototypes and their characteristic of light emission will also reported.

Vibro-acoustic modeling and analysis of a coupled acoustic system comprising a partially opened cavity coupled with a flexible plate

NASA Astrophysics Data System (ADS)

Shi, Shuangxia; Su, Zhu; Jin, Guoyong; Liu, Zhigang

2018-01-01

This paper is concerned with the modeling and solution method of a three-dimensional (3D) coupled acoustic system comprising a partially opened cavity coupled with a flexible plate and an exterior field of semi-infinite size, which is ubiquitously encountered in architectural acoustics and is a reasonable representation of many engineering occasions. A general solution method is presented to predict the dynamic behaviors of the three-dimensional (3D) acoustic coupled system, in which the displacement of the plate and the sound pressure in the cavity are respectively constructed in the form of the two-dimensional and three-dimensional modified Fourier series with several auxiliary functions introduced to ensure the uniform convergence of the solution over the entire solution domain. The effect of the opening is taken into account via the work done by the sound pressure acting at the coupling aperture that is contributed from the vibration of particles on the acoustic coupling interface and on the structural-acoustic coupling interface. Both the acoustic coupling between finite cavity and exterior field and the structural-acoustic coupling between flexible plate and interior acoustic field are considered in the vibro-acoustic modeling of the three-dimensional acoustic coupled acoustic system. The dynamic responses of the coupled structural-acoustic system are obtained using the Rayleigh-Ritz procedure based on the energy expressions for the coupled system. The accuracy and effectiveness of the proposed method are validated through numerical examples and comparison with results obtained by the boundary element analysis. Furthermore, the influence of the opening and the cavity volume on the acoustic behaviors of opened cavity system is studied.

Synthesis, crystal structure and characterization of chiral, three-dimensional anhydrous potassium tris(oxalato)ferrate(III)

NASA Astrophysics Data System (ADS)

Saritha, A.; Raju, B.; Ramachary, M.; Raghavaiah, P.; Hussain, K. A.

2012-11-01

The synthesis, crystal structure and physical properties of chiral, three-dimensional anhydrous potassium tris(oxalato)ferrate(III) [K3Fe(C2O4)3] are described. X-ray analysis reveals that the compound crystallized in the chiral space group P4132 of cubic system with a=b=c=13.5970(2), Z=4. The structure of the complex consists of infinite anionic [Fe(C2O4)3]3- units with distorted octahedral environment of iron surrounded by six oxygen atoms of three oxalato groups. The anionic units are interlinked through K+ ions of three different coordination environments of distorted octahedral, bicapped trigonal prismatic and trigonal prismatic yielding a three-dimensional motif. The two broad absorption bands at 644 and 924 nm from UV-vis-NIR transmittance spectra were ascribed to a ligand-to-metal charge transfer. The room temperature crystalline EPR spectra indicate the high-spin (S=5/2) of Fe(III) ion. The vibrating sample magnetometer measurement shows the paramagnetic nature at room temperature. Thermal studies of the compound confirm the absence of water molecule.

Crystallization, structure and dynamics of the proton-translocating P-type ATPase.

PubMed

Scarborough, G A

2000-01-01

Large single three-dimensional crystals of the dodecylmaltoside complex of the Neurospora crassa plasma membrane H(+)-ATPase (H(+) P-ATPase) can be grown in polyethylene-glycol-containing solutions optimized for moderate supersaturation of both the protein surfaces and detergent micellar region. Large two-dimensional H(+) P-ATPase crystals also grow on the surface of such mixtures and on carbon films located at such surfaces. Electron crystallographic analysis of the two-dimensional crystals grown on carbon films has recently elucidated the structure of the H(+) P-ATPase at a resolution of 0.8 nm in the membrane plane. The two-dimensional crystals comprise two offset layers of ring-shaped ATPase hexamers with their exocytoplasmic surfaces face to face. Side-to-side interactions between the cytoplasmic regions of the hexamers in each layer can be seen, and an interaction between identical exocytoplasmic loops in opposing hexamer layers holds the two layers together. Detergent rings around the membrane-embedded region of the hexamers are clearly visible, and detergent-detergent interactions between the rings are also apparent. The crystal packing forces thus comprise both protein-protein and detergent-detergent interactions, supporting the validity of the original crystallization strategy. Ten transmembrane helices in each ATPase monomer are well-defined in the structure map. They are all relatively straight, closely packed, moderately tilted at various angles with respect to a plane normal to the membrane surface and average approximately 3.5 nm in length. The transmembrane helix region is connected in at least three places to the larger cytoplasmic region, which comprises several discrete domains separated by relatively wide, deep clefts. Previous work has shown that the H(+) P-ATPase undergoes substantial conformational changes during its catalytic cycle that are not changes in secondary structure. Importantly, the results of hydrogen/deuterium exchange experiments indicate that these conformational changes are probably rigid-body interdomain movements that lead to cleft closure. When interpreted within the framework of established principles of enzyme catalysis, this information on the structure and dynamics of the H(+) P-ATPase molecule provides the basis of a rational model for the sequence of events that occurs as the ATPase proceeds through its transport cycle. The forces that drive the sequence can also be clearly stipulated. However, an understanding of the molecular mechanism of ion transport catalyzed by the H(+) P-ATPase awaits an atomic resolution structure.

Characterizing the Shape of Anatomical Structures With Poisson’s Equation

PubMed Central

Haidar, Haissam; Levitt, James J.; McCarley, Robert W.; Shenton, Martha E.; Soul, Janet S.

2009-01-01

Poisson’s equation, a fundamental partial differential equation in classical physics, has a number of properties that are interesting for shape analysis. In particular, the equipotential sets of the solution graph become smoother as the potential increases. We use the displacement map, the length of the streamlines formed by the gradient field of the solution, to measure the “complexity” (or smoothness) of the equipotential sets, and study its behavior as the potential increases. We believe that this function complexity = f (potential), which we call the shape characteristic, is a very natural way to express shape. Robust algorithms are presented to compute the solution to Poisson’s equation, the displacement map, and the shape characteristic. We first illustrate our technique on two-dimensional synthetic examples and natural silhouettes. We then perform two shape analysis studies on three-dimensional neuroanatomical data extracted from magnetic resonance (MR) images of the brain. In the first study, we investigate changes in the caudate nucleus in Schizotypal Personality Disorder (SPD) and confirm previously published results on this structure [1]. In the second study, we present a data set of caudate nuclei of premature infants with asymmetric white matter injury. Our method shows structural shape differences that volumetric measurements were unable to detect. PMID:17024829

Inter-ribbon tunneling in graphene: An atomistic Bardeen approach

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

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

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

Analysis of high-rise constructions with the using of three-dimensional models of rods in the finite element program PRINS

NASA Astrophysics Data System (ADS)

Agapov, Vladimir

2018-03-01

The necessity of new approaches to the modeling of rods in the analysis of high-rise constructions is justified. The possibility of the application of the three-dimensional superelements of rods with rectangular cross section for the static and dynamic calculation of the bar and combined structures is considered. The results of the eighteen-story spatial frame free vibrations analysis using both one-dimensional and three-dimensional models of rods are presented. A comparative analysis of the obtained results is carried out and the conclusions on the possibility of three-dimensional superelements application in static and dynamic analysis of high-rise constructions are given on its basis.

Development of Science Anxiety Scale for Primary School Students

ERIC Educational Resources Information Center

Guzeller, Cem Oktay; Dogru, Mustafa

2012-01-01

The principal aim of the study is to develop a new scale Science Anxiety Scale and to examine its the psychometric properties and construct validity of the Science Anxiety Scale in a sample of 797 primary school students. Exploratory factor analysis was applied and found to have a two-dimensional structure. Confirmatory factor analyses provide…

Cross-ply laminates with holes in compression - Straight free-edge stresses determined by two- to three-dimensional global/local finite element analysis

NASA Technical Reports Server (NTRS)

Thompson, Danniella Muheim; Griffin, O. Hayden, Jr.; Vidussoni, Marco A.

1990-01-01

A practical example of applying two- to three-dimensional (2- to 3-D) global/local finite element analysis to laminated composites is presented. Cross-ply graphite/epoxy laminates of 0.1-in. (0.254-cm) thickness with central circular holes ranging from 1 to 6 in. (2.54 to 15.2 cm) in diameter, subjected to in-plane compression were analyzed. Guidelines for full three-dimensional finite element analysis and two- to three-dimensional global/local analysis of interlaminar stresses at straight free edges of laminated composites are included. The larger holes were found to reduce substantially the interlaminar stresses at the straight free-edge in proximity to the hole. Three-dimensional stress results were obtained for thin laminates which require prohibitive computer resources for full three-dimensional analyses of comparative accuracy.

Tug-of-war between classical and multicenter bonds in H-(Be)n-H species

NASA Astrophysics Data System (ADS)

Lundell, Katie A.; Boldyrev, Alexander I.

2018-05-01

Quantum chemical calculations were performed for beryllium homocatenated compounds [H-(Be)n-H]. Global minimum structures were found using machine searches (Coalescence Kick method) with density functional theory. Chemical bonding analysis was performed with the Adaptive Natural Density Partitioning method. It was found that H-(Be)2-H and H-(Be)3-H clusters are linear with classical two-center two-electron bonds, while for n > 3, three-dimensional structures are more stable with multicenter bonding. Thus, at n = 4, multicenter bonding wins the tug-of-war vs. the classical bonding.

Two Carrier Analysis of Persistent Photoconductivity in Modulation-Doped Structures

NASA Technical Reports Server (NTRS)

Schacham, S. E.; Mena, R. A.; Haugland, E. J.; Alterovitz, S. A.

1995-01-01

A simultaneous fit of Hall and conductivity data gives quantitative results on the carrier concentration and mobility in both the quantum well and the parallel conduction channel. In this study this method was applied to reveal several new findings on the effect of persistent photoconductivity (PPC) on free-carrier concentrations and mobilities. The increase in the two-dimensional electron-gas (2DEG) concentration is significantly smaller than the apparent one derived from single carrier analysis of the Hall coefficient. In the two types of structures investigated, delta doped and continuously doped barrier, the apparent concentration almost doubles following illumination, while analysis reveals an increase of about 20% in the 2DEG. The effect of PPC on mobility depends on the structure. For the sample with a continuously doped barrier the mobility in the quantum well more than doubles. This increase is attributed to the effective screening of the ionized donors by the large electron concentration in the barrier. In the delta doped barrier sample the mobility is reduced by almost a factor of 2. This decrease is probably caused by strong coupling between the two wells, as is demonstrated by self-consistent analysis.

Computational Control of Flexible Aerospace Systems

NASA Technical Reports Server (NTRS)

Sharpe, Lonnie, Jr.; Shen, Ji Yao

1994-01-01

The main objective of this project is to establish a distributed parameter modeling technique for structural analysis, parameter estimation, vibration suppression and control synthesis of large flexible aerospace structures. This report concentrates on the research outputs produced in the last two years of the project. The main accomplishments can be summarized as follows. A new version of the PDEMOD Code had been completed. A theoretical investigation of the NASA MSFC two-dimensional ground-based manipulator facility by using distributed parameter modelling technique has been conducted. A new mathematical treatment for dynamic analysis and control of large flexible manipulator systems has been conceived, which may provide a embryonic form of a more sophisticated mathematical model for future modified versions of the PDEMOD Codes.

Two-dimensional fluorescence correlation spectroscopy: resolution of fluorescence of tryptophan residues in horse heart myoglobin.

PubMed

Nakashima, Kenichi; Yuda, Kazuki; Ozaki, Yukihiro; Noda, Isao

2003-11-01

Generalized two-dimensional (2D) fluorescence correlation spectroscopy has been used to resolve fluorescence of two tryptophan (Trp) residues in horse heart myoglobin. Fluorescence quenching is employed as a perturbation mode for causing intensity changes in the fluorescence (quenching perturbation). Two kinds of quenchers, iodide ion and acrylamide, are used for inducing fluorescence intensity change. This technique works because the Trp residue located at the 7th position (W7) is known to be easily accessible to the quencher, whereas that located at the 14th position (W14) is not. By this technique, the fluorescence spectra of the two Trp residues were clearly resolved. From asynchronous maps, it was also shown that the quenching of W7 fluorescence is brought about prior to the quenching of W14 fluorescence. This result is consistent with the structure of horse heart myoglobin that was proposed earlier. Furthermore, it was elucidated that the present 2D analysis is not interfered with by Raman bands of the solvents, which sometimes brings difficulty into conventional fluorescence analysis.

Spatiotemporal Permutation Entropy as a Measure for Complexity of Cardiac Arrhythmia

NASA Astrophysics Data System (ADS)

Schlemmer, Alexander; Berg, Sebastian; Lilienkamp, Thomas; Luther, Stefan; Parlitz, Ulrich

2018-05-01

Permutation entropy (PE) is a robust quantity for measuring the complexity of time series. In the cardiac community it is predominantly used in the context of electrocardiogram (ECG) signal analysis for diagnoses and predictions with a major application found in heart rate variability parameters. In this article we are combining spatial and temporal PE to form a spatiotemporal PE that captures both, complexity of spatial structures and temporal complexity at the same time. We demonstrate that the spatiotemporal PE (STPE) quantifies complexity using two datasets from simulated cardiac arrhythmia and compare it to phase singularity analysis and spatial PE (SPE). These datasets simulate ventricular fibrillation (VF) on a two-dimensional and a three-dimensional medium using the Fenton-Karma model. We show that SPE and STPE are robust against noise and demonstrate its usefulness for extracting complexity features at different spatial scales.

Erratum: Retraction Note to: Two-Dimensional Simulation of Percolation Structure in Two-Phase Composites

NASA Astrophysics Data System (ADS)

Shin, Soon-Gi

2018-03-01

This article [1] has been retracted at the request of the Editor-in-Chief. Concerns were raised regarding substantial duplications with previous articles published in other journals. After a thorough analysis, we conclude that the concerns are valid. The article contains sections that substantially overlap with the following published article [2] (amongst others). S.-G. Shin has not responded to correspondence from the Editor about this retraction.

Direct numerical simulation of axisymmetric turbulence

NASA Astrophysics Data System (ADS)

Qu, Bo; Bos, Wouter J. T.; Naso, Aurore

2017-09-01

The dynamics of decaying, strictly axisymmetric, incompressible turbulence is investigated using direct numerical simulations. It is found that the angular momentum is a robust invariant of the system. It is further shown that long-lived coherent structures are generated by the flow. These structures can be associated with stationary solutions of the Euler equations. The structures obey relations in agreement with predictions from selective decay principles, compatible with the decay laws of the system. Two different types of decay scenarios are highlighted. The first case results in a quasi-two-dimensional flow with a dynamical behavior in the poloidal plane similar to freely decaying two-dimensional turbulence. In a second regime, the long-time dynamics is dominated by a single three-dimensional mode.

The ground state of two-dimensional silicon

NASA Astrophysics Data System (ADS)

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

2018-07-01

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

On equations of motion of a nonlinear hydroelastic structure

NASA Astrophysics Data System (ADS)

Plotnikov, P. I.; Kuznetsov, I. V.

2008-07-01

Formal derivation of equations of a nonlinear hydroelastic structure, which is a volume of an ideal incompressible fluid covered by a shell, is proposed. The study is based on two assumptions. The first assumption implies that the energy stored in the shell is completely determined by the mean curvature and by the elementary area. In a three-dimensional case, the energy stored in the shell is chosen in the form of the Willmore functional. In a two-dimensional case, a more generic form of the functional can be considered. The second assumption implies that the equations of motionhave a Hamiltonian structure and can be obtained from the Lagrangian variational principle. In a two-dimensional case, a condition for the hydroelastic structure is derived, which relates the external pressure and the curvature of the elastic shell.

3D structure of individual nanocrystals in solution by electron microscopy

NASA Astrophysics Data System (ADS)

Park, Jungwon; Elmlund, Hans; Ercius, Peter; Yuk, Jong Min; Limmer, David T.; Chen, Qian; Kim, Kwanpyo; Han, Sang Hoon; Weitz, David A.; Zettl, A.; Alivisatos, A. Paul

2015-07-01

Knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unordered nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.

Novel bimetallic thiocyanate-bridged Cu(II)-Hg(II) compounds-synthesis, X-Ray studies and magnetic properties

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

Machura, B., E-mail: basia@ich.us.edu.pl; Switlicka, A.; Zwolinski, P.

2013-01-15

Seven novel heterobimetallic Cu/Hg polymers based on thiocyanate bridges have been synthesised and characterised by means of IR, EPR, magnetic measurements and single crystal X-Ray. Three of them, [Cu(pzH){sub 4}Hg(SCN){sub 4}]{sub n} (1) [Cu(indH){sub 4}Hg(SCN){sub 4}]{sub n} (2) and [Cu(ampy){sub 2}Hg(SCN){sub 4}]{sub n} (3), have one-dimensional coordination structure. Two compounds [Cu(pzH){sub 2}Hg(SCN){sub 4}]{sub n} (4) and [Cu(abzimH)Hg(SCN){sub 4}]{sub n} (5) form two-dimensional nets, whereas the complexes [Cu(pyCN){sub 2}Hg(SCN){sub 4}]{sub n} (6) and [Cu(pyCH(OH)(OMe)){sub 2}Hg(SCN){sub 4}]{sub n} (7) are three-dimensional coordination polymers. The chains of 1 are connected by the intermolecular N-H Bullet Bullet Bullet N hydrogen bonds to the threemore » dimensional net. In 2 the N-H Bullet Bullet Bullet S hydrogen bonds link the polymeric chains to the two dimensional layer extending along crystallographic (0 0 1) plane. The polymeric chains of compound 3 are joined by the intermolecular N-H Bullet Bullet Bullet N and N-H Bullet Bullet Bullet S hydrogen bonds to the three dimensional net. The polymeric layers of 4 are connected by the intermolecular N-H Bullet Bullet Bullet N hydrogen bonds to the three dimensional net. - Graphical abstract: Novel bimetallic thiocyanate-bridged Cu(II)-Hg(II) compound-synthesis,X-Ray studies and magnetic properties. Highlights: Black-Right-Pointing-Pointer Novel heterobimetallic Cu/Hg coordination polymers were synthesised. Black-Right-Pointing-Pointer The multidimensional structures have been proved by single X-ray analysIs. Black-Right-Pointing-Pointer A variation in the crystalline architectures was observed depending on auxiliary ligands. Black-Right-Pointing-Pointer Magnetic measurements indicate weak exchange interaction between Cu(II) in the crystal lattices below 10 K.« less

Two-Dimensional Fourier Transform Analysis of Helicopter Flyover Noise

NASA Technical Reports Server (NTRS)

SantaMaria, Odilyn L.; Farassat, F.; Morris, Philip J.

1999-01-01

A method to separate main rotor and tail rotor noise from a helicopter in flight is explored. Being the sum of two periodic signals of disproportionate, or incommensurate frequencies, helicopter noise is neither periodic nor stationary. The single Fourier transform divides signal energy into frequency bins of equal size. Incommensurate frequencies are therefore not adequately represented by any one chosen data block size. A two-dimensional Fourier analysis method is used to separate main rotor and tail rotor noise. The two-dimensional spectral analysis method is first applied to simulated signals. This initial analysis gives an idea of the characteristics of the two-dimensional autocorrelations and spectra. Data from a helicopter flight test is analyzed in two dimensions. The test aircraft are a Boeing MD902 Explorer (no tail rotor) and a Sikorsky S-76 (4-bladed tail rotor). The results show that the main rotor and tail rotor signals can indeed be separated in the two-dimensional Fourier transform spectrum. The separation occurs along the diagonals associated with the frequencies of interest. These diagonals are individual spectra containing only information related to one particular frequency.

WebCSD: the online portal to the Cambridge Structural Database

PubMed Central

Thomas, Ian R.; Bruno, Ian J.; Cole, Jason C.; Macrae, Clare F.; Pidcock, Elna; Wood, Peter A.

2010-01-01

WebCSD, a new web-based application developed by the Cambridge Crystallographic Data Centre, offers fast searching of the Cambridge Structural Database using only a standard internet browser. Search facilities include two-dimensional substructure, molecular similarity, text/numeric and reduced cell searching. Text, chemical diagrams and three-dimensional structural information can all be studied in the results browser using the efficient entry summaries and embedded three-dimensional viewer. PMID:22477776

The Edinburgh Postnatal Depression Scale: Screening Tool for Postpartum Anxiety as Well? Findings from a Confirmatory Factor Analysis of the Hebrew Version.

PubMed

Bina, Rena; Harrington, Donna

2016-04-01

The Edinburgh Postnatal Depression Scale (EPDS) was originally created as a uni-dimensional scale to screen for postpartum depression (PPD); however, evidence from various studies suggests that it is a multi-dimensional scale measuring mainly anxiety in addition to depression. The factor structure of the EPDS seems to differ across various language translations, raising questions regarding its stability. This study examined the factor structure of the Hebrew version of the EPDS to assess whether it is uni- or multi-dimensional. Seven hundred and fifteen (n = 715) women were screened at 6 weeks postpartum using the Hebrew version of the EPDS. Confirmatory factor analysis (CFA) was used to test four models derived from the literature. Of the four CFA models tested, a 9-item two factor model fit the data best, with one factor representing an underlying depression construct and the other representing an underlying anxiety construct. for Practice The Hebrew version of the EPDS appears to consist of depression and anxiety sub-scales. Given the widespread PPD screening initiatives, anxiety symptoms should be addressed in addition to depressive symptoms, and a short scale, such as the EPDS, assessing both may be efficient.

On the Limiting Markov Process of Energy Exchanges in a Rarely Interacting Ball-Piston Gas

NASA Astrophysics Data System (ADS)

Bálint, Péter; Gilbert, Thomas; Nándori, Péter; Szász, Domokos; Tóth, Imre Péter

2017-02-01

We analyse the process of energy exchanges generated by the elastic collisions between a point-particle, confined to a two-dimensional cell with convex boundaries, and a `piston', i.e. a line-segment, which moves back and forth along a one-dimensional interval partially intersecting the cell. This model can be considered as the elementary building block of a spatially extended high-dimensional billiard modeling heat transport in a class of hybrid materials exhibiting the kinetics of gases and spatial structure of solids. Using heuristic arguments and numerical analysis, we argue that, in a regime of rare interactions, the billiard process converges to a Markov jump process for the energy exchanges and obtain the expression of its generator.

Variable dimensionality in the uranium fluoride/2-methyl-piperazine system: Synthesis and structures of UFO-5, -6, and -7; Zero-, one-, and two-dimensional materials with unprecedented topologies

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

Francis, R.J.; Halasyamani, P.S.; Bee, J.S.

Recently, low temperature (T < 300 C) hydrothermal reactions of inorganic precursors in the presence of organic cations have proven highly productive for the synthesis of novel solid-state materials. Interest in these materials is driven by the astonishingly diverse range of structures produced, as well as by their many potential materials chemistry applications. This report describes the high yield, phase pure hydrothermal syntheses of three new uranium fluoride phases with unprecedented structure types. Through the systematic control of the synthesis conditions the authors have successfully controlled the architecture and dimensionality of the phase formed and selectively synthesized novel zero-, one-,more » and two-dimensional materials.« less

Impedance Eduction in Sound Fields With Peripherally Varying Liners and Flow

NASA Technical Reports Server (NTRS)

Watson, W. R.; Jones, M. G.

2015-01-01

A two-dimensional impedance eduction theory is extended to three-dimensional sound fields and peripherally varying duct liners. The approach is to first measure the acoustic pressure field at a series of flush-mounted wall microphones located around the periphery of the flow duct. The numerical solution for the acoustic pressure field at these microphones is also obtained by solving the three-dimensional convected Helmholtz equation using the finite element method. A quadratic objective function based on the difference between the measured and finite element solution is constructed and the unknown impedance function is obtained by minimizing this objective function. Impedance spectra educed for two uniform-structure liners (a wire-mesh and a conventional liner) and a hard-soft-hard peripherally varying liner (for which the soft segment is that of the conventional liner) are presented. Results are presented at three mean flow Mach numbers and fourteen sound source frequencies. The impedance spectra of the uniform-structure liners are also computed using a two-dimensional impedance eduction theory. The primary conclusions of the study are: 1) when measured data is used with the uniform-structure liners, the three-dimensional theory reproduces the same impedance spectra as the two-dimensional theory except for frequencies corresponding to very low or very high liner attenuation; and 2) good agreement between the educed impedance spectra of the uniform structure conventional liner and the soft segment of the peripherally varying liner is obtained.

Aerodynamic Shape Sensitivity Analysis and Design Optimization of Complex Configurations Using Unstructured Grids

NASA Technical Reports Server (NTRS)

Taylor, Arthur C., III; Newman, James C., III; Barnwell, Richard W.

1997-01-01

A three-dimensional unstructured grid approach to aerodynamic shape sensitivity analysis and design optimization has been developed and is extended to model geometrically complex configurations. The advantage of unstructured grids (when compared with a structured-grid approach) is their inherent ability to discretize irregularly shaped domains with greater efficiency and less effort. Hence, this approach is ideally suited for geometrically complex configurations of practical interest. In this work the nonlinear Euler equations are solved using an upwind, cell-centered, finite-volume scheme. The discrete, linearized systems which result from this scheme are solved iteratively by a preconditioned conjugate-gradient-like algorithm known as GMRES for the two-dimensional geometry and a Gauss-Seidel algorithm for the three-dimensional; similar procedures are used to solve the accompanying linear aerodynamic sensitivity equations in incremental iterative form. As shown, this particular form of the sensitivity equation makes large-scale gradient-based aerodynamic optimization possible by taking advantage of memory efficient methods to construct exact Jacobian matrix-vector products. Simple parameterization techniques are utilized for demonstrative purposes. Once the surface has been deformed, the unstructured grid is adapted by considering the mesh as a system of interconnected springs. Grid sensitivities are obtained by differentiating the surface parameterization and the grid adaptation algorithms with ADIFOR (which is an advanced automatic-differentiation software tool). To demonstrate the ability of this procedure to analyze and design complex configurations of practical interest, the sensitivity analysis and shape optimization has been performed for a two-dimensional high-lift multielement airfoil and for a three-dimensional Boeing 747-200 aircraft.

Structural determination of a 5-acetamido-3,5,7, 9-tetradeoxy-7-(3-hydroxybutyramido)-L-glycero-L-manno-nonulos onic acid-containing homopolysaccharide isolated from Sinorhizobium fredii HH103.

PubMed Central

Gil-Serrano, A M; Rodríguez-Carvajal, M A; Tejero-Mateo, P; Espartero, J L; Menendez, M; Corzo, J; Ruiz-Sainz, J E; BuendíA-Clavería, A M

1999-01-01

The structure of a polysaccharide from Sinorhizobium fredii HH103 has been determined. This polysaccharide was isolated by following the protocol for lipopolysaccharide extraction. On the basis of monosaccharide analysis, methylation analysis, fast atom bombardment MS, matrix-assisted laser desorption ionization MS, electron-impact high-resolution MS, one-dimensional (1)H-NMR and (13)C-NMR and two-dimensional NMR experiments, the structure was shown to consist of a homopolymer of a 3:1 mixture of 5-acetamido-3,5,7, 9-tetradeoxy-7-[(R)- and (S)-3-hydroxybutyramido]-l-glycero-l-manno-nonulosonic acid. The sugar residues are attached via a glycosidic linkage to the OH group of the 3-hydroxybutyramido substituent and thus the monomers are linked via both glycosidic and amidic linkages. In contrast with the Sinorhizobium K-antigens previously reported, which are composed of a disaccharide repeating unit, the K-antigen polysacharide of S. fredii HH103 is a homopolysaccharide. PMID:10477263

Creating 3D Physical Models to Probe Student Understanding of Macromolecular Structure

ERIC Educational Resources Information Center

Cooper, A. Kat; Oliver-Hoyo, M. T.

2017-01-01

The high degree of complexity of macromolecular structure is extremely difficult for students to process. Students struggle to translate the simplified two-dimensional representations commonly used in biochemistry instruction to three-dimensional aspects crucial in understanding structure-property relationships. We designed four different physical…

Mathematical modeling of transformation process of structurally unstable magnetic configurations into structurally stable ones in two-dimensional and three-dimensional geometry

NASA Astrophysics Data System (ADS)

Inovenkov, Igor; Echkina, Eugenia; Ponomarenko, Loubov

Magnetic reconnection is a fundamental process in astrophysical, space and laboratory plasma. In essence, it represents a change of topology of the magnetic field caused by readjustment of the structure of the magnetic field lines. This change leads to release of energy accumulated in the field. We consider transformation process of structurally unstable magnetic configurations into the structurally steady ones from the point of view of the Catastrophe theory. Special attention is paid to modeling of evolution of the structurally unstable three-dimensional magnetic fields.

Balancing Newtonian gravity and spin to create localized structures

NASA Astrophysics Data System (ADS)

Bush, Michael; Lindner, John

2015-03-01

Using geometry and Newtonian physics, we design localized structures that do not require electromagnetic or other forces to resist implosion or explosion. In two-dimensional Euclidean space, we find an equilibrium configuration of a rotating ring of massive dust whose inward gravity is the centripetal force that spins it. We find similar solutions in three-dimensional Euclidean and hyperbolic spaces, but only in the limit of vanishing mass. Finally, in three-dimensional Euclidean space, we generalize the two-dimensional result by finding an equilibrium configuration of a spherical shell of massive dust that supports itself against gravitational collapse by spinning isoclinically in four dimensions so its three-dimensional acceleration is everywhere inward. These Newtonian ``atoms'' illuminate classical physics and geometry.

Polarization engineered enhancement mode GaN HEMT: Design and investigation

NASA Astrophysics Data System (ADS)

Verma, Sumit; Loan, Sajad A.; Alharbi, Abdullah G.

2018-07-01

In this paper, we propose and perform the experimentally calibrated simulation of a novel structure of a GaN/AlGaN high electron mobility transistor (HEMT). The novelty of the structure is the realization of enhancement mode operation by employing polarization engineering approach. In the proposed polarization engineered HEMT (PE-HEMT) a buried Aluminum Nitride (AlN) box is employed in the GaN layer just below the gate. The AlN box creates a two-dimensional hole gas (2DHG) at the GaN/AlN interface, which creates a conduction band barrier in the path of the already existing two-dimensional electron gas (2DEG) at GaN/AlGaN. Therefore, there is no direct path between the source and drain regions at zero gate voltage due to the barrier created by AIN and the device is initially OFF, an enhancement mode operation. A two dimensional (2D) calibrated simulation study of proposed PE-HEMT shows that the device has a threshold voltage (Vth) of 2.3 V. The PE-HEMT also reduces the electron spillover and thus improves the breakdown voltage by 108% as compared to conventional HEMT. The thermal analysis of the GaN PE-HEMT shows that a hot zone occurs on the drain side gate edge. It has been observed that the drain current in the PE-HEMT structure can be improved by 157% by using AlN heat sink.

Scientific Visualization to Study Flux Transfer Events at the Community Coordinated Modeling Center

NASA Technical Reports Server (NTRS)

Rastatter, Lutz; Kuznetsova, Maria M.; Sibeck, David G.; Berrios, David H.

2011-01-01

In this paper we present results of modeling of reconnection at the dayside magnetopause with subsequent development of flux transfer event signatures. The tools used include new methods that have been added to the suite of visualization methods that are used at the Community Coordinated Modeling Center (CCMC). Flux transfer events result from localized reconnection that connect magnetosheath magnetic field and plasma with magnetospheric fields and plasma and results in flux rope structures that span the dayside magnetopause. The onset of flux rope formation and the three-dimensional structure of flux ropes are studied as they have been modeled by high-resolution magnetohydrodynamic simulations of the dayside magnetosphere of the Earth. We show that flux transfer events are complex three-dimensional structures that require modern visualization and analysis techniques. Two suites of visualization methods are presented and we demonstrate the usefulness of those methods through the CCMC web site to the general science user.

New on-line separation workflow of microbial metabolites via hyphenation of analytical and preparative comprehensive two-dimensional liquid chromatography.

PubMed

Yan, Xia; Wang, Li-Juan; Wu, Zhen; Wu, Yun-Long; Liu, Xiu-Xiu; Chang, Fang-Rong; Fang, Mei-Juan; Qiu, Ying-Kun

2016-10-15

Microbial metabolites represent an important source of bioactive natural products, but always exhibit diverse of chemical structures or complicated chemical composition with low active ingredients content. Traditional separation methods rely mainly on off-line combination of open-column chromatography and preparative high performance liquid chromatography (HPLC). However, the multi-step and prolonged separation procedure might lead to exposure to oxygen and structural transformation of metabolites. In the present work, a new two-dimensional separation workflow for fast isolation and analysis of microbial metabolites from Chaetomium globosum SNSHI-5, a cytotoxic fungus derived from extreme environment. The advantage of this analytical comprehensive two-dimensional liquid chromatography (2D-LC) lies on its ability to analyze the composition of the metabolites, and to optimize the separation conditions for the preparative 2D-LC. Furthermore, gram scale preparative 2D-LC separation of the crude fungus extract could be performed on a medium-pressure liquid chromatograph×preparative high-performance liquid chromatography system, under the optimized condition. Interestingly, 12 cytochalasan derivatives, including two new compounds named cytoglobosin Ab (3) and isochaetoglobosin Db (8), were successfully obtained with high purity in a short period of time. The structures of the isolated metabolites were comprehensively characterized by HR ESI-MS and NMR. To be highlighted, this is the first report on the combination of analytical and preparative 2D-LC for the separation of microbial metabolites. The new workflow exhibited apparent advantages in separation efficiency and sample treatment capacity compared with conventional methods. Copyright © 2016 Elsevier B.V. All rights reserved.

Highly sensitive and selective analysis of urinary steroids by comprehensive two-dimensional gas chromatography combined with positive chemical ionization quadrupole mass spectrometry

PubMed Central

Zhang, Ying; Tobias, Herbert J.; Brenna, J. Thomas

2014-01-01

Comprehensive two dimensional gas chromatography (GC×GC) provides greater separation space than conventional GC. Because of fast peak elution, a time of flight mass spectrometer (TOFMS) is the usual structure-specific detector of choice. The quantitative capabilities of a novel GC×GC fast quadrupole MS were investigated with electron ionization (EI), and CH4 or NH3 positive chemical ionization (PCI) for analysis of endogenous urinary steroids targeted in anti-doping tests. Average precisions for steroid quantitative analysis from replicate urine extractions were 6% (RSD) for EI and 8% for PCI-NH3. The average limits of detection (LOD) calculated by quantification ions for 12 target steroids spiked into steroid-free urine matrix (SFUM) were 2.6 ng mL−1 for EI, 1.3 ng mL−1 for PCI-CH4, and 0.3 ng mL−1 for PCI-NH3, all in mass scanning mode. The measured limits of quantification (LOQ) with full mass scan GC×GC-qMS were comparable with the LOQ values measured by one-dimensional GC-MS in single ion monitoring (SIM) mode. PCI-NH3 yields fewer fragments and greater (pseudo)molecular ion abundances than EI or PCI-CH4. These data show a benchtop GC×GC-qMS system has the sensitivity, specificity, and resolution to analyze urinary steroids at normal urine concentrations, and that PCI-NH3, not currently available on most GC×GC-TOFMS instruments, is of particular value for generation of structure-specific ions. PMID:22606686

Broken Ergodicity in Two-Dimensional Homogeneous Magnetohydrodynamic Turbulence

NASA Technical Reports Server (NTRS)

Shebalin, John V.

2010-01-01

Two-dimensional (2-D) homogeneous magnetohydrodynamic (MHD) turbulence has many of the same qualitative features as three-dimensional (3-D) homogeneous MHD turbulence.The se features include several ideal invariants, along with the phenomenon of broken ergodicity. Broken ergodicity appears when certain modes act like random variables with mean values that are large compared to their standard deviations, indicating a coherent structure or dynamo.Recently, the origin of broken ergodicity in 3-D MHD turbulence that is manifest in the lowest wavenumbers was explained. Here, a detailed description of the origins of broken ergodicity in 2-D MHD turbulence is presented. It will be seen that broken ergodicity in ideal 2-D MHD turbulence can be manifest in the lowest wavenumbers of a finite numerical model for certain initial conditions or in the highest wavenumbers for another set of initial conditions.T he origins of broken ergodicity in ideal 2-D homogeneous MHD turbulence are found through an eigen analysis of the covariance matrices of the modal probability density functions.It will also be shown that when the lowest wavenumber magnetic field becomes quasi-stationary, the higher wavenumber modes can propagate as Alfven waves on these almost static large-scale magnetic structures

Phonons, Diffusons, and the Boson Peak in Two-Dimensional Lattices with Random Bonds

NASA Astrophysics Data System (ADS)

Konyukh, D. A.; Bel'tyukov, Ya. M.; Parshin, D. A.

2018-02-01

Within the model of stable random matrices possessing translational invariance, a two-dimensional (on a square lattice) disordered oscillatory system with random strongly fluctuating bonds is considered. By a numerical analysis of the dynamic structure factor S( q, ω), it is shown that vibrations with frequencies below the Ioffe-Regel frequency ωIR are ordinary phonons with a linear dispersion law ω( q) ∝ q and a reciprocal lifetime б q 3. Vibrations with frequencies above ωIR, although being delocalized, cannot be described by plane waves with a definite dispersion law ω( q). They are characterized by a diffusion structure factor with a reciprocal lifetime б q 2, which is typical of a diffusion process. In the literature, they are often referred to as diffusons. It is shown that, as in the three-dimensional model, the boson peak at the frequency ωb in the reduced density of vibrational states g(ω)/ω is on the order of the frequency ωIR. It is located in the transition region between phonons and diffusons and is proportional to the Young's modulus of the lattice, ω b ≃ E.

Principal component analysis and the locus of the Fréchet mean in the space of phylogenetic trees.

PubMed

Nye, Tom M W; Tang, Xiaoxian; Weyenberg, Grady; Yoshida, Ruriko

2017-12-01

Evolutionary relationships are represented by phylogenetic trees, and a phylogenetic analysis of gene sequences typically produces a collection of these trees, one for each gene in the analysis. Analysis of samples of trees is difficult due to the multi-dimensionality of the space of possible trees. In Euclidean spaces, principal component analysis is a popular method of reducing high-dimensional data to a low-dimensional representation that preserves much of the sample's structure. However, the space of all phylogenetic trees on a fixed set of species does not form a Euclidean vector space, and methods adapted to tree space are needed. Previous work introduced the notion of a principal geodesic in this space, analogous to the first principal component. Here we propose a geometric object for tree space similar to the [Formula: see text]th principal component in Euclidean space: the locus of the weighted Fréchet mean of [Formula: see text] vertex trees when the weights vary over the [Formula: see text]-simplex. We establish some basic properties of these objects, in particular showing that they have dimension [Formula: see text], and propose algorithms for projection onto these surfaces and for finding the principal locus associated with a sample of trees. Simulation studies demonstrate that these algorithms perform well, and analyses of two datasets, containing Apicomplexa and African coelacanth genomes respectively, reveal important structure from the second principal components.

Microreplication of laser-fabricated surface and three-dimensional structures

NASA Astrophysics Data System (ADS)

Koroleva, Anastasia; Schlie, Sabrina; Fadeeva, Elena; Gittard, Shaun D.; Miller, Philip; Ovsianikov, Aleksandr; Koch, Jürgen; Narayan, Roger J.; Chichkov, Boris N.

2010-12-01

The fabrication of defined surface topographies and three-dimensional structures is a challenging process for various applications, e.g. in photonics and biomedicine. Laser-based technologies provide a promising approach for the production of such structures. The advantages of femtosecond laser ablation and two-photon polymerization for microstructuring are well known. However, these methods cannot be applied to all materials and are limited by their high cost and long production time. In this study, biomedical applications of an indirect rapid prototyping, molding microreplication of laser-fabricated two- and three-dimensional structures are examined. We demonstrate that by this method any laser-generated surface topography as well as three-dimensional structures can be replicated in various materials without losing the original geometry. The replication into multiple copies enables fast and perfect reproducibility of original microstructures for investigations of cell-surface interactions. Compared to unstructured materials, we observe that microstructures have strong influence on morphology and localization of fibroblasts, whereas neuroblastoma cells are not negatively affected.

Isolating long-wavelength fluctuation from structural relaxation in two-dimensional glass: cage-relative displacement

NASA Astrophysics Data System (ADS)

Shiba, Hayato; Keim, Peter; Kawasaki, Takeshi

2018-03-01

It has recently been revealed that long-wavelength fluctuation exists in two-dimensional (2D) glassy systems, having the same origin as that given by the Mermin-Wagner theorem for 2D crystalline solids. In this paper, we discuss how to characterise quantitatively the long-wavelength fluctuation in a molecular dynamics simulation of a lightly supercooled liquid. We employ the cage-relative mean-square displacement (MSD), defined on relative displacement to its cage, to quantitatively separate the long-wavelength fluctuation from the original MSD. For increasing system size the amplitude of acoustic long wavelength fluctuations not only increases but shifts to later times causing a crossover with structural relaxation of caging particles. We further analyse the dynamic correlation length using the cage-relative quantities. It grows as the structural relaxation becomes slower with decreasing temperature, uncovering an overestimation by the four-point correlation function due to the long-wavelength fluctuation. These findings motivate the usage of cage-relative MSD as a starting point for analysis of 2D glassy dynamics.

Analysis of Helimak Plasma Using Movies of Density Contours

NASA Astrophysics Data System (ADS)

Williams, Chad; Gentle, Kenneth; Li, Bo

2013-10-01

Using an array of Langmuir probes we have created two-dimensional contour plot movies showing the arrangement, convection, and time sequence of plasma structures inside of the Texas Helimak, which approximates aspects of the tokamak SOL. These structures are seen to vary with time, magnetic field line pitch, and applied bias voltage. The probes are distributed in two sets of 48 probes arranged in a grid with two centimeter spacing, providing good spatial resolution of these structures. We find that, for negative biases, the plasma moves away from the biased plate in agreement with the simulations. For positive biases, the plasma is found close to the bias plate. Positive biases are seen to induce more radial convection than the negatively biased case. While all structures vary with time, those at lower magnetic field line pitch are seen to vary most dramatically.

PARTIAL RESTRAINING FORCE INTRODUCTION METHOD FOR DESIGNING CONSTRUCTION COUNTERMESURE ON ΔB METHOD

NASA Astrophysics Data System (ADS)

Nishiyama, Taku; Imanishi, Hajime; Chiba, Noriyuki; Ito, Takao

Landslide or slope failure is a three-dimensional movement phenomenon, thus a three-dimensional treatment makes it easier to understand stability. The ΔB method (simplified three-dimensional slope stability analysis method) is based on the limit equilibrium method and equals to an approximate three-dimensional slope stability analysis that extends two-dimensional cross-section stability analysis results to assess stability. This analysis can be conducted using conventional spreadsheets or two-dimensional slope stability computational software. This paper describes the concept of the partial restraining force in-troduction method for designing construction countermeasures using the distribution of the restraining force found along survey lines, which is based on the distribution of survey line safety factors derived from the above-stated analysis. This paper also presents the transverse distributive method of restraining force used for planning ground stabilizing on the basis of the example analysis.

Sculpting Cells with Play Doh.

ERIC Educational Resources Information Center

Way, Virginia A.

1982-01-01

Suggests using Play Doh to mold models of the nucleus, mitochondria, and inner cellular structures. Students can conceptualize the cell's structures as three-dimensional even though they appear two-dimensional under a microscope. Includes instructions for preparing homemade dough. (Author/JN)

Graphic kinematics, visual virtual work and elastographics

PubMed Central

Konstantatou, Marina; Athanasopoulos, Georgios; Hannigan, Laura

2017-01-01

In this paper, recent progress in graphic statics is combined with Williot displacement diagrams to create a graphical description of both statics and kinematics for two- and three-dimensional pin-jointed trusses. We begin with reciprocal form and force diagrams. The force diagram is dissected into its component cells which are then translated relative to each other. This defines a displacement diagram which is topologically equivalent to the form diagram (the structure). The various contributions to the overall Virtual Work appear as parallelograms (for two-dimensional trusses) or parallelopipeds (for three-dimensional trusses) that separate the force and the displacement pieces. Structural mechanisms can be identified by translating the force cells such that their shared faces slide across each other without separating. Elastic solutions can be obtained by choosing parallelograms or parallelopipeds of the appropriate aspect ratio. Finally, a new type of ‘elastographic’ diagram—termed a deformed Maxwell–Williot diagram (two-dimensional) or a deformed Rankine–Williot diagram (three-dimensional)—is presented which combines the deflected structure with the forces carried by its members. PMID:28573030

Controlling flexible structures with second order actuator dynamics

NASA Technical Reports Server (NTRS)

Inman, Daniel J.; Umland, Jeffrey W.; Bellos, John

1989-01-01

The control of flexible structures for those systems with actuators that are modeled by second order dynamics is examined. Two modeling approaches are investigated. First a stability and performance analysis is performed using a low order finite dimensional model of the structure. Secondly, a continuum model of the flexible structure to be controlled, coupled with lumped parameter second order dynamic models of the actuators performing the control is used. This model is appropriate in the modeling of the control of a flexible panel by proof-mass actuators as well as other beam, plate and shell like structural numbers. The model is verified with experimental measurements.

Vorticity filaments in two-dimensional turbulence: creation, stability and effect

NASA Astrophysics Data System (ADS)

Kevlahan, N. K.-R.; Farge, M.

1997-09-01

Vorticity filaments are characteristic structures of two-dimensional turbulence. The formation, persistence and effect of vorticity filaments are examined using a high-resolution direct numerical simulation (DNS) of the merging of two positive Gaussian vortices pushed together by a weaker negative vortex. Many intense spiral vorticity filaments are created during this interaction and it is shown using a wavelet packet decomposition that, as has been suggested, the coherent vortex stabilizes the filaments. This result is confirmed by a linear stability analysis at the edge of the vortex and by a calculation of the straining induced by the spiral structure of the filament in the vortex core. The time-averaged energy spectra for simulations using hyper-viscosity and Newtonian viscosity have slopes of [minus sign]3 and [minus sign]4 respectively. Apart from a much higher effective Reynolds number (which accounts for the difference in energy spectra), the hyper-viscous simulation has the same dynamics as the Newtonian viscosity simulation. A wavelet packet decomposition of the hyper-viscous simulation reveals that after the merger the energy spectra of the filamentary and coherent parts of the vorticity field have slopes of [minus sign]2 and [minus sign]6 respectively. An asymptotic analysis and DNS for weak external strain shows that a circular filament at a distance R from the vortex centre always reduces the deformation of a Lamb's (Gaussian) vortex in the region r[gt-or-equal, slanted]R. In the region r

A frequency-based window width optimized two-dimensional S-Transform profilometry

NASA Astrophysics Data System (ADS)

Zhong, Min; Chen, Feng; Xiao, Chao

2017-11-01

A new scheme is proposed to as a frequency-based window width optimized two-dimensional S-Transform profilometry, in which parameters pu and pv are introduced to control the width of a two-dimensional Gaussian window. Unlike the standard two-dimensional S-transform using the Gaussian window with window width proportional to the reciprocal local frequency of the tested signal, the size of window width for the optimized two-dimensional S-Transform varies with the pu th (pv th) power of the reciprocal local frequency fx (fy) in x (y) direction. The paper gives a detailed theoretical analysis of optimized two-dimensional S-Transform in fringe analysis as well as the characteristics of the modified Gauss window. Simulations are applied to evaluate the proposed scheme, the results show that the new scheme has better noise reduction ability and can extract phase distribution more precise in comparison with the standard two-dimensional S-transform even though the surface of the measured object varies sharply. Finally, the proposed scheme is demonstrated on three-dimensional surface reconstruction for a complex plastic cat mask to show its effectiveness.

Two-dimensional correlation and codistribution spectroscopy (2DCOS and 2DCDS) analyses of time-dependent ATR IR spectra of D-glucose anomers undergoing mutarotation process in water

NASA Astrophysics Data System (ADS)

Noda, Isao

2018-05-01

Two cyclic diastereoisomeric structures, known as α- and β-anomers of D-glucose with different configurations around C1 with OH groups in axial or equitroial positions, undergo the mutarotation conversion to each other in water. Two-dimensional correlation and codistribution spectroscopy (2DCOS and 2DCDS) analyses were applied to the time-dependent ATR IR spectra of aqueous solutions of α- and β-D-glucose undergoing such mutarotation conversion. 2DCOS analysis reveals that the increase and decrease in the IR intensities after the dissolution of α- or β-D-glucose are not fully synchronized, suggesting the mutarotation of D-glucose in water is not a simple binary conversion process but a multi-step reaction involving an intermediate species with a finite and observable concentration level and lifetime. 2DCDS analysis of the time-dependent ATR IR spectra clearly demonstrated the presence of intermediate species contributing to the band positions overlapped close to bands for α- and β-D-glucose. The fact that band positions identified for the intermediate species for α- to β-D-glucose conversion are the same for the reverse reaction suggests that they arise from the same species, most likely the open-ring structure produced by the hydrolysis.

Epi-Two-Dimensional Fluid Flow: A New Topological Paradigm for Dimensionality

NASA Astrophysics Data System (ADS)

Yoshida, Z.; Morrison, P. J.

2017-12-01

While a variety of fundamental differences are known to separate two-dimensional (2D) and three-dimensional (3D) fluid flows, it is not well understood how they are related. Conventionally, dimensional reduction is justified by an a priori geometrical framework; i.e., 2D flows occur under some geometrical constraint such as shallowness. However, deeper inquiry into 3D flow often finds the presence of local 2D-like structures without such a constraint, where 2D-like behavior may be identified by the integrability of vortex lines or vanishing local helicity. Here we propose a new paradigm of flow structure by introducing an intermediate class, termed epi-two-dimensional flow, and thereby build a topological bridge between 2D and 3D flows. The epi-2D property is local and is preserved in fluid elements obeying ideal (inviscid and barotropic) mechanics; a local epi-2D flow may be regarded as a "particle" carrying a generalized enstrophy as its charge. A finite viscosity may cause "fusion" of two epi-2D particles, generating helicity from their charges giving rise to 3D flow.

The STAGS computer code

NASA Technical Reports Server (NTRS)

Almroth, B. O.; Brogan, F. A.

1978-01-01

Basic information about the computer code STAGS (Structural Analysis of General Shells) is presented to describe to potential users the scope of the code and the solution procedures that are incorporated. Primarily, STAGS is intended for analysis of shell structures, although it has been extended to more complex shell configurations through the inclusion of springs and beam elements. The formulation is based on a variational approach in combination with local two dimensional power series representations of the displacement components. The computer code includes options for analysis of linear or nonlinear static stress, stability, vibrations, and transient response. Material as well as geometric nonlinearities are included. A few examples of applications of the code are presented for further illustration of its scope.

Ba2F2Fe2+ 0.5Fe3+ S3: a two-dimensional inhomogeneous mixed valence iron compound.

PubMed

Kabbour, Houria; Cario, Laurent

2008-03-03

The structure of the new mixed valence compound Ba2F2Fe1.5S3 was solved by means of single crystal X-ray analysis. It crystallizes in an orthorhombic cell, in the Pnma space group with the cell parameters a = 12.528(3) A, b = 18.852(4) A, and c = 6.0896(12) A. The structure is formed by the alternated stacking of fluorite type [Ba2F2]2+ blocks and the newly discovered [Fe1.5S3]2- blocks. This [Fe1.5S3]2- block exhibits a mixed valence of iron with Fe(+II) located in octahedrons and Fe(+III) in tetrahedrons. Preliminary susceptibility measurements suggest a low dimensional antiferromagnetic behavior.

Investigations of photosynthetic light harvesting by two-dimensional electronic spectroscopy

NASA Astrophysics Data System (ADS)

Read, Elizabeth Louise

Photosynthesis begins with the harvesting of sunlight by antenna pigments, organized in a network of pigment-protein complexes that rapidly funnel energy to photochemical reaction centers. The intricate design of these systems---the widely varying structural motifs of pigment organization within proteins and protein organization within a larger, cooperative network---underlies the remarkable speed and efficiency of light harvesting. Advances in femtosecond laser spectroscopy have enabled researchers to follow light energy on its course through the energetic levels of photosynthetic systems. Now, newly-developed femtosecond two-dimensional electronic spectroscopy reveals deeper insight into the fundamental molecular interactions and dynamics that emerge in these structures. The following chapters present investigations of a number of natural light-harvesting complexes using two-dimensional electronic spectroscopy. These studies demonstrate the various types of information contained in experimental two-dimensional spectra, and they show that the technique makes it possible to probe pigment-protein complexes on the length- and time-scales relevant to their functioning. New methods are described that further extend the capabilities of two-dimensional electronic spectroscopy, for example, by independently controlling the excitation laser pulse polarizations. The experiments, coupled with theoretical simulation, elucidate spatial pathways of energy flow, unravel molecular and electronic structures, and point to potential new quantum mechanical mechanisms of light harvesting.

Three-dimensional biofilm structure quantification.

PubMed

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

2004-12-01

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

Theory and Experiment Analysis of Two-Dimensional Acousto-Optic Interaction.

DTIC Science & Technology

1995-01-03

The universal coupled wave equation of two dimensional acousto optic effect has been deduced and the solution of normal Raman-Hath acousto optic diffraction...was derived from it. The theory was compared with the experimental results of a two dimensional acousto optic device consisting of two one dimensional modulators. The experiment results agree with the theory. (AN)

Identification of crystalline structures in jet-cooled acetylene large clusters studied by two-dimensional correlation infrared spectroscopy

NASA Astrophysics Data System (ADS)

Matsumoto, Yoshiteru; Yoshiura, Ryuto; Honma, Kenji

2017-07-01

We investigated the crystalline structures of jet-cooled acetylene (C2H2) large clusters by laser spectroscopy and chemometrics. The CH stretching vibrations of the C2H2 large clusters were observed by infrared (IR) cavity ringdown spectroscopy. The IR spectra of C2H2 clusters were measured under the conditions of various concentrations of C2H2/He mixture gas for supersonic jets. Upon increasing the gas concentration from 1% to 10%, we observed a rapid intensity enhancement for a band in the IR spectra. The strong dependence of the intensity on the gas concentration indicates that the band was assigned to CH stretching vibrations of the large clusters. An analysis of the IR spectra by two-dimensional correlation spectroscopy revealed that the IR absorption due to the C2H2 large cluster is decomposed into two CH stretching vibrations. The vibrational frequencies of the two bands are almost equivalent to the IR absorption of the pure- and poly-crystalline orthorhombic structures in the aerosol particles. The characteristic temperature behavior of the IR spectra implies the existence of the other large cluster, which is discussed in terms of the phase transition of a bulk crystal.

Three-dimensional structural dynamics of DNA origami Bennett linkages using individual-particle electron tomography

DOE PAGES

Lei, Dongsheng; Marras, Alexander E.; Liu, Jianfang; ...

2018-02-09

Scaffolded DNA origami has proven to be a powerful and efficient technique to fabricate functional nanomachines by programming the folding of a single-stranded DNA template strand into three-dimensional (3D) nanostructures, designed to be precisely motion-controlled. Although two-dimensional (2D) imaging of DNA nanomachines using transmission electron microscopy and atomic force microscopy suggested these nanomachines are dynamic in 3D, geometric analysis based on 2D imaging was insufficient to uncover the exact motion in 3D. In this paper, we use the individual-particle electron tomography method and reconstruct 129 density maps from 129 individual DNA origami Bennett linkage mechanisms at ~6-14 nm resolution. The statisticalmore » analyses of these conformations lead to understanding the 3D structural dynamics of Bennett linkage mechanisms. Moreover, our effort provides experimental verification of a theoretical kinematics model of DNA origami, which can be used as feedback to improve the design and control of motion via optimized DNA sequences and routing.« less

Three-dimensional structural dynamics of DNA origami Bennett linkages using individual-particle electron tomography

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

Lei, Dongsheng; Marras, Alexander E.; Liu, Jianfang

Scaffolded DNA origami has proven to be a powerful and efficient technique to fabricate functional nanomachines by programming the folding of a single-stranded DNA template strand into three-dimensional (3D) nanostructures, designed to be precisely motion-controlled. Although two-dimensional (2D) imaging of DNA nanomachines using transmission electron microscopy and atomic force microscopy suggested these nanomachines are dynamic in 3D, geometric analysis based on 2D imaging was insufficient to uncover the exact motion in 3D. In this paper, we use the individual-particle electron tomography method and reconstruct 129 density maps from 129 individual DNA origami Bennett linkage mechanisms at ~6-14 nm resolution. The statisticalmore » analyses of these conformations lead to understanding the 3D structural dynamics of Bennett linkage mechanisms. Moreover, our effort provides experimental verification of a theoretical kinematics model of DNA origami, which can be used as feedback to improve the design and control of motion via optimized DNA sequences and routing.« less

Synthesis and structural characterization of dinuclear Cd2+, Hg2+ and Fe2+ complexes with neutral bi and tetradentate flexible pyrazole-based ligands

NASA Astrophysics Data System (ADS)

Beheshti, Azizolla; Lalegani, Arash; Behvandi, Fatemeh; Safaeiyan, Forough; Sarkarzadeh, Afsoon; Bruno, Giuseppe; Amiri Rudbari, Hadi

2015-02-01

Four new complexes of [Hg2Cl4(bpp)]n (1), [Hg2Cl4(tdmpp)] (2), [Cd2I4(tdmpp)] (3) and [Fe2Cl4(tdmpp)] (4) were prepared by using the neutral N-donor ligands 1,3-bis(3,5-dimethyl-1-pyrazolyl)propane (bpp) and 1,1,3,3-tetrakis(3,5-dimethyl-1-pyrazolyl)propane (tdmpp) with different flexibility and appropriate metal salts of Cd(II), Hg(II) and Fe(II) ions. These compounds were characterized by the infrared spectroscopy, elemental analysis and X-ray crystallography. Flexible ligands and non-covalent Csbnd H⋯Cl hydrogen bonds play a major role in the crystal packing of compounds 1, 2 and 4. In the two-dimensional non-covalent structure of 1, there are two distinctly different coordination modes for the mercury atoms. One mercury atom has pseudo-trigonal bipyramidal geometry and the other adopts a distorted tetrahedral environment. In the dinuclear structures of 2 and 4 the neutral molecules are linked together by the Csbnd H⋯Cl hydrogen bonds, forming an infinite one-dimensional zigzag chain structure. Compounds 2-4 are isostructural with each other.

Dual curved photonic crystal ring resonator based channel drop filter using two-dimensional photonic crystal structure

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

Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com; Dusad, Lalit Kumar

In this paper channel drop filter (CDF) is designed using dual curved photonic crystal ring resonator (PCRR). The photonic band gap (PBG) is calculated by plane wave expansion (PWE) method and the photonic crystal (PhC) based on two dimensional (2D) square lattice periodic arrays of silicon (Si) rods in air structure have been investigated using finite difference time domain (FDTD) method. The number of rods in Z and X directions is 21 and 20 respectively with lattice constant 0.540 nm and rod radius r = 0.1 µm. The channel drop filter has been optimized for telecommunication wavelengths λ = 1.591 µm with refractivemore » indices 3.533. In the designed structure further analysis is also done by changing whole rods refractive index and it has been observed that this filter may be used for filtering several other channels also. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.« less

Rigidity of transmembrane proteins determines their cluster shape

NASA Astrophysics Data System (ADS)

Jafarinia, Hamidreza; Khoshnood, Atefeh; Jalali, Mir Abbas

2016-01-01

Protein aggregation in cell membrane is vital for the majority of biological functions. Recent experimental results suggest that transmembrane domains of proteins such as α -helices and β -sheets have different structural rigidities. We use molecular dynamics simulation of a coarse-grained model of protein-embedded lipid membranes to investigate the mechanisms of protein clustering. For a variety of protein concentrations, our simulations under thermal equilibrium conditions reveal that the structural rigidity of transmembrane domains dramatically affects interactions and changes the shape of the cluster. We have observed stable large aggregates even in the absence of hydrophobic mismatch, which has been previously proposed as the mechanism of protein aggregation. According to our results, semiflexible proteins aggregate to form two-dimensional clusters, while rigid proteins, by contrast, form one-dimensional string-like structures. By assuming two probable scenarios for the formation of a two-dimensional triangular structure, we calculate the lipid density around protein clusters and find that the difference in lipid distribution around rigid and semiflexible proteins determines the one- or two-dimensional nature of aggregates. It is found that lipids move faster around semiflexible proteins than rigid ones. The aggregation mechanism suggested in this paper can be tested by current state-of-the-art experimental facilities.

Application of two-dimensional NMR spectroscopy and molecular dynamics simulations to the conformational analysis of oligosaccharides corresponding to the cell-wall polysaccharide of Streptococcus group A.

PubMed

Kreis, U C; Varma, V; Pinto, B M

1995-06-01

This paper describes the use of a protocol for conformational analysis of oligosaccharide structures related to the cell-wall polysaccharide of Streptococcus group A. The polysaccharide features a branched structure with an L-rhamnopyranose (Rhap) backbone consisting of alternating alpha-(1-->2) and alpha-(1-->3) links and D-N-acetylglucosamine (GlcpNAc) residues beta-(1-->3)-connected to alternating rhamnose rings: [formula: see text] Oligomers consisting of three to six residues have been synthesized and nuclear magnetic resonance (NMR) assignments have been made. The protocol for conformational analysis of the solution structure of these oligosaccharides involves experimental and theoretical methods. Two-dimensional NMR spectroscopy methods (TOCSY, ROESY and NOESY) are utilized to obtain chemical shift data and proton-proton distances. These distances are used as constraints in 100 ps molecular dynamics simulations in water using QUANTA and CHARMm. In addition, the dynamics simulations are performed without constraints. ROE build-up curves are computed from the averaged structures of the molecular dynamics simulations using the CROSREL program and compared with the experimental curves. Thus, a refinement of the initial structure may be obtained. The alpha-(1-->2) and the beta-(1-->3) links are unambiguously defined by the observed ROE cross peaks between the A-B',A'-B and C-B,C'-B' residues, respectively. The branch-point of the trisaccharide CBA' is conformationally well-defined. Assignment of the conformation of the B-A linkage (alpha-(1-->3)) was problematic due to TOCSY relay, but could be solved by NOESY and T-ROESY techniques. A conformational model for the polysaccharide is proposed.

Three-dimensional Magnetotelluric Characterization of the Xinzhou Geothermal Field, Southeastern China

NASA Astrophysics Data System (ADS)

Han, Q.; Hu, X.; Cai, J.; Wei, W.

2016-12-01

Xinzhou geothermal field is located in the Guangdong province and adjacent to the China South Sea, and its hot springs can reach up to 92 degree Celsius. Yanshanian granite expose widely in the south of this geothermal field and four faults cut across each other over it. A dense grid of 176 magnetotelluric (MT) sites with broadband has been acquired over the Xinzhou geothermal field and its surrounding area. Due to the related electromagnetic (EM) noise one permanent observatory was placed as a remote reference to suppress this cultural EM noise interference. The datasets are processed using the mutual reference technique, static shift correction, and structural strike and dimensionality analysis based on tensor decomposition. Data analysis reveals that the underground conductivity structure has obvious three-dimensional characterization. For the high resolution result ,two and three dimensional inversion are both applied in this area employing the non-linear conjugate gradient method (NLCG).These MT data sets are supposed to detect the deep subsurface resistivity structure correlated to the distribution of geothermal reservoir (such as faults and fractured granite) and investigate the channel of the upwelling magma. The whole and cold granite usually present high resistivity but once it functions as reservoir the resistivity will decrease, sometimes it is hard to separate the reservoir from the cap layer. The 3D inversion results delineate three high resistivity anomalies distributed in different locations. At last we put forward that the large areas of granite form the major thermal source for the study area and discuss whether any melt under these magma intrusions exists.

Pyridylamination as a means of analyzing complex sugar chains

PubMed Central

Hase, Sumihiro

2010-01-01

Herein, I describe pyridylamination for versatile analysis of sugar chains. The reducing ends of the sugar chains are tagged with 2-aminopyridine and the resultant chemically stable fluorescent derivatives are used for structural/functional analysis. Pyridylamination is an effective “operating system” for increasing sensitivity and simplifying the analytical procedures including mass spectrometry and NMR. Excellent separation of isomers is achieved by reversed-phase HPLC. However, separation is further improved by two-dimensional HPLC, which involves a combination of reversed-phase HPLC and size-fractionation HPLC. Moreover, a two-dimensional HPLC map is also useful for structural analysis. I describe a simple procedure for preparing homogeneous pyridylamino sugar chains that is less laborious than existing techniques and can be used for functional analysis (e.g., sugar-protein interaction). This novel approach was applied and some of the results are described: i) a glucosyl-serine type sugar chain found in blood coagulation factors; ii) discovery of endo-β-mannosidase (EC 3.2.1.152) and a new type plant α1,2-l-fucosidase; and iii) novel substrate specificity of a cytosolic α-mannosidase. Moreover, using homogeneous sugar chains of a size similar to in vivo substrates we were able to analyze interactions between sugar chains and proteins such as enzymes and lectins in detail. Interestingly, our studies reveal that some enzymes recognize a wider region of the substrate than anticipated. PMID:20431262

Mining protein loops using a structural alphabet and statistical exceptionality

PubMed Central

2010-01-01

Background Protein loops encompass 50% of protein residues in available three-dimensional structures. These regions are often involved in protein functions, e.g. binding site, catalytic pocket... However, the description of protein loops with conventional tools is an uneasy task. Regular secondary structures, helices and strands, have been widely studied whereas loops, because they are highly variable in terms of sequence and structure, are difficult to analyze. Due to data sparsity, long loops have rarely been systematically studied. Results We developed a simple and accurate method that allows the description and analysis of the structures of short and long loops using structural motifs without restriction on loop length. This method is based on the structural alphabet HMM-SA. HMM-SA allows the simplification of a three-dimensional protein structure into a one-dimensional string of states, where each state is a four-residue prototype fragment, called structural letter. The difficult task of the structural grouping of huge data sets is thus easily accomplished by handling structural letter strings as in conventional protein sequence analysis. We systematically extracted all seven-residue fragments in a bank of 93000 protein loops and grouped them according to the structural-letter sequence, named structural word. This approach permits a systematic analysis of loops of all sizes since we consider the structural motifs of seven residues rather than complete loops. We focused the analysis on highly recurrent words of loops (observed more than 30 times). Our study reveals that 73% of loop-lengths are covered by only 3310 highly recurrent structural words out of 28274 observed words). These structural words have low structural variability (mean RMSd of 0.85 Å). As expected, half of these motifs display a flanking-region preference but interestingly, two thirds are shared by short (less than 12 residues) and long loops. Moreover, half of recurrent motifs exhibit a significant level of amino-acid conservation with at least four significant positions and 87% of long loops contain at least one such word. We complement our analysis with the detection of statistically over-represented patterns of structural letters as in conventional DNA sequence analysis. About 30% (930) of structural words are over-represented, and cover about 40% of loop lengths. Interestingly, these words exhibit lower structural variability and higher sequential specificity, suggesting structural or functional constraints. Conclusions We developed a method to systematically decompose and study protein loops using recurrent structural motifs. This method is based on the structural alphabet HMM-SA and not on structural alignment and geometrical parameters. We extracted meaningful structural motifs that are found in both short and long loops. To our knowledge, it is the first time that pattern mining helps to increase the signal-to-noise ratio in protein loops. This finding helps to better describe protein loops and might permit to decrease the complexity of long-loop analysis. Detailed results are available at http://www.mti.univ-paris-diderot.fr/publication/supplementary/2009/ACCLoop/. PMID:20132552

Mining protein loops using a structural alphabet and statistical exceptionality.

PubMed

Regad, Leslie; Martin, Juliette; Nuel, Gregory; Camproux, Anne-Claude

2010-02-04

Protein loops encompass 50% of protein residues in available three-dimensional structures. These regions are often involved in protein functions, e.g. binding site, catalytic pocket... However, the description of protein loops with conventional tools is an uneasy task. Regular secondary structures, helices and strands, have been widely studied whereas loops, because they are highly variable in terms of sequence and structure, are difficult to analyze. Due to data sparsity, long loops have rarely been systematically studied. We developed a simple and accurate method that allows the description and analysis of the structures of short and long loops using structural motifs without restriction on loop length. This method is based on the structural alphabet HMM-SA. HMM-SA allows the simplification of a three-dimensional protein structure into a one-dimensional string of states, where each state is a four-residue prototype fragment, called structural letter. The difficult task of the structural grouping of huge data sets is thus easily accomplished by handling structural letter strings as in conventional protein sequence analysis. We systematically extracted all seven-residue fragments in a bank of 93000 protein loops and grouped them according to the structural-letter sequence, named structural word. This approach permits a systematic analysis of loops of all sizes since we consider the structural motifs of seven residues rather than complete loops. We focused the analysis on highly recurrent words of loops (observed more than 30 times). Our study reveals that 73% of loop-lengths are covered by only 3310 highly recurrent structural words out of 28274 observed words). These structural words have low structural variability (mean RMSd of 0.85 A). As expected, half of these motifs display a flanking-region preference but interestingly, two thirds are shared by short (less than 12 residues) and long loops. Moreover, half of recurrent motifs exhibit a significant level of amino-acid conservation with at least four significant positions and 87% of long loops contain at least one such word. We complement our analysis with the detection of statistically over-represented patterns of structural letters as in conventional DNA sequence analysis. About 30% (930) of structural words are over-represented, and cover about 40% of loop lengths. Interestingly, these words exhibit lower structural variability and higher sequential specificity, suggesting structural or functional constraints. We developed a method to systematically decompose and study protein loops using recurrent structural motifs. This method is based on the structural alphabet HMM-SA and not on structural alignment and geometrical parameters. We extracted meaningful structural motifs that are found in both short and long loops. To our knowledge, it is the first time that pattern mining helps to increase the signal-to-noise ratio in protein loops. This finding helps to better describe protein loops and might permit to decrease the complexity of long-loop analysis. Detailed results are available at http://www.mti.univ-paris-diderot.fr/publication/supplementary/2009/ACCLoop/.

Two-dimensional Zn(II) and one-dimensional Co(II) coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands.

PubMed

Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling

2016-02-01

Coordination polymers constructed from metal ions and organic ligands have attracted considerable attention owing to their diverse structural topologies and potential applications. Ligands containing carboxylate groups are among the most extensively studied because of their versatile coordination modes. Reactions of benzene-1,4-dicarboxylic acid (H2BDC) and pyridine (py) with Zn(II) or Co(II) yielded two new coordination polymers, namely, poly[(μ4-benzene-1,4-dicarboxylato-κ(4)O:O':O'':O''')(pyridine-κN)zinc(II)], [Zn(C8H4O2)(C5H5N)]n, (I), and catena-poly[aqua(μ3-benzene-1,4-dicarboxylato-κ(3)O:O':O'')bis(pyridine-κN)cobalt(II)], [Co(C8H4O2)(C5H5N)2(H2O)]n, (II). In compound (I), the Zn(II) cation is five-coordinated by four carboxylate O atoms from four BDC(2-) ligands and one pyridine N atom in a distorted square-pyramidal coordination geometry. Four carboxylate groups bridge two Zn(II) ions to form centrosymmetric paddle-wheel-like Zn2(μ2-COO)4 units, which are linked by the benzene rings of the BDC(2-) ligands to generate a two-dimensional layered structure. The two-dimensional layer is extended into a three-dimensional supramolecular structure with the help of π-π stacking interactions between the aromatic rings. Compound (II) has a one-dimensional double-chain structure based on Co2(μ2-COO)2 units. The Co(II) cations are bridged by BDC(2-) ligands and are octahedrally coordinated by three carboxylate O atoms from three BDC(2-) ligands, one water O atom and two pyridine N atoms. Interchain O-H...O hydrogen-bonding interactions link these chains to form a three-dimensional supramolecular architecture.

Two-dimensional wind tunnel

NASA Technical Reports Server (NTRS)

1982-01-01

Information on the Japanese National Aerospace Laboratory two dimensional transonic wind tunnel, completed at the end of 1979 is presented. Its construction is discussed in detail, and the wind tunnel structure, operation, test results, and future plans are presented.

Full equations utilities (FEQUTL) model for the approximation of hydraulic characteristics of open channels and control structures during unsteady flow

USGS Publications Warehouse

Franz, Delbert D.; Melching, Charles S.

1997-01-01

The Full EQuations UTiLities (FEQUTL) model is a computer program for computation of tables that list the hydraulic characteristics of open channels and control structures as a function of upstream and downstream depths; these tables facilitate the simulation of unsteady flow in a stream system with the Full Equations (FEQ) model. Simulation of unsteady flow requires many iterations for each time period computed. Thus, computation of hydraulic characteristics during the simulations is impractical, and preparation of function tables and application of table look-up procedures facilitates simulation of unsteady flow. Three general types of function tables are computed: one-dimensional tables that relate hydraulic characteristics to upstream flow depth, two-dimensional tables that relate flow through control structures to upstream and downstream flow depth, and three-dimensional tables that relate flow through gated structures to upstream and downstream flow depth and gate setting. For open-channel reaches, six types of one-dimensional function tables contain different combinations of the top width of flow, area, first moment of area with respect to the water surface, conveyance, flux coefficients, and correction coefficients for channel curvilinearity. For hydraulic control structures, one type of one-dimensional function table contains relations between flow and upstream depth, and two types of two-dimensional function tables contain relations among flow and upstream and downstream flow depths. For hydraulic control structures with gates, a three-dimensional function table lists the system of two-dimensional tables that contain the relations among flow and upstream and downstream flow depths that correspond to different gate openings. Hydraulic control structures for which function tables containing flow relations are prepared in FEQUTL include expansions, contractions, bridges, culverts, embankments, weirs, closed conduits (circular, rectangular, and pipe-arch shapes), dam failures, floodways, and underflow gates (sluice and tainter gates). The theory for computation of the hydraulic characteristics is presented for open channels and for each hydraulic control structure. For the hydraulic control structures, the theory is developed from the results of experimental tests of flow through the structure for different upstream and downstream flow depths. These tests were done to describe flow hydraulics for a single, steady-flow design condition and, thus, do not provide complete information on flow transitions (for example, between free- and submerged-weir flow) that may result in simulation of unsteady flow. Therefore, new procedures are developed to approximate the hydraulics of flow transitions for culverts, embankments, weirs, and underflow gates.

Depth-enhanced three-dimensional-two-dimensional convertible display based on modified integral imaging.

PubMed

Park, Jae-Hyeung; Kim, Hak-Rin; Kim, Yunhee; Kim, Joohwan; Hong, Jisoo; Lee, Sin-Doo; Lee, Byoungho

2004-12-01

A depth-enhanced three-dimensional-two-dimensional convertible display that uses a polymer-dispersed liquid crystal based on the principle of integral imaging is proposed. In the proposed method, a lens array is located behind a transmission-type display panel to form an array of point-light sources, and a polymer-dispersed liquid crystal is electrically controlled to pass or to scatter light coming from these point-light sources. Therefore, three-dimensional-two-dimensional conversion is accomplished electrically without any mechanical movement. Moreover, the nonimaging structure of the proposed method increases the expressible depth range considerably. We explain the method of operation and present experimental results.

Computer-assisted techniques to evaluate fringe patterns

NASA Astrophysics Data System (ADS)

Sciammarella, Cesar A.; Bhat, Gopalakrishna K.

1992-01-01

Strain measurement using interferometry requires an efficient way to extract the desired information from interferometric fringes. Availability of digital image processing systems makes it possible to use digital techniques for the analysis of fringes. In the past, there have been several developments in the area of one dimensional and two dimensional fringe analysis techniques, including the carrier fringe method (spatial heterodyning) and the phase stepping (quasi-heterodyning) technique. This paper presents some new developments in the area of two dimensional fringe analysis, including a phase stepping technique supplemented by the carrier fringe method and a two dimensional Fourier transform method to obtain the strain directly from the discontinuous phase contour map.

Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS2 structure

NASA Astrophysics Data System (ADS)

Gimbert, Florian; Lee, Chi-Cheng; Friedlein, Rainer; Fleurence, Antoine; Yamada-Takamura, Yukiko; Ozaki, Taisuke

2014-10-01

The interplay of sp2- and sp3-type bonding defines silicon allotropes in two- and three-dimensional forms. A two-dimensional phase bearing structural resemblance to a single MoS2 layer is found to possess a lower total energy than low-buckled silicene and to be stable in terms of its phonon dispersion relations. A set of cigar-shaped nematic orbitals originating from the Si sp2 orbitals realizes bonding with a sixfold coordination of the inner Si atoms of the layer. The identification of these nematic orbitals advocates diverse Si bonding configurations different from those of C atoms.

Experiments on an unsteady, three-dimensional separation

NASA Technical Reports Server (NTRS)

Henk, R. W.; Reynolds, W. C.; Reed, H. L.

1992-01-01

Unsteady, three-dimensional flow separation occurs in a variety of technical situations including turbomachinery and low-speed aircraft. An experimental program at Stanford in unsteady, three-dimensional, pressure-driven laminar separation has investigated the structure and time-scaling of these flows; of particular interest is the development, washout, and control of flow separation. Results reveal that a two-dimensional, laminar boundary layer passes through several stages on its way to a quasi-steady three-dimensional separation. The quasi-steady state of the separation embodies a complex, unsteady, vortical structure.

Synthesis of two-dimensional TlxBi1−x compounds and Archimedean encoding of their atomic structure

PubMed Central

Gruznev, Dimitry V.; Bondarenko, Leonid V.; Matetskiy, Andrey V.; Mihalyuk, Alexey N.; Tupchaya, Alexandra Y.; Utas, Oleg A.; Eremeev, Sergey V.; Hsing, Cheng-Rong; Chou, Jyh-Pin; Wei, Ching-Ming; Zotov, Andrey V.; Saranin, Alexander A.

2016-01-01

Crystalline atomic layers on solid surfaces are composed of a single building block, unit cell, that is copied and stacked together to form the entire two-dimensional crystal structure. However, it appears that this is not an unique possibility. We report here on synthesis and characterization of the one-atomic-layer-thick TlxBi1−x compounds which display quite a different arrangement. It represents a quasi-periodic tiling structures that are built by a set of tiling elements as building blocks. Though the layer is lacking strict periodicity, it shows up as an ideally-packed tiling of basic elements without any skips or halting. The two-dimensional TlxBi1−x compounds were formed by depositing Bi onto the Tl-covered Si(111) surface where Bi atoms substitute appropriate amount of Tl atoms. Atomic structure of each tiling element as well as arrangement of TlxBi1−x compounds were established in a detail. Electronic properties and spin texture of the selected compounds having periodic structures were characterized. The shown example demonstrates possibility for the formation of the exotic low-dimensional materials via unusual growth mechanisms. PMID:26781340

A comparison of etched-geometry and overgrown silicon permeable base transistors by two-dimensional numerical simulations

NASA Astrophysics Data System (ADS)

Vojak, B. A.; Alley, G. D.

1983-08-01

Two-dimensional numerical simulations are used to compare etched geometry and overgrown Si permeable base transistors (PTBs), considering both the etched collector and etched emitter biasing conditions made possible by the asymmetry of the etched structure. In PTB devices, the two-dimensional nature of the depletion region near the Schottky contact base grating results in a smaller electron barrier and, therefore, a larger collector current in the etched than in the overgrown structure. The parasitic feedback effects which result at high base-to-emitter bias levels lead to a deviation from the square-law behavior found in the collector characteristics of the overgrown PBT. These structures also have lower device capacitances and smaller transconductances at high base-to-emitter voltages. As a result, overgrown and etched structures have comparable predicted maximum values of the small signal unity short-circuit current gain frequency and maximum oscillation frequency.

Observation of van Hove Singularities in Twisted Silicene Multilayers.

PubMed

Li, Zhi; Zhuang, Jincheng; Chen, Lan; Ni, Zhenyi; Liu, Chen; Wang, Li; Xu, Xun; Wang, Jiaou; Pi, Xiaodong; Wang, Xiaolin; Du, Yi; Wu, Kehui; Dou, Shi Xue

2016-08-24

Interlayer interactions perturb the electronic structure of two-dimensional materials and lead to new physical phenomena, such as van Hove singularities and Hofstadter's butterfly pattern. Silicene, the recently discovered two-dimensional form of silicon, is quite unique, in that silicon atoms adopt competing sp(2) and sp(3) hybridization states leading to a low-buckled structure promising relatively strong interlayer interaction. In multilayer silicene, the stacking order provides an important yet rarely explored degree of freedom for tuning its electronic structures through manipulating interlayer coupling. Here, we report the emergence of van Hove singularities in the multilayer silicene created by an interlayer rotation. We demonstrate that even a large-angle rotation (>20°) between stacked silicene layers can generate a Moiré pattern and van Hove singularities due to the strong interlayer coupling in multilayer silicene. Our study suggests an intriguing method for expanding the tunability of the electronic structure for electronic applications in this two-dimensional material.

Assembly of the most topologically regular two-dimensional micro and nanocrystals with spherical, conical, and tubular shapes

NASA Astrophysics Data System (ADS)

Roshal, D. S.; Konevtsova, O. V.; Myasnikova, A. E.; Rochal, S. B.

2016-11-01

We consider how to control the extension of curvature-induced defects in the hexagonal order covering different curved surfaces. In these frames we propose a physical mechanism for improving structures of two-dimensional spherical colloidal crystals (SCCs). For any SCC comprising of about 300 or less particles the mechanism transforms all extended topological defects (ETDs) in the hexagonal order into the point disclinations. Perfecting the structure is carried out by successive cycles of the particle implantation and subsequent relaxation of the crystal. The mechanism is potentially suitable for obtaining colloidosomes with better selective permeability. Our approach enables modeling the most topologically regular tubular and conical two-dimensional nanocrystals including various possible polymorphic forms of the HIV viral capsid. Different HIV-like shells with an arbitrary number of structural units (SUs) and desired geometrical parameters are easily formed. Faceting of the obtained structures is performed by minimizing the suggested elastic energy.

Factor structure and dimensionality of the two depression scales in STAR*D using level 1 datasets.

PubMed

Bech, P; Fava, M; Trivedi, M H; Wisniewski, S R; Rush, A J

2011-08-01

The factor structure and dimensionality of the HAM-D(17) and the IDS-C(30) are as yet uncertain, because psychometric analyses of these scales have been performed without a clear separation between factor structure profile and dimensionality (total scores being a sufficient statistic). The first treatment step (Level 1) in the STAR*D study provided a dataset of 4041 outpatients with DSM-IV nonpsychotic major depression. The HAM-D(17) and IDS-C(30) were evaluated by principal component analysis (PCA) without rotation. Mokken analysis tested the unidimensionality of the IDS-C(6), which corresponds to the unidimensional HAM-D(6.) For both the HAM-D(17) and IDS-C(30), PCA identified a bi-directional factor contrasting the depressive symptoms versus the neurovegetative symptoms. The HAM-D(6) and the corresponding IDS-C(6) symptoms all emerged in the depression factor. Both the HAM-D(6) and IDS-C(6) were found to be unidimensional scales, i.e., their total scores are each a sufficient statistic for the measurement of depressive states. STAR*D used only one medication in Level 1. The unidimensional HAM-D(6) and IDS-C(6) should be used when evaluating the pure clinical effect of antidepressive treatment, whereas the multidimensional HAM-D(17) and IDS-C(30) should be considered when selecting antidepressant treatment. Copyright © 2011 Elsevier B.V. All rights reserved.

Three-dimensional Architecture Enabled by Strained Two-dimensional Material Heterojunction.

PubMed

Lou, Shuai; Liu, Yin; Yang, Fuyi; Lin, Shuren; Zhang, Ruopeng; Deng, Yang; Wang, Michael; Tom, Kyle B; Zhou, Fei; Ding, Hong; Bustillo, Karen C; Wang, Xi; Yan, Shancheng; Scott, Mary; Minor, Andrew; Yao, Jie

2018-03-14

Engineering the structure of materials endows them with novel physical properties across a wide range of length scales. With high in-plane stiffness and strength, but low flexural rigidity, two-dimensional (2D) materials are excellent building blocks for nanostructure engineering. They can be easily bent and folded to build three-dimensional (3D) architectures. Taking advantage of the large lattice mismatch between the constituents, we demonstrate a 3D heterogeneous architecture combining a basal Bi 2 Se 3 nanoplate and wavelike Bi 2 Te 3 edges buckling up and down forming periodic ripples. Unlike 2D heterostructures directly grown on substrates, the solution-based synthesis allows the heterostructures to be free from substrate influence during the formation process. The balance between bending and in-plane strain energies gives rise to controllable rippling of the material. Our experimental results show clear evidence that the wavelengths and amplitudes of the ripples are dependent on both the widths and thicknesses of the rippled material, matching well with continuum mechanics analysis. The rippled Bi 2 Se 3 /Bi 2 Te 3 heterojunction broadens the horizon for the application of 2D materials heterojunction and the design and fabrication of 3D architectures based on them, which could provide a platform to enable nanoscale structure generation and associated photonic/electronic properties manipulation for optoelectronic and electromechanic applications.

The modified semi-discrete two-dimensional Toda lattice with self-consistent sources

NASA Astrophysics Data System (ADS)

Gegenhasi

2017-07-01

In this paper, we derive the Grammian determinant solutions to the modified semi-discrete two-dimensional Toda lattice equation, and then construct the semi-discrete two-dimensional Toda lattice equation with self-consistent sources via source generation procedure. The algebraic structure of the resulting coupled modified differential-difference equation is clarified by presenting its Grammian determinant solutions and Casorati determinant solutions. As an application of the Grammian determinant and Casorati determinant solution, the explicit one-soliton and two-soliton solution of the modified semi-discrete two-dimensional Toda lattice equation with self-consistent sources are given. We also construct another form of the modified semi-discrete two-dimensional Toda lattice equation with self-consistent sources which is the Bäcklund transformation for the semi-discrete two-dimensional Toda lattice equation with self-consistent sources.

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

PubMed

Sekine, Ryojun; Aoki, Hiroyuki; Ito, Shinzaburo

2009-10-01

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

On the generation of cnoidal waves in ion beam-dusty plasma containing superthermal electrons and ions

NASA Astrophysics Data System (ADS)

El-Bedwehy, N. A.

2016-07-01

The reductive perturbation technique is used for investigating an ion beam-dusty plasma system consisting of two opposite polarity dusty grains, and superthermal electrons and ions in addition to ion beam. A two-dimensional Kadomtsev-Petviashvili equation is derived. The solution of this equation, employing Painlevé analysis, leads to cnoidal waves. The dependence of the structural features of these waves on the physical plasma parameters is investigated.

On the generation of cnoidal waves in ion beam-dusty plasma containing superthermal electrons and ions

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

El-Bedwehy, N. A., E-mail: nab-elbedwehy@yahoo.com

2016-07-15

The reductive perturbation technique is used for investigating an ion beam-dusty plasma system consisting of two opposite polarity dusty grains, and superthermal electrons and ions in addition to ion beam. A two-dimensional Kadomtsev–Petviashvili equation is derived. The solution of this equation, employing Painlevé analysis, leads to cnoidal waves. The dependence of the structural features of these waves on the physical plasma parameters is investigated.

New sesquiterpenes from Euonymus europaeus (Celastraceae).

PubMed

Descoins, Charles; Bazzocchi, Isabel López; Ravelo, Angel Gutiérrez

2002-02-01

A new sesquiterpene evoninate alkaloid (1), and two sesquiterpenes (2, 3) with a dihydro-beta-agarofuran skeleton, along with three known sesquiterpenes (4-6), were isolated from the seeds of Euonymus europaeus. Their structures were elucidated by high resolution mass analysis, and one- and two-dimensional (1D and 2D) NMR spectroscopy, including homonuclear and heteronuclear correlation [correlation spectroscopy (COSY), rotating frame Overhauser enhancement spectroscopy (ROESY), heteronuclear single quantum coherence (HSQC), and heteronuclear multiple bond correlation (HMBC)] experiments.

Efficient Computation Of Behavior Of Aircraft Tires

NASA Technical Reports Server (NTRS)

Tanner, John A.; Noor, Ahmed K.; Andersen, Carl M.

1989-01-01

NASA technical paper discusses challenging application of computational structural mechanics to numerical simulation of responses of aircraft tires during taxing, takeoff, and landing. Presents details of three main elements of computational strategy: use of special three-field, mixed-finite-element models; use of operator splitting; and application of technique reducing substantially number of degrees of freedom. Proposed computational strategy applied to two quasi-symmetric problems: linear analysis of anisotropic tires through use of two-dimensional-shell finite elements and nonlinear analysis of orthotropic tires subjected to unsymmetric loading. Three basic types of symmetry and combinations exhibited by response of tire identified.

Plastic and Large-Deflection Analysis of Nonlinear Structures

NASA Technical Reports Server (NTRS)

Thomson, R. G.; Hayduk, R. J.; Robinson, M. P.; Durling, B. J.; Pifko, A.; Levine, H. S.; Armen, H. J.; Levy, A.; Ogilvie, P.

1982-01-01

Plastic and Large Deflection Analysis of Nonlinear Structures (PLANS) system is collection of five computer programs for finite-element static-plastic and large deflection analysis of variety of nonlinear structures. System considers bending and membrane stresses, general three-dimensional bodies, and laminated composites.

Negative Stress Margins - Are They Real?

NASA Technical Reports Server (NTRS)

Raju, Ivatury S.; Lee, Darlene S.; Mohaghegh, Michael

2011-01-01

Advances in modeling and simulation, new finite element software, modeling engines and powerful computers are providing opportunities to interrogate designs in a very different manner and in a more detailed approach than ever before. Margins of safety are also often evaluated using local stresses for various design concepts and design parameters quickly once analysis models are defined and developed. This paper suggests that not all the negative margins of safety evaluated are real. The structural areas where negative margins are frequently encountered are often near stress concentrations, point loads and load discontinuities, near locations of stress singularities, in areas having large gradients but with insufficient mesh density, in areas with modeling issues and modeling errors, and in areas with connections and interfaces, in two-dimensional (2D) and three-dimensional (3D) transitions, bolts and bolt modeling, and boundary conditions. Now, more than ever, structural analysts need to examine and interrogate their analysis results and perform basic sanity checks to determine if these negative margins are real.

Diarylheptanoids from Rhizomes of Alpinia officinarum Inhibit Aggregation of α-Synuclein.

PubMed

Fu, Guangmiao; Zhang, Wei; Du, Dongsheng; Ng, Yu Pong; Ip, Fanny C F; Tong, Rongbiao; Ip, Nancy Y

2017-08-09

Two new diarylheptanoids, alpinin A (1) and alpinin B (2), together with 18 known diarylheptanoids (3-20), were isolated from the rhizomes of Alpinia officinarum. Their structures were elucidated by comprehensive spectroscopic analysis, including high-resolution mass spectrometry, infrared spectroscopy, and one- and two-dimensional nuclear magnetic resonance spectroscopy. Structurally, alpinin A is a new member of the small family of oxa-bridged diarylheptanoids and contains the characteristic 2,6-cis-configured tetrahydropyran motif (C 1 -C 5 oxa bridge). The absolute configuration of alpinin A was confirmed by asymmetric total synthesis of the enantiomer (ent-1), corroborating the assignment of the molecular structure. The absolute configuration of alpinin B was determined on the basis of the analysis of the circular dichroism exciton chirality spectrum. We evaluated the inhibitory activity of all isolated diarylheptanoids against α-synuclein aggregation at 10 μM. Alpinins A and B significantly inhibited α-synuclein aggregation by 66 and 67%, respectively.

Cascade Analysis of a Floating Wind Turbine Rotor

NASA Astrophysics Data System (ADS)

Eliassen, Lene; Jakobsen, Jasna B.; Knauer, Andreas; Nielsen, Finn Gunnar

2014-12-01

Mounting a wind turbine on a floating foundation introduces more complexity to the aerodynamic loading. The floater motion contains a wide range of frequencies. To study some of the basic dynamic load effect on the blades due to these motions, a two-dimensional cascade approach, combined with a potential vortex method, is used. This is an alternative method to study the aeroelastic behavior of wind turbines that is different from the traditional blade element momentum method. The analysis tool demands little computational power relative to a full three dimensional vortex method, and can handle unsteady flows. When using the cascade plane, a "cut" is made at a section of the wind turbine blade. The flow is viewed parallel to the blade axis at this cut. The cascade model is commonly used for analysis of turbo machineries. Due to the simplicity of the code it requires little computational resources, however it has limitations in its validity. It can only handle two-dimensional potential flow, i.e. including neither three-dimensional effects, such as the tip loss effect, nor boundary layers and stall effects are modeled. The computational tool can however be valuable in the overall analysis of floating wind turbines, and evaluation of the rotor control system. A check of the validity of the vortex panel code using an airfoil profile is performed, comparing the variation of the lift force, to the theoretically derived Wagner function. To analyse the floating wind turbine, a floating structure with hub height 90 m is chosen. An axial motion of the rotor is considered.

A coupled sharp-interface immersed boundary-finite-element method for flow-structure interaction with application to human phonation.

PubMed

Zheng, X; Xue, Q; Mittal, R; Beilamowicz, S

2010-11-01

A new flow-structure interaction method is presented, which couples a sharp-interface immersed boundary method flow solver with a finite-element method based solid dynamics solver. The coupled method provides robust and high-fidelity solution for complex flow-structure interaction (FSI) problems such as those involving three-dimensional flow and viscoelastic solids. The FSI solver is used to simulate flow-induced vibrations of the vocal folds during phonation. Both two- and three-dimensional models have been examined and qualitative, as well as quantitative comparisons, have been made with established results in order to validate the solver. The solver is used to study the onset of phonation in a two-dimensional laryngeal model and the dynamics of the glottal jet in a three-dimensional model and results from these studies are also presented.

Forming three-dimensional closed shapes from two-dimensional soft ribbons by controlled buckling

PubMed Central

Aoki, Michio

2018-01-01

Conventional manufacturing techniques—moulding, machining and casting—exist to produce three-dimensional (3D) shapes. However, these industrial processes are typically geared for mass production and are not directly applicable to residential settings, where inexpensive and versatile tools are desirable. Moreover, those techniques are, in general, not adequate to process soft elastic materials. Here, we introduce a new concept of forming 3D closed hollow shapes from two-dimensional (2D) elastic ribbons by controlled buckling. We numerically and experimentally characterize how the profile and thickness of the ribbon determine its buckled shape. We find a 2D master profile with which various elliptical 3D shapes can be formed. More complex natural and artificial hollow shapes, such as strawberry, hourglass and wheel, can also be achieved via strategic design and pattern engraving on the ribbons. The nonlinear response of the post-buckling regime is rationalized through finite-element analysis, which shows good quantitative agreement with experiments. This robust fabrication should complement conventional techniques and provide a rich arena for future studies on the mechanics and new applications of elastic hollow structures. PMID:29515894

Forming three-dimensional closed shapes from two-dimensional soft ribbons by controlled buckling

NASA Astrophysics Data System (ADS)

Aoki, Michio; Juang, Jia-Yang

2018-02-01

Conventional manufacturing techniques-moulding, machining and casting-exist to produce three-dimensional (3D) shapes. However, these industrial processes are typically geared for mass production and are not directly applicable to residential settings, where inexpensive and versatile tools are desirable. Moreover, those techniques are, in general, not adequate to process soft elastic materials. Here, we introduce a new concept of forming 3D closed hollow shapes from two-dimensional (2D) elastic ribbons by controlled buckling. We numerically and experimentally characterize how the profile and thickness of the ribbon determine its buckled shape. We find a 2D master profile with which various elliptical 3D shapes can be formed. More complex natural and artificial hollow shapes, such as strawberry, hourglass and wheel, can also be achieved via strategic design and pattern engraving on the ribbons. The nonlinear response of the post-buckling regime is rationalized through finite-element analysis, which shows good quantitative agreement with experiments. This robust fabrication should complement conventional techniques and provide a rich arena for future studies on the mechanics and new applications of elastic hollow structures.

Mathematical analysis of a sharp-diffuse interfaces model for seawater intrusion

NASA Astrophysics Data System (ADS)

Choquet, C.; Diédhiou, M. M.; Rosier, C.

2015-10-01

We consider a new model mixing sharp and diffuse interface approaches for seawater intrusion phenomena in free aquifers. More precisely, a phase field model is introduced in the boundary conditions on the virtual sharp interfaces. We thus include in the model the existence of diffuse transition zones but we preserve the simplified structure allowing front tracking. The three-dimensional problem then reduces to a two-dimensional model involving a strongly coupled system of partial differential equations of parabolic type describing the evolution of the depths of the two free surfaces, that is the interface between salt- and freshwater and the water table. We prove the existence of a weak solution for the model completed with initial and boundary conditions. We also prove that the depths of the two interfaces satisfy a coupled maximum principle.

Comparative analysis of three-dimensional structures of homodimers of uridine phosphorylase from Salmonella typhimurium in the unligated state and in a complex with potassium ion

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

Lashkov, A. A.; Zhukhlistova, N. E.; Gabdulkhakov, A. G.

2009-03-15

The spatial organization of the homodimer of unligated uridine phosphorylase from Salmonella typhimurium (St UPh) was determined with high accuracy. The structure was refined at 1.80 A resolution to R{sub work} = 16.1% and R{sub free} = 20.0%. The rms deviations for the bond lengths, bond angles, and chiral angles are 0.006 A, 1.042{sup o}, and 0.071{sup o}, respectively. The coordinate error estimated by the Luzzati plot is 0.166 A. The coordinate error based on the maximum likelihood is 0.199 A. A comparative analysis of the spatial organization of the homodimer in two independently refined structures and the structure ofmore » the homodimer St UPh in the complex with a K{sup +} ion was performed. The substrate-binding sites in the homodimers StUPhs in the unligated state were found to act asynchronously. In the presence of a potassium ion, the three-dimensional structures of the subunits in the homodimer are virtually identical, which is apparently of importance for the synchronous action of both substrate-binding sites. The atomic coordinates of the refined structure of the homodimer and structure factors have been deposited in the Protein Data Bank (PDB ID code 3DPS).« less

Changes in muscle protein composition induced by disuse atrophy - Analysis by two-dimensional electrophoresis

NASA Technical Reports Server (NTRS)

Ellis, S.; Giometti, C. S.; Riley, D. A.

1985-01-01

Using 320 g rats, a two-dimensional electrophoretic analysis of muscle proteins in the soleus and EDL muscles from hindlimbs maintained load-free for 10 days is performed. Statistical analysis of the two-dimensional patterns of control and suspended groups reveals more protein alteration in the soleus muscle, with 25 protein differences, than the EDL muscle, with 9 protein differences, as a result of atrophy. Most of the soleus differences reside in minor components. It is suggested that the EDL may also show alteration in its two-dimensional protein map, even though no significant atrophy occurred in muscle wet weight. It is cautioned that strict interpretation of data must take into account possible endocrine perturbations.

Nonequilibrium fluctuations during diffusion in liquid layers

NASA Astrophysics Data System (ADS)

Brogioli, Doriano; Vailati, Alberto

2017-07-01

Theoretical analysis and experiments have provided compelling evidence of the presence of long-range nonequilibrium concentration fluctuations during diffusion processes in fluids. In this paper, we investigate the dependence of the features of the fluctuations from the dimensionality of the system. In three-dimensional fluids the amplitude of nonequilibrium fluctuations can become several orders of magnitude larger than that of equilibrium fluctuations. Notwithstanding that, the amplitude of nonequilibrium fluctuations remains small with respect to the concentration difference driving the diffusion process. By extending the theory to two-dimensional systems, such as liquid monolayers and bilayers, we show that the amplitude of the fluctuations becomes much stronger than in three-dimensional systems. We investigate the properties of the fronts of diffusion and show that they have a self-affine structure characterized by a Hurst exponent H =1 . We discuss the implications of these results for diffusion in liquid crystals and in cellular membranes of living organisms.

Nonequilibrium fluctuations during diffusion in liquid layers.

PubMed

Brogioli, Doriano; Vailati, Alberto

2017-07-01

Theoretical analysis and experiments have provided compelling evidence of the presence of long-range nonequilibrium concentration fluctuations during diffusion processes in fluids. In this paper, we investigate the dependence of the features of the fluctuations from the dimensionality of the system. In three-dimensional fluids the amplitude of nonequilibrium fluctuations can become several orders of magnitude larger than that of equilibrium fluctuations. Notwithstanding that, the amplitude of nonequilibrium fluctuations remains small with respect to the concentration difference driving the diffusion process. By extending the theory to two-dimensional systems, such as liquid monolayers and bilayers, we show that the amplitude of the fluctuations becomes much stronger than in three-dimensional systems. We investigate the properties of the fronts of diffusion and show that they have a self-affine structure characterized by a Hurst exponent H=1. We discuss the implications of these results for diffusion in liquid crystals and in cellular membranes of living organisms.

[Apply fourier transform infrared spectra coupled with two-dimensional correlation analysis to study the evolution of humic acids during composting].

PubMed

Bu, Gui-jun; Yu, Jing; Di, Hui-hui; Luo, Shi-jia; Zhou, Da-zhai; Xiao, Qiang

2015-02-01

The composition and structure of humic acids formed during composting play an important influence on the quality and mature of compost. In order to explore the composition and evolution mechanism, municipal solid wastes were collected to compost and humic and fulvic acids were obtained from these composted municipal solid wastes. Furthermore, fourier transform infrared spectra and two-dimensional correlation analysis were applied to study the composition and transformation of humic and fulvic acids during composting. The results from fourier transform infrared spectra showed that, the composition of humic acids was complex, and several absorbance peaks were observed at 2917-2924, 2844-2852, 2549, 1662, 1622, 1566, 1454, 1398, 1351, 990-1063, 839 and 711 cm(-1). Compared to humic acids, the composition of fulvci acids was simple, and only three peaks were detected at 1725, 1637 and 990 cm(-1). The appearance of these peaks showed that both humic and fulvic acids comprised the benzene originated from lignin and the polysaccharide. In addition, humic acids comprised a large number of aliphatic and protein which were hardly detected in fulvic acids. Aliphatic, polysaccharide, protein and lignin all were degraded during composting, however, the order of degradation was different between humic and fulvci acids. The result from two-dimensional correlation analysis showed that, organic compounds in humic acids were degraded in the following sequence: aliphatic> protein> polysaccharide and lignin, while that in fulvic acids was as following: protein> polysaccharide and aliphatic. A large number of carboxyl, alcohols and ethers were formed during the degradation process, and the carboxyl was transformed into carbonates. It can be concluded that, fourier transform infrared spectra coupled with two-dimensional correlation analysis not only can analyze the function group composition of humic substances, but also can characterize effectively the degradation sequence of these groups and identified the formation mechanism and dynamics of humic substances during composting.

Mimicking the Humidity Response of the Plant Cell Wall by Using Two-Dimensional Systems: The Critical Role of Amorphous and Crystalline Polysaccharides.

PubMed

Niinivaara, Elina; Faustini, Marco; Tammelin, Tekla; Kontturi, Eero

2016-03-01

Of the composite materials occurring in nature, the plant cell wall is among the most intricate, consisting of a complex arrangement of semicrystalline cellulose microfibrils in a dissipative matrix of lignin and hemicelluloses. Here, a biomimetic, two-dimensional cellulose system of the cell wall structure is introduced where cellulose nanocrystals compose the crystalline portion and regenerated amorphous cellulose composes the dissipative matrix. Spectroscopic ellipsometry and QCM-D are used to study the water vapor uptake of several two-layer systems. Quantitative analysis shows that the vapor-induced swelling of these ultrathin films can be controlled by varying ratios of the chemically identical ordered and unordered cellulose components. Intriguingly, increasing the share of crystalline cellulose appeared to increase the vapor uptake but only in cases for which the interfacial area between the crystalline and amorphous area was relatively large and the thickness of an amorphous overlayer was relatively small. The results show that a biomimetic approach may occasionally provide answers as to why certain native structures exist.

Electron Tomography: A Three-Dimensional Analytic Tool for Hard and Soft Materials Research

DOE PAGES

Ercius, Peter; Alaidi, Osama; Rames, Matthew J.; ...

2015-06-18

Three-dimensional (3D) structural analysis is essential to understand the relationship between the structure and function of an object. Many analytical techniques, such as X-ray diffraction, neutron spectroscopy, and electron microscopy imaging, are used to provide structural information. Transmission electron microscopy (TEM), one of the most popular analytic tools, has been widely used for structural analysis in both physical and biological sciences for many decades, in which 3D objects are projected into two-dimensional (2D) images. In many cases, 2D-projection images are insufficient to understand the relationship between the 3D structure and the function of nanoscale objects. Electron tomography (ET) is amore » technique that retrieves 3D structural information from a tilt series of 2D projections, and is gradually becoming a mature technology with sub-nanometer resolution. Distinct methods to overcome sample-based limitations have been separately developed in both physical and biological science, although they share some basic concepts of ET. Here, this review discusses the common basis for 3D characterization, and specifies difficulties and solutions regarding both hard and soft materials research. It is hoped that novel solutions based on current state-of-the-art techniques for advanced applications in hybrid matter systems can be motivated. Electron tomography produces quantitative 3D reconstructions for biological and physical sciences from sets of 2D projections acquired at different tilting angles in a transmission electron microscope. Finally, state-of-the-art techniques capable of producing 3D representations such as Pt-Pd core-shell nanoparticles and IgG1 antibody molecules are reviewed.« less

Analysis of random structure-acoustic interaction problems using coupled boundary element and finite element methods

NASA Technical Reports Server (NTRS)

Mei, Chuh; Pates, Carl S., III

1994-01-01

A coupled boundary element (BEM)-finite element (FEM) approach is presented to accurately model structure-acoustic interaction systems. The boundary element method is first applied to interior, two and three-dimensional acoustic domains with complex geometry configurations. Boundary element results are very accurate when compared with limited exact solutions. Structure-interaction problems are then analyzed with the coupled FEM-BEM method, where the finite element method models the structure and the boundary element method models the interior acoustic domain. The coupled analysis is compared with exact and experimental results for a simplistic model. Composite panels are analyzed and compared with isotropic results. The coupled method is then extended for random excitation. Random excitation results are compared with uncoupled results for isotropic and composite panels.

Apparatus for electrohydrodynamically assembling patterned colloidal structures

NASA Technical Reports Server (NTRS)

Trau, Mathias (Inventor); Aksay, Ilhan A. (Inventor); Saville, Dudley A. (Inventor)

2000-01-01

A method apparatus is provided for electrophoretically depositing particles onto an electrode, and electrohydrodynamically assembling the particles into crystalline structures. Specifically, the present method and apparatus creates a current flowing through a solution to cause identically charged electrophoretically deposited colloidal particles to attract each other over very large distances (<5 particle diameters) on the surface of electrodes to form two-dimensional colloidal crystals. The attractive force can be created with both DC and AC fields and can modulated by adjusting either the field strength or frequency of the current. Modulating this lateral attraction between the particles causes the reversible formation of two-dimensional fluid and crystalline colloidal states on the electrode surface. Further manipulation allows for the formation of two or three-dimensional colloidal crystals, as well as more complex designed structures. Once the required structures are formed, these three-dimension colloidal crystals can be permanently frozen or glued by controlled coagulation induced by to the applied field to form a stable crystalline structure.

Method for electrohydrodynamically assembling patterned colloidal structures

NASA Technical Reports Server (NTRS)

Trau, Mathias (Inventor); Aksay, Ilhan A. (Inventor); Saville, Dudley A. (Inventor)

1999-01-01

A method apparatus is provided for electrophoretically depositing particles onto an electrode, and electrohydrodynamically assembling the particles into crystalline structures. Specifically, the present method and apparatus creates a current flowing through a solution to cause identically charged electrophoretically deposited colloidal particles to attract each other over very large distances (<5 particle diameters) on the surface of electrodes to form two-dimensional colloidal crystals. The attractive force can be created with both DC and AC fields and can modulated by adjusting either the field strength or frequency of the current. Modulating this lateral attraction between the particles causes the reversible formation of two-dimensional fluid and crystalline colloidal states on the electrode surface. Further manipulation allows for the formation of two or three-dimensional colloidal crystals, as well as more complex designed structures. Once the required structures are formed, these three-dimension colloidal crystals can be permanently frozen or glued by controlled coagulation induced by to the applied field to form a stable crystalline structure.

Encounter complexes and dimensionality reduction in protein-protein association.

PubMed

Kozakov, Dima; Li, Keyong; Hall, David R; Beglov, Dmitri; Zheng, Jiefu; Vakili, Pirooz; Schueler-Furman, Ora; Paschalidis, Ioannis Ch; Clore, G Marius; Vajda, Sandor

2014-04-08

An outstanding challenge has been to understand the mechanism whereby proteins associate. We report here the results of exhaustively sampling the conformational space in protein-protein association using a physics-based energy function. The agreement between experimental intermolecular paramagnetic relaxation enhancement (PRE) data and the PRE profiles calculated from the docked structures shows that the method captures both specific and non-specific encounter complexes. To explore the energy landscape in the vicinity of the native structure, the nonlinear manifold describing the relative orientation of two solid bodies is projected onto a Euclidean space in which the shape of low energy regions is studied by principal component analysis. Results show that the energy surface is canyon-like, with a smooth funnel within a two dimensional subspace capturing over 75% of the total motion. Thus, proteins tend to associate along preferred pathways, similar to sliding of a protein along DNA in the process of protein-DNA recognition. DOI: http://dx.doi.org/10.7554/eLife.01370.001.

Encounter complexes and dimensionality reduction in protein–protein association

PubMed Central

Kozakov, Dima; Li, Keyong; Hall, David R; Beglov, Dmitri; Zheng, Jiefu; Vakili, Pirooz; Schueler-Furman, Ora; Paschalidis, Ioannis Ch; Clore, G Marius; Vajda, Sandor

2014-01-01

An outstanding challenge has been to understand the mechanism whereby proteins associate. We report here the results of exhaustively sampling the conformational space in protein–protein association using a physics-based energy function. The agreement between experimental intermolecular paramagnetic relaxation enhancement (PRE) data and the PRE profiles calculated from the docked structures shows that the method captures both specific and non-specific encounter complexes. To explore the energy landscape in the vicinity of the native structure, the nonlinear manifold describing the relative orientation of two solid bodies is projected onto a Euclidean space in which the shape of low energy regions is studied by principal component analysis. Results show that the energy surface is canyon-like, with a smooth funnel within a two dimensional subspace capturing over 75% of the total motion. Thus, proteins tend to associate along preferred pathways, similar to sliding of a protein along DNA in the process of protein-DNA recognition. DOI: http://dx.doi.org/10.7554/eLife.01370.001 PMID:24714491

Design and Simulation of Optically Actuated Bistable MEMS

NASA Astrophysics Data System (ADS)

Lucas, Thomas; Moiseeva, Evgeniya; Harnett, Cindy

2012-02-01

In this project, bistable three-dimensional MEMS actuators are designed to be optically switched between stable states for biological research applications. The structure is a strained rectangular frame created with stress-mismatched metal-oxide bilayers. The devices curl into an arc in one of two directions tangent to the substrate, and can switch orientation when regions are selectively heated. The heating is powered by infrared laser, and localized with patterned infrared-resonant gold nanoparticles on critical regions. The enhanced energy absorption on selected areas provides switching control and heightened response to narrow-band infrared light. Coventorware has been used for finite element analysis of the system. The numerical simulations indicate that it has two local minimum states with extremely rapid transition time (<<0.1 s) when the structure is thermally deformed. Actuation at laser power and thermal limits compatible with physiological applications will enable microfluidic pumping elements and fundamental studies of tissue response to three-dimensional mechanical stimuli, artificial-muscle based pumps and other biomedical devices triggered by tissue-permeant infrared light.

Two-dimensional over-all neutronics analysis of the ITER device

NASA Astrophysics Data System (ADS)

Zimin, S.; Takatsu, Hideyuki; Mori, Seiji; Seki, Yasushi; Satoh, Satoshi; Tada, Eisuke; Maki, Koichi

1993-07-01

The present work attempts to carry out a comprehensive neutronics analysis of the International Thermonuclear Experimental Reactor (ITER) developed during the Conceptual Design Activities (CDA). The two-dimensional cylindrical over-all calculational models of ITER CDA device including the first wall, blanket, shield, vacuum vessel, magnets, cryostat and support structures were developed for this purpose with a help of the DOGII code. Two dimensional DOT 3.5 code with the FUSION-40 nuclear data library was employed for transport calculations of neutron and gamma ray fluxes, tritium breeding ratio (TBR), and nuclear heating in reactor components. The induced activity calculational code CINAC was employed for the calculations of exposure dose rate after reactor shutdown around the ITER CDA device. The two-dimensional over-all calculational model includes the design specifics such as the pebble bed Li2O/Be layered blanket, the thin double wall vacuum vessel, the concrete cryostat integrated with the over-all ITER design, the top maintenance shield plug, the additional ring biological shield placed under the top cryostat lid around the above-mentioned top maintenance shield plug etc. All the above-mentioned design specifics were included in the employed calculational models. Some alternative design options, such as the water-rich shielding blanket instead of lithium-bearing one, the additional biological shield plug at the top zone between the poloidal field (PF) coil No. 5, and the maintenance shield plug, were calculated as well. Much efforts have been focused on analyses of obtained results. These analyses aimed to obtain necessary recommendations on improving the ITER CDA design.

Semisupervised kernel marginal Fisher analysis for face recognition.

PubMed

Wang, Ziqiang; Sun, Xia; Sun, Lijun; Huang, Yuchun

2013-01-01

Dimensionality reduction is a key problem in face recognition due to the high-dimensionality of face image. To effectively cope with this problem, a novel dimensionality reduction algorithm called semisupervised kernel marginal Fisher analysis (SKMFA) for face recognition is proposed in this paper. SKMFA can make use of both labelled and unlabeled samples to learn the projection matrix for nonlinear dimensionality reduction. Meanwhile, it can successfully avoid the singularity problem by not calculating the matrix inverse. In addition, in order to make the nonlinear structure captured by the data-dependent kernel consistent with the intrinsic manifold structure, a manifold adaptive nonparameter kernel is incorporated into the learning process of SKMFA. Experimental results on three face image databases demonstrate the effectiveness of our proposed algorithm.

OASIS Observation and Analysis of Smectic Islands in Space

NASA Technical Reports Server (NTRS)

Tin, Padetha

2014-01-01

The Observation and Analysis of Smectic Islands in Space (OASIS) project comprises a series of experiments that will probe the interfacial and hydrodynamic behavior of freely suspended liquid crystal films in space. These are the thinnest known stable condensed phase structures, making them ideal for studies of fluctuation and interface phenomena. The experiments seek to verify theories of coarsening dynamics, hydrodynamic flow, relaxation of hydrodynamic perturbations, and hydrodynamic interactions of a near two-dimensional structure. The effects of introducing islands or droplets on a very thin bubble will be studied, both as controllable inclusions that modify the flow and as markers of flow.

C terminal retroviral-type zinc finger domain from the HIV-1 nucleocapsid protein is structurally similar to the N-terminal zinc finger domain

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

South, T.L.; Blake, P.R.; Hare, D.R.

Two-dimensional NMR spectroscopic and computational methods were employed for the structure determination of an 18-residue peptide with the amino acid sequence of the C-terminal retriviral-type (r.t.) zinc finger domain from the nucleocapsid protein (NCP) of HIV-1 (Zn(HIV1-F2)). Unlike results obtained for the first retroviral-type zinc finger peptide, Zn (HIV1-F1) broad signals indicative of confomational lability were observed in the {sup 1}H NMR spectrum of An(HIV1-F2) at 25 C. The NMR signals narrowed upon cooling to {minus}2 C, enabling complete {sup 1}H NMR signal assignment via standard two-dimensional (2D) NMR methods. Distance restraints obtained from qualitative analysis of 2D nuclear Overhausermore » effect (NOESY) data were sued to generate 30 distance geometry (DG) structures with penalties in the range 0.02-0.03 {angstrom}{sup 2}. All structures were qualitatively consistent with the experimental NOESY spectrum based on comparisons with 2D NOESY back-calculated spectra. These results indicate that the r.t. zinc finger sequences observed in retroviral NCPs, simple plant virus coat proteins, and in a human single-stranded nucleic acid binding protein share a common structural motif.« less

3D structure of individual nanocrystals in solution by electron microscopy

DOE PAGES

Park, Jungwok; Elmlund, Hans; Ercius, Peter; ...

2015-07-17

Here, knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unorderedmore » nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.« less

Nanoparticle imaging. 3D structure of individual nanocrystals in solution by electron microscopy.

PubMed

Park, Jungwon; Elmlund, Hans; Ercius, Peter; Yuk, Jong Min; Limmer, David T; Chen, Qian; Kim, Kwanpyo; Han, Sang Hoon; Weitz, David A; Zettl, A; Alivisatos, A Paul

2015-07-17

Knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unordered nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale. Copyright © 2015, American Association for the Advancement of Science.

3D structure of individual nanocrystals in solution by electron microscopy

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

Park, Jungwok; Elmlund, Hans; Ercius, Peter

Here, knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unorderedmore » nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.« less