Enabling quaternion derivatives: the generalized HR calculus.

PubMed

Xu, Dongpo; Jahanchahi, Cyrus; Took, Clive C; Mandic, Danilo P

2015-08-01

Quaternion derivatives exist only for a very restricted class of analytic (regular) functions; however, in many applications, functions of interest are real-valued and hence not analytic, a typical case being the standard real mean square error objective function. The recent HR calculus is a step forward and provides a way to calculate derivatives and gradients of both analytic and non-analytic functions of quaternion variables; however, the HR calculus can become cumbersome in complex optimization problems due to the lack of rigorous product and chain rules, a consequence of the non-commutativity of quaternion algebra. To address this issue, we introduce the generalized HR (GHR) derivatives which employ quaternion rotations in a general orthogonal system and provide the left- and right-hand versions of the quaternion derivative of general functions. The GHR calculus also solves the long-standing problems of product and chain rules, mean-value theorem and Taylor's theorem in the quaternion field. At the core of the proposed GHR calculus is quaternion rotation, which makes it possible to extend the principle to other functional calculi in non-commutative settings. Examples in statistical learning theory and adaptive signal processing support the analysis.

Quaternionic (super) twistors extensions and general superspaces

NASA Astrophysics Data System (ADS)

Cirilo-Lombardo, Diego Julio; Pervushin, Victor N.

2017-09-01

In a attempt to treat a supergravity as a tensor representation, the four-dimensional N-extended quaternionic superspaces are constructed from the (diffeomorphyc) graded extension of the ordinary Penrose-twistor formulation, performed in a previous work of the authors [D. J. Cirilo-Lombardo and V. N. Pervushin, Int. J. Geom. Methods Mod. Phys., doi: http://dx.doi.org/10.1142/S0219887816501139.], with N = p + k. These quaternionic superspaces have 4 + k(N - k) even-quaternionic coordinates and 4N odd-quaternionic coordinates, where each coordinate is a quaternion composed by four ℂ-fields (bosons and fermions respectively). The fields content as the dimensionality (even and odd sectors) of these superspaces are given and exemplified by selected physical cases. In this case, the number of fields of the supergravity is determined by the number of components of the tensor representation of the four-dimensional N-extended quaternionic superspaces. The role of tensorial central charges for any N even USp(N) = Sp(N, ℍℂ) ∩ U(N, ℍℂ) is elucidated from this theoretical context.

On the Singularity in the Estimation of the Quaternion-of-Rotation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Thienel, Julie K.; Bauer, Frank (Technical Monitor)

2002-01-01

It has been claimed in the archival literature that the covariance matrix of a Kalman filter, which is designed to estimate the quaternion-of-rotation, is necessarily rank, deficient because the normality constraint of the quaternion produces dependence between the quaternion elements. In reality, though, this phenomenon does not occur. The covariance matrix is not singular, and the filter is well behaved. Several simple examples are presented th at demonstrate the regularity of the covariance matrix. First, a Kalman filter is designed to estimate variables subject to a functional relationship. Then the particular problem of quaternion estimation is analyzed. It is shown that the discrepancy stems from the fact that the functional relationship exists between the elements of the quaternion but not between its estimate elements.

Attitude Representations for Kalman Filtering

NASA Technical Reports Server (NTRS)

Markley, F. Landis; Bauer, Frank H. (Technical Monitor)

2001-01-01

The four-component quaternion has the lowest dimensionality possible for a globally nonsingular attitude representation, it represents the attitude matrix as a homogeneous quadratic function, and its dynamic propagation equation is bilinear in the quaternion and the angular velocity. The quaternion is required to obey a unit norm constraint, though, so Kalman filters often employ a quaternion for the global attitude estimate and a three-component representation for small errors about the estimate. We consider these mixed attitude representations for both a first-order Extended Kalman filter and a second-order filter, as well for quaternion-norm-preserving attitude propagation.

On the time-reversal symmetry in pseudo-Hermitian systems

NASA Astrophysics Data System (ADS)

Choutri, B.; Cherbal, O.; Ighezou, F. Z.; Trifonov, D. A.

2014-11-01

In a recent paper [M. Sato, K. Hasebe, K. Esaki, and M. Kohmoto, Prog. Theor. Phys. 127, 937 (2012)] Sato and his collaborators established a generalization of the Kramers degeneracy structure to pseudo-Hermitian Hamiltonian systems, admitting even time-reversal symmetry, T2=1. This extension is achieved using the mathematical structure of split-quaternions instead of quaternions, usually adopted in the case of Hermitian Hamiltonians with odd time-reversal symmetry, T2=-1. Here we find that the metric operator for the pseudo-Hermitian Hamiltonian H that allows the realization of the generalized Kramers degeneracy is necessarily indefinite. We show that such H with real spectrum also possesses odd antilinear symmetry induced from the existing odd time-reversal symmetry of its Hermitian counterpart h, so that the generalized Kramers degeneracy of H is in fact crypto-Hermitian Kramers degeneracy. We study in greater detail a new example of the pseudo-Hermitian split-quaternionic four-level Hamiltonian system, which admits an indefinite metric operator and time-reversal symmetry and, as a consequence, a generalized Kramers degeneracy structure. We provide a complete solution of the eigenvalue problem, construct pseudo-Hermitian ladder operators closing the normal and abnormal pseudo-fermionic algebras, and show that this system fulfills a crypto-Hermitian degeneracy.

On the Singularity in the Estimation of the Quaternion-of-Rotation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Thienel, Julie K.

2003-01-01

It has been claimed in the archival literature that the covariance matrix of a Kalman filter, which is designed to estimate the quaternion-of-rotation, is necessarily rank deficient because the normality constraint of the quaternion produces dependence between the quaternion elements. In reality, though, this phenomenon does not occur. The covariance matrix is not singular, and the filter is well behaved. Several simple examples are presented that demonstrate the regularity of the covariance matrix. First, estimation cases are presented where a relationship exists between the estimated variables, and yet the covariance matrix is not singular. Then the particular problem of quaternion estimation is analyzed. It is shown that the discrepancy stems from the fact that a functional relationship exists between the elements of the true quaternion but not between its estimated elements.

Multiplicative Quaternion Extended Kalman Filtering for Nonspinning Guided Projectiles

DTIC Science & Technology

2013-07-01

tactical applications are inertial. The advantages of using quaternions rather than Euler angles to represent projectile attitude are discussed, and...projectiles generally don’t experience a wide range of heading angles , this has not a primary concern. The other major advantage of quaternions (or...DCMs) over Euler angles is their propagation equations are linear with respect to the quaternion and only depend on the IMU’s angular velocity. This

Weierstrass method for quaternionic polynomial root-finding

NASA Astrophysics Data System (ADS)

Falcão, M. Irene; Miranda, Fernando; Severino, Ricardo; Soares, M. Joana

2018-01-01

Quaternions, introduced by Hamilton in 1843 as a generalization of complex numbers, have found, in more recent years, a wealth of applications in a number of different areas which motivated the design of efficient methods for numerically approximating the zeros of quaternionic polynomials. In fact, one can find in the literature recent contributions to this subject based on the use of complex techniques, but numerical methods relying on quaternion arithmetic remain scarce. In this paper we propose a Weierstrass-like method for finding simultaneously {\\sl all} the zeros of unilateral quaternionic polynomials. The convergence analysis and several numerical examples illustrating the performance of the method are also presented.

Comparison of two SVD-based color image compression schemes.

PubMed

Li, Ying; Wei, Musheng; Zhang, Fengxia; Zhao, Jianli

2017-01-01

Color image compression is a commonly used process to represent image data as few bits as possible, which removes redundancy in the data while maintaining an appropriate level of quality for the user. Color image compression algorithms based on quaternion are very common in recent years. In this paper, we propose a color image compression scheme, based on the real SVD, named real compression scheme. First, we form a new real rectangular matrix C according to the red, green and blue components of the original color image and perform the real SVD for C. Then we select several largest singular values and the corresponding vectors in the left and right unitary matrices to compress the color image. We compare the real compression scheme with quaternion compression scheme by performing quaternion SVD using the real structure-preserving algorithm. We compare the two schemes in terms of operation amount, assignment number, operation speed, PSNR and CR. The experimental results show that with the same numbers of selected singular values, the real compression scheme offers higher CR, much less operation time, but a little bit smaller PSNR than the quaternion compression scheme. When these two schemes have the same CR, the real compression scheme shows more prominent advantages both on the operation time and PSNR.

Comparison of two SVD-based color image compression schemes

PubMed Central

Li, Ying; Wei, Musheng; Zhang, Fengxia; Zhao, Jianli

2017-01-01

Color image compression is a commonly used process to represent image data as few bits as possible, which removes redundancy in the data while maintaining an appropriate level of quality for the user. Color image compression algorithms based on quaternion are very common in recent years. In this paper, we propose a color image compression scheme, based on the real SVD, named real compression scheme. First, we form a new real rectangular matrix C according to the red, green and blue components of the original color image and perform the real SVD for C. Then we select several largest singular values and the corresponding vectors in the left and right unitary matrices to compress the color image. We compare the real compression scheme with quaternion compression scheme by performing quaternion SVD using the real structure-preserving algorithm. We compare the two schemes in terms of operation amount, assignment number, operation speed, PSNR and CR. The experimental results show that with the same numbers of selected singular values, the real compression scheme offers higher CR, much less operation time, but a little bit smaller PSNR than the quaternion compression scheme. When these two schemes have the same CR, the real compression scheme shows more prominent advantages both on the operation time and PSNR. PMID:28257451

On Pfaffian Random Point Fields

NASA Astrophysics Data System (ADS)

Kargin, V.

2014-02-01

We study Pfaffian random point fields by using the Moore-Dyson quaternion determinants. First, we give sufficient conditions that ensure that a self-dual quaternion kernel defines a valid random point field, and then we prove a CLT for Pfaffian point fields. The proofs are based on a new quaternion extension of the Cauchy-Binet determinantal identity. In addition, we derive the Fredholm determinantal formulas for the Pfaffian point fields which use the quaternion determinant.

Comparison between Euler and quaternion parametrization in UAV dynamics

NASA Astrophysics Data System (ADS)

Alaimo, A.; Artale, V.; Milazzo, C.; Ricciardello, A.

2013-10-01

The main topic addressed in this paper is a comparison between Euler parametrization and Quaternion one in the description of the dynamics of a Unmanned Aerial Vehicle assumed as a rigid body. In details Newton Euler equations are re-written in terms of quaternions due to the singularities that the Euler angles lead. This formulation not only avoids the gimbal lock but also allows a better performance in numerical implementation thanks to the linearity of quaternion algebra. This kind of analysis, proved by some numerical results presented, has a great importance due to the applicability of quaternion to drone control. Indeed, this latter requires a time response as quick as possible, in order to be reliable.

New public key cryptosystem based on quaternions

NASA Astrophysics Data System (ADS)

Durcheva, Mariana; Karailiev, Kristian

2017-12-01

Quaternions are not commonly used in cryptography. Nevertheless, the noncommutativity of their multiplication makes them suitable for cryptographic purposes. In this paper we suggest a Diffie-Hellman like cryptosystem based on the the quaternions. Additionally, a computer realization of the protocol is given.

Quaternionic Kähler Detour Complexes and {mathcal{N} = 2} Supersymmetric Black Holes

NASA Astrophysics Data System (ADS)

Cherney, D.; Latini, E.; Waldron, A.

2011-03-01

We study a class of supersymmetric spinning particle models derived from the radial quantization of stationary, spherically symmetric black holes of four dimensional {{mathcal N} = 2} supergravities. By virtue of the c-map, these spinning particles move in quaternionic Kähler manifolds. Their spinning degrees of freedom describe mini-superspace-reduced supergravity fermions. We quantize these models using BRST detour complex technology. The construction of a nilpotent BRST charge is achieved by using local (worldline) supersymmetry ghosts to generate special holonomy transformations. (An interesting byproduct of the construction is a novel Dirac operator on the superghost extended Hilbert space.) The resulting quantized models are gauge invariant field theories with fields equaling sections of special quaternionic vector bundles. They underly and generalize the quaternionic version of Dolbeault cohomology discovered by Baston. In fact, Baston’s complex is related to the BPS sector of the models we write down. Our results rely on a calculus of operators on quaternionic Kähler manifolds that follows from BRST machinery, and although directly motivated by black hole physics, can be broadly applied to any model relying on quaternionic geometry.

Understanding Quaternions and the Dirac Belt Trick

ERIC Educational Resources Information Center

Staley, Mark

2010-01-01

The Dirac belt trick is often employed in physics classrooms to show that a 2n rotation is not topologically equivalent to the absence of rotation whereas a 4n rotation is, mirroring a key property of quaternions and their isomorphic cousins, spinors. The belt trick can leave the student wondering if a real understanding of quaternions and spinors…

The para-HK/QK correspondence

NASA Astrophysics Data System (ADS)

Dyckmanns, Malte; Vaughan, Owen

2017-06-01

We generalise the hyper-Kähler/quaternionic Kähler (HK/QK) correspondence to include para-geometries, and present a new concise proof that the target manifold of the HK/QK correspondence is quaternionic Kähler. As an application, we construct one-parameter deformations of the temporal and Euclidean supergravity c-map metrics and show that they are para-quaternionic Kähler.

Quaternion-Based Texture Analysis of Multiband Satellite Images: Application to the Estimation of Aboveground Biomass in the East Region of Cameroon.

PubMed

Djiongo Kenfack, Cedrigue Boris; Monga, Olivier; Mpong, Serge Moto; Ndoundam, René

2018-03-01

Within the last decade, several approaches using quaternion numbers to handle and model multiband images in a holistic manner were introduced. The quaternion Fourier transform can be efficiently used to model texture in multidimensional data such as color images. For practical application, multispectral satellite data appear as a primary source for measuring past trends and monitoring changes in forest carbon stocks. In this work, we propose a texture-color descriptor based on the quaternion Fourier transform to extract relevant information from multiband satellite images. We propose a new multiband image texture model extraction, called FOTO++, in order to address biomass estimation issues. The first stage consists in removing noise from the multispectral data while preserving the edges of canopies. Afterward, color texture descriptors are extracted thanks to a discrete form of the quaternion Fourier transform, and finally the support vector regression method is used to deduce biomass estimation from texture indices. Our texture features are modeled using a vector composed with the radial spectrum coming from the amplitude of the quaternion Fourier transform. We conduct several experiments in order to study the sensitivity of our model to acquisition parameters. We also assess its performance both on synthetic images and on real multispectral images of Cameroonian forest. The results show that our model is more robust to acquisition parameters than the classical Fourier Texture Ordination model (FOTO). Our scheme is also more accurate for aboveground biomass estimation. We stress that a similar methodology could be implemented using quaternion wavelets. These results highlight the potential of the quaternion-based approach to study multispectral satellite images.

Quaternion-Based Signal Analysis for Motor Imagery Classification from Electroencephalographic Signals.

PubMed

Batres-Mendoza, Patricia; Montoro-Sanjose, Carlos R; Guerra-Hernandez, Erick I; Almanza-Ojeda, Dora L; Rostro-Gonzalez, Horacio; Romero-Troncoso, Rene J; Ibarra-Manzano, Mario A

2016-03-05

Quaternions can be used as an alternative to model the fundamental patterns of electroencephalographic (EEG) signals in the time domain. Thus, this article presents a new quaternion-based technique known as quaternion-based signal analysis (QSA) to represent EEG signals obtained using a brain-computer interface (BCI) device to detect and interpret cognitive activity. This quaternion-based signal analysis technique can extract features to represent brain activity related to motor imagery accurately in various mental states. Experimental tests in which users where shown visual graphical cues related to left and right movements were used to collect BCI-recorded signals. These signals were then classified using decision trees (DT), support vector machine (SVM) and k-nearest neighbor (KNN) techniques. The quantitative analysis of the classifiers demonstrates that this technique can be used as an alternative in the EEG-signal modeling phase to identify mental states.

Quaternion-Based Signal Analysis for Motor Imagery Classification from Electroencephalographic Signals

PubMed Central

Batres-Mendoza, Patricia; Montoro-Sanjose, Carlos R.; Guerra-Hernandez, Erick I.; Almanza-Ojeda, Dora L.; Rostro-Gonzalez, Horacio; Romero-Troncoso, Rene J.; Ibarra-Manzano, Mario A.

2016-01-01

Quaternions can be used as an alternative to model the fundamental patterns of electroencephalographic (EEG) signals in the time domain. Thus, this article presents a new quaternion-based technique known as quaternion-based signal analysis (QSA) to represent EEG signals obtained using a brain-computer interface (BCI) device to detect and interpret cognitive activity. This quaternion-based signal analysis technique can extract features to represent brain activity related to motor imagery accurately in various mental states. Experimental tests in which users where shown visual graphical cues related to left and right movements were used to collect BCI-recorded signals. These signals were then classified using decision trees (DT), support vector machine (SVM) and k-nearest neighbor (KNN) techniques. The quantitative analysis of the classifiers demonstrates that this technique can be used as an alternative in the EEG-signal modeling phase to identify mental states. PMID:26959029

Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations.

PubMed

Linke, Max; Köfinger, Jürgen; Hummer, Gerhard

2018-05-31

We present a method to calculate the fully anisotropic rotational diffusion tensor from molecular dynamics simulations. Our approach is based on fitting the time-dependent covariance matrix of the quaternions that describe the rigid-body rotational dynamics. Explicit analytical expressions have been derived for the covariances by Favro, which are valid irrespective of the degree of anisotropy. We use these expressions to determine an optimal rotational diffusion tensor from trajectory data. The molecular structures are aligned against a reference by optimal rigid-body superposition. The quaternion covariances can then be obtained directly from the rotation matrices used in the alignment. The rotational diffusion tensor is determined by a fit to the time-dependent quaternion covariances, or directly by Laplace transformation and matrix diagonalization. To quantify uncertainties in the fit, we derive analytical expressions and compare them with the results of Brownian dynamics simulations of anisotropic rotational diffusion. We apply the method to microsecond long trajectories of the Dickerson-Drew B-DNA dodecamer and of horse heart myoglobin. The anisotropic rotational diffusion tensors calculated from simulations agree well with predictions from hydrodynamics.

Hamilton and the square root of minus one

NASA Astrophysics Data System (ADS)

Weinberger, Peter

2014-04-01

Quaternions, objects consisting of a scalar and a vector, sound like a mysterious concept from the past. In the nineteenth century, the theory of quaternions was praised as one of the most brilliant achievements in mathematical physics. The originator of this theory, Hamilton, surely one of the greatest scientists in that area, spent about 18 years in discussing all kinds of algebraic and geometric properties of quaternions. His research was communicated to the Philosophical Magazine in three series of papers comprising a total of 29 contributions. In this commentary, these three series of papers are revisited concentrating primarily on the algebraic properties of quaternions.

[An Improved Spectral Quaternion Interpolation Method of Diffusion Tensor Imaging].

PubMed

Xu, Yonghong; Gao, Shangce; Hao, Xiaofei

2016-04-01

Diffusion tensor imaging(DTI)is a rapid development technology in recent years of magnetic resonance imaging.The diffusion tensor interpolation is a very important procedure in DTI image processing.The traditional spectral quaternion interpolation method revises the direction of the interpolation tensor and can preserve tensors anisotropy,but the method does not revise the size of tensors.The present study puts forward an improved spectral quaternion interpolation method on the basis of traditional spectral quaternion interpolation.Firstly,we decomposed diffusion tensors with the direction of tensors being represented by quaternion.Then we revised the size and direction of the tensor respectively according to different situations.Finally,we acquired the tensor of interpolation point by calculating the weighted average.We compared the improved method with the spectral quaternion method and the Log-Euclidean method by the simulation data and the real data.The results showed that the improved method could not only keep the monotonicity of the fractional anisotropy(FA)and the determinant of tensors,but also preserve the tensor anisotropy at the same time.In conclusion,the improved method provides a kind of important interpolation method for diffusion tensor image processing.

Attitude Error Representations for Kalman Filtering

NASA Technical Reports Server (NTRS)

Markley, F. Landis; Bauer, Frank H. (Technical Monitor)

2002-01-01

The quaternion has the lowest dimensionality possible for a globally nonsingular attitude representation. The quaternion must obey a unit norm constraint, though, which has led to the development of an extended Kalman filter using a quaternion for the global attitude estimate and a three-component representation for attitude errors. We consider various attitude error representations for this Multiplicative Extended Kalman Filter and its second-order extension.

Optimal Variable-Structure Control Tracking of Spacecraft Maneuvers

NASA Technical Reports Server (NTRS)

Crassidis, John L.; Vadali, Srinivas R.; Markley, F. Landis

1999-01-01

An optimal control approach using variable-structure (sliding-mode) tracking for large angle spacecraft maneuvers is presented. The approach expands upon a previously derived regulation result using a quaternion parameterization for the kinematic equations of motion. This parameterization is used since it is free of singularities. The main contribution of this paper is the utilization of a simple term in the control law that produces a maneuver to the reference attitude trajectory in the shortest distance. Also, a multiplicative error quaternion between the desired and actual attitude is used to derive the control law. Sliding-mode switching surfaces are derived using an optimal-control analysis. Control laws are given using either external torque commands or reaction wheel commands. Global asymptotic stability is shown for both cases using a Lyapunov analysis. Simulation results are shown which use the new control strategy to stabilize the motion of the Microwave Anisotropy Probe spacecraft.

Quaternion-valued single-phase model for three-phase power system

NASA Astrophysics Data System (ADS)

Gou, Xiaoming; Liu, Zhiwen; Liu, Wei; Xu, Yougen; Wang, Jiabin

2018-03-01

In this work, a quaternion-valued model is proposed in lieu of the Clarke's α, β transformation to convert three-phase quantities to a hypercomplex single-phase signal. The concatenated signal can be used for harmonic distortion detection in three-phase power systems. In particular, the proposed model maps all the harmonic frequencies into frequencies in the quaternion domain, while the Clarke's transformation-based methods will fail to detect the zero sequence voltages. Based on the quaternion-valued model, the Fourier transform, the minimum variance distortionless response (MVDR) algorithm and the multiple signal classification (MUSIC) algorithm are presented as examples to detect harmonic distortion. Simulations are provided to demonstrate the potentials of this new modeling method.

Dealing with the Quaternion Antipodal Problem for Advecting Fields

DTIC Science & Technology

2017-12-01

public release; distribution is unlimited. NOTICES Disclaimers The findings in this report are not to be construed as an official Department of the Army...primary author’s email: <richard.c.becker.civ@mail.mil>. Quaternion representations of rotations are proposed for advecting rotations in large strain...products of quaternions to ameliorate these issues. The results of both are unique and continuous, but the former does not capture the correct

Dynamic modeling and ascent flight control of Ares-I Crew Launch Vehicle

NASA Astrophysics Data System (ADS)

Du, Wei

This research focuses on dynamic modeling and ascent flight control of large flexible launch vehicles such as the Ares-I Crew Launch Vehicle (CLV). A complete set of six-degrees-of-freedom dynamic models of the Ares-I, incorporating its propulsion, aerodynamics, guidance and control, and structural flexibility, is developed. NASA's Ares-I reference model and the SAVANT Simulink-based program are utilized to develop a Matlab-based simulation and linearization tool for an independent validation of the performance and stability of the ascent flight control system of large flexible launch vehicles. A linearized state-space model as well as a non-minimum-phase transfer function model (which is typical for flexible vehicles with non-collocated actuators and sensors) are validated for ascent flight control design and analysis. This research also investigates fundamental principles of flight control analysis and design for launch vehicles, in particular the classical "drift-minimum" and "load-minimum" control principles. It is shown that an additional feedback of angle-of-attack can significantly improve overall performance and stability, especially in the presence of unexpected large wind disturbances. For a typical "non-collocated actuator and sensor" control problem for large flexible launch vehicles, non-minimum-phase filtering of "unstably interacting" bending modes is also shown to be effective. The uncertainty model of a flexible launch vehicle is derived. The robust stability of an ascent flight control system design, which directly controls the inertial attitude-error quaternion and also employs the non-minimum-phase filters, is verified by the framework of structured singular value (mu) analysis. Furthermore, nonlinear coupled dynamic simulation results are presented for a reference model of the Ares-I CLV as another validation of the feasibility of the ascent flight control system design. Another important issue for a single main engine launch vehicle is stability under mal-function of the roll control system. The roll motion of the Ares-I Crew Launch Vehicle under nominal flight conditions is actively stabilized by its roll control system employing thrusters. This dissertation describes the ascent flight control design problem of Ares-I in the event of disabled or failed roll control. A simple pitch/yaw control logic is developed for such a technically challenging problem by exploiting the inherent versatility of a quaternion-based attitude control system. The proposed scheme requires only the desired inertial attitude quaternion to be re-computed using the actual uncontrolled roll angle information to achieve an ascent flight trajectory identical to the nominal flight case with active roll control. Another approach that utilizes a simple adjustment of the proportional-derivative gains of the quaternion-based flight control system without active roll control is also presented. This approach doesn't require the re-computation of desired inertial attitude quaternion. A linear stability criterion is developed for proper adjustments of attitude and rate gains. The linear stability analysis results are validated by nonlinear simulations of the ascent flight phase. However, the first approach, requiring a simple modification of the desired attitude quaternion, is recommended for the Ares-I as well as other launch vehicles in the event of no active roll control. Finally, the method derived to stabilize a large flexible launch vehicle in the event of uncontrolled roll drift is generalized as a modified attitude quaternion feedback law. It is used to stabilize an axisymmetric rigid body by two independent control torques.

Quaternion-valued echo state networks.

PubMed

Xia, Yili; Jahanchahi, Cyrus; Mandic, Danilo P

2015-04-01

Quaternion-valued echo state networks (QESNs) are introduced to cater for 3-D and 4-D processes, such as those observed in the context of renewable energy (3-D wind modeling) and human centered computing (3-D inertial body sensors). The introduction of QESNs is made possible by the recent emergence of quaternion nonlinear activation functions with local analytic properties, required by nonlinear gradient descent training algorithms. To make QENSs second-order optimal for the generality of quaternion signals (both circular and noncircular), we employ augmented quaternion statistics to introduce widely linear QESNs. To that end, the standard widely linear model is modified so as to suit the properties of dynamical reservoir, typically realized by recurrent neural networks. This allows for a full exploitation of second-order information in the data, contained both in the covariance and pseudocovariances, and a rigorous account of second-order noncircularity (improperness), and the corresponding power mismatch and coupling between the data components. Simulations in the prediction setting on both benchmark circular and noncircular signals and on noncircular real-world 3-D body motion data support the analysis.

A Non-Linear Simulation for an Autonomous Unmanned Air Vehicle

DTIC Science & Technology

1993-09-01

4D cos T cos 4D cos T r These equations can now be integrated to find the time history of the Euler angles . 2. Quaternions Another choice for the...is associated with the Euler angles . Quaternions haxe been in 15 use for quite some time. having been discovered by Euler in a search for complex... quaternions has the following advantages over Euler angles in repre- senting spatial orientation of a rigid body: "* Four states required to express the

Dual tree fractional quaternion wavelet transform for disparity estimation.

PubMed

Kumar, Sanoj; Kumar, Sanjeev; Sukavanam, Nagarajan; Raman, Balasubramanian

2014-03-01

This paper proposes a novel phase based approach for computing disparity as the optical flow from the given pair of consecutive images. A new dual tree fractional quaternion wavelet transform (FrQWT) is proposed by defining the 2D Fourier spectrum upto a single quadrant. In the proposed FrQWT, each quaternion wavelet consists of a real part (a real DWT wavelet) and three imaginary parts that are organized according to the quaternion algebra. First two FrQWT phases encode the shifts of image features in the absolute horizontal and vertical coordinate system, while the third phase has the texture information. The FrQWT allowed a multi-scale framework for calculating and adjusting local disparities and executing phase unwrapping from coarse to fine scales with linear computational efficiency. Copyright © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

Comment on "Peres experiment using photons: No test for hypercomplex (quaternionic) quantum theories"

NASA Astrophysics Data System (ADS)

Procopio, Lorenzo M.; Rozema, Lee A.; Dakić, Borivoje; Walther, Philip

2017-09-01

In his recent article [Phys. Rev. A 95, 060101(R) (2017), 10.1103/PhysRevA.95.060101], Adler questions the usefulness of the bound found in our experimental search for genuine effects of hypercomplex quantum mechanics [Nat. Commun. 8, 15044 (2017), 10.1038/ncomms15044]. Our experiment was performed using a black-box (instrumentalist) approach to generalized probabilistic theories; therefore, it does not assume a priori any particular underlying mechanism. From that point of view our experimental results do indeed place meaningful bounds on the possible effects of "postquantum theories," including quaternionic quantum mechanics. In his article, Adler compares our experiment to nonrelativistic and Möller formal scattering theories within quaternionic quantum mechanics. With a particular set of assumptions, he finds that quaternionic effects would likely not manifest themselves in general. Although these assumptions are justified in the nonrelativistic case, a proper calculation for relativistic particles is still missing. Here, we provide a concrete relativistic example of Klein-Gordon scattering wherein the quaternionic effects persist. We note that when the Klein-Gordon equation is formulated using a Hamiltonian formalism it displays a so-called "indefinite metric," a characteristic feature of relativistic quantum wave equations. In Adler's example this is directly forbidden by his assumptions, and therefore our present example is not in contradiction to his work. In complex quantum mechanics this problem of an indefinite metric is solved in a second quantization. Unfortunately, there is no known algorithm for canonical field quantization in quaternionic quantum mechanics.

The application of quaternions and other spatial representations to the reconstruction of re-entry vehicle motion.

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

De Sapio, Vincent

2010-09-01

The analysis of spacecraft kinematics and dynamics requires an efficient scheme for spatial representation. While the representation of displacement in three dimensional Euclidean space is straightforward, orientation in three dimensions poses particular challenges. The unit quaternion provides an approach that mitigates many of the problems intrinsic in other representation approaches, including the ill-conditioning that arises from computing many successive rotations. This report focuses on the computational utility of unit quaternions and their application to the reconstruction of re-entry vehicle (RV) motion history from sensor data. To this end they will be used in conjunction with other kinematic and data processingmore » techniques. We will present a numerical implementation for the reconstruction of RV motion solely from gyroscope and accelerometer data. This will make use of unit quaternions due to their numerical efficacy in dealing with the composition of many incremental rotations over a time series. In addition to signal processing and data conditioning procedures, algorithms for numerical quaternion-based integration of gyroscope data will be addressed, as well as accelerometer triangulation and integration to yield RV trajectory. Actual processed flight data will be presented to demonstrate the implementation of these methods.« less

Supervised neural network classification of pre-sliced cooked pork ham images using quaternionic singular values.

PubMed

Valous, Nektarios A; Mendoza, Fernando; Sun, Da-Wen; Allen, Paul

2010-03-01

The quaternionic singular value decomposition is a technique to decompose a quaternion matrix (representation of a colour image) into quaternion singular vector and singular value component matrices exposing useful properties. The objective of this study was to use a small portion of uncorrelated singular values, as robust features for the classification of sliced pork ham images, using a supervised artificial neural network classifier. Images were acquired from four qualities of sliced cooked pork ham typically consumed in Ireland (90 slices per quality), having similar appearances. Mahalanobis distances and Pearson product moment correlations were used for feature selection. Six highly discriminating features were used as input to train the neural network. An adaptive feedforward multilayer perceptron classifier was employed to obtain a suitable mapping from the input dataset. The overall correct classification performance for the training, validation and test set were 90.3%, 94.4%, and 86.1%, respectively. The results confirm that the classification performance was satisfactory. Extracting the most informative features led to the recognition of a set of different but visually quite similar textural patterns based on quaternionic singular values. Copyright 2009 Elsevier Ltd. All rights reserved.

A 3D Ginibre Point Field

NASA Astrophysics Data System (ADS)

Kargin, Vladislav

2018-06-01

We introduce a family of three-dimensional random point fields using the concept of the quaternion determinant. The kernel of each field is an n-dimensional orthogonal projection on a linear space of quaternionic polynomials. We find explicit formulas for the basis of the orthogonal quaternion polynomials and for the kernel of the projection. For number of particles n → ∞, we calculate the scaling limits of the point field in the bulk and at the center of coordinates. We compare our construction with the previously introduced Fermi-sphere point field process.

Anisotropic analysis of trabecular architecture in human femur bone radiographs using quaternion wavelet transforms.

PubMed

Sangeetha, S; Sujatha, C M; Manamalli, D

2014-01-01

In this work, anisotropy of compressive and tensile strength regions of femur trabecular bone are analysed using quaternion wavelet transforms. The normal and abnormal femur trabecular bone radiographic images are considered for this study. The sub-anatomic regions, which include compressive and tensile regions, are delineated using pre-processing procedures. These delineated regions are subjected to quaternion wavelet transforms and statistical parameters are derived from the transformed images. These parameters are correlated with apparent porosity, which is derived from the strength regions. Further, anisotropy is also calculated from the transformed images and is analyzed. Results show that the anisotropy values derived from second and third phase components of quaternion wavelet transform are found to be distinct for normal and abnormal samples with high statistical significance for both compressive and tensile regions. These investigations demonstrate that architectural anisotropy derived from QWT analysis is able to differentiate normal and abnormal samples.

Coherent multiscale image processing using dual-tree quaternion wavelets.

PubMed

Chan, Wai Lam; Choi, Hyeokho; Baraniuk, Richard G

2008-07-01

The dual-tree quaternion wavelet transform (QWT) is a new multiscale analysis tool for geometric image features. The QWT is a near shift-invariant tight frame representation whose coefficients sport a magnitude and three phases: two phases encode local image shifts while the third contains image texture information. The QWT is based on an alternative theory for the 2-D Hilbert transform and can be computed using a dual-tree filter bank with linear computational complexity. To demonstrate the properties of the QWT's coherent magnitude/phase representation, we develop an efficient and accurate procedure for estimating the local geometrical structure of an image. We also develop a new multiscale algorithm for estimating the disparity between a pair of images that is promising for image registration and flow estimation applications. The algorithm features multiscale phase unwrapping, linear complexity, and sub-pixel estimation accuracy.

Robust rotational-velocity-Verlet integration methods.

PubMed

Rozmanov, Dmitri; Kusalik, Peter G

2010-05-01

Two rotational integration algorithms for rigid-body dynamics are proposed in velocity-Verlet formulation. The first method uses quaternion dynamics and was derived from the original rotational leap-frog method by Svanberg [Mol. Phys. 92, 1085 (1997)]; it produces time consistent positions and momenta. The second method is also formulated in terms of quaternions but it is not quaternion specific and can be easily adapted for any other orientational representation. Both the methods are tested extensively and compared to existing rotational integrators. The proposed integrators demonstrated performance at least at the level of previously reported rotational algorithms. The choice of simulation parameters is also discussed.

Robust rotational-velocity-Verlet integration methods

NASA Astrophysics Data System (ADS)

Rozmanov, Dmitri; Kusalik, Peter G.

2010-05-01

Two rotational integration algorithms for rigid-body dynamics are proposed in velocity-Verlet formulation. The first method uses quaternion dynamics and was derived from the original rotational leap-frog method by Svanberg [Mol. Phys. 92, 1085 (1997)]; it produces time consistent positions and momenta. The second method is also formulated in terms of quaternions but it is not quaternion specific and can be easily adapted for any other orientational representation. Both the methods are tested extensively and compared to existing rotational integrators. The proposed integrators demonstrated performance at least at the level of previously reported rotational algorithms. The choice of simulation parameters is also discussed.

Quaternion-Based Conversion Formulas for Kinematic Attitude of Floating Offshore Wind Turbines (FOWT)

NASA Astrophysics Data System (ADS)

Li, Yugang; Fu, Gaoyong

2018-01-01

A floater allowing large-angle motion supporting a large payload (wind turbine and nacelle) with large aerodynamic loads high above the water surface is a great challenge because of the raised center of gravity and large overturning moment. In this paper, the conversion formulas between Euler angles and quaternions were derived, the research offered an efficient methodology without singularity to compute large-angle rigid body rotations of a FOWT, which laid the foundation for quaternion-based attitude kinematic model introduced to describe the dynamic response of the FOWT system and further solution.

Angular-Rate Estimation Using Delayed Quaternion Measurements

NASA Technical Reports Server (NTRS)

Azor, R.; Bar-Itzhack, I. Y.; Harman, R. R.

1999-01-01

This paper presents algorithms for estimating the angular-rate vector of satellites using quaternion measurements. Two approaches are compared one that uses differentiated quaternion measurements to yield coarse rate measurements, which are then fed into two different estimators. In the other approach the raw quaternion measurements themselves are fed directly into the two estimators. The two estimators rely on the ability to decompose the non-linear part of the rotas rotational dynamics equation of a body into a product of an angular-rate dependent matrix and the angular-rate vector itself. This non unique decomposition, enables the treatment of the nonlinear spacecraft (SC) dynamics model as a linear one and, thus, the application of a PseudoLinear Kalman Filter (PSELIKA). It also enables the application of a special Kalman filter which is based on the use of the solution of the State Dependent Algebraic Riccati Equation (SDARE) in order to compute the gain matrix and thus eliminates the need to compute recursively the filter covariance matrix. The replacement of the rotational dynamics by a simple Markov model is also examined. In this paper special consideration is given to the problem of delayed quaternion measurements. Two solutions to this problem are suggested and tested. Real Rossi X-Ray Timing Explorer (RXTE) data is used to test these algorithms, and results are presented.

Quaternion regularization in celestial mechanics, astrodynamics, and trajectory motion control. III

NASA Astrophysics Data System (ADS)

Chelnokov, Yu. N.

2015-09-01

The present paper1 analyzes the basic problems arising in the solution of problems of the optimum control of spacecraft (SC) trajectory motion (including the Lyapunov instability of solutions of conjugate equations) using the principle of the maximum. The use of quaternion models of astrodynamics is shown to allow: (1) the elimination of singular points in the differential phase and conjugate equations and in their partial analytical solutions; (2) construction of the first integrals of the new quaternion; (3) a considerable decrease of the dimensions of systems of differential equations of boundary value optimization problems with their simultaneous simplification by using the new quaternion variables related with quaternion constants of motion by rotation transformations; (4) construction of general solutions of differential equations for phase and conjugate variables on the sections of SC passive motion in the simplest and most convenient form, which is important for the solution of optimum pulse SC transfers; (5) the extension of the possibilities of the analytical investigation of differential equations of boundary value problems with the purpose of identifying the basic laws of optimum control and motion of SC; (6) improvement of the computational stability of the solution of boundary value problems; (7) a decrease in the required volume of computation.

Pluripotential theory on quaternionic manifolds

NASA Astrophysics Data System (ADS)

Alesker, Semyon

2012-05-01

On any quaternionic manifold of dimension greater than 4 a class of plurisubharmonic functions (or, rather, sections of an appropriate line bundle) is introduced. Then a Monge-Ampère operator is defined. It is shown that it satisfies a version of the theorems of A. D. Alexandrov and Chern-Levine-Nirenberg. For more special classes of manifolds analogous results were previously obtained in Alesker (2003) [1] for the flat quaternionic space Hn and in Alesker and Verbitsky (2006) [5] for hypercomplex manifolds. One of the new technical aspects of the present paper is the systematic use of the Baston differential operators, for which we also prove a new multiplicativity property.

Linearizing feedforward/feedback attitude control

NASA Technical Reports Server (NTRS)

Paielli, Russell A.; Bach, Ralph E.

1991-01-01

An approach to attitude control theory is introduced in which a linear form is postulated for the closed-loop rotation error dynamics, then the exact control law required to realize it is derived. The nonminimal (four-component) quaternion form is used to attitude because it is globally nonsingular, but the minimal (three-component) quaternion form is used for attitude error because it has no nonlinear constraints to prevent the rotational error dynamics from being linearized, and the definition of the attitude error is based on quaternion algebra. This approach produces an attitude control law that linearizes the closed-loop rotational error dynamics exactly, without any attitude singularities, even if the control errors become large.

Color image enhancement of medical images using alpha-rooting and zonal alpha-rooting methods on 2D QDFT

NASA Astrophysics Data System (ADS)

Grigoryan, Artyom M.; John, Aparna; Agaian, Sos S.

2017-03-01

2-D quaternion discrete Fourier transform (2-D QDFT) is the Fourier transform applied to color images when the color images are considered in the quaternion space. The quaternion numbers are four dimensional hyper-complex numbers. Quaternion representation of color image allows us to see the color of the image as a single unit. In quaternion approach of color image enhancement, each color is seen as a vector. This permits us to see the merging effect of the color due to the combination of the primary colors. The color images are used to be processed by applying the respective algorithm onto each channels separately, and then, composing the color image from the processed channels. In this article, the alpha-rooting and zonal alpha-rooting methods are used with the 2-D QDFT. In the alpha-rooting method, the alpha-root of the transformed frequency values of the 2-D QDFT are determined before taking the inverse transform. In the zonal alpha-rooting method, the frequency spectrum of the 2-D QDFT is divided by different zones and the alpha-rooting is applied with different alpha values for different zones. The optimization of the choice of alpha values is done with the genetic algorithm. The visual perception of 3-D medical images is increased by changing the reference gray line.

Isometries, gaugings and {N} = 2 supergravity decoupling

NASA Astrophysics Data System (ADS)

Antoniadis, Ignatios; Derendinger, Jean-Pierre; Petropoulos, P. Marios; Siampos, Konstantinos

2016-11-01

We study off-shell rigid limits for the kinetic and scalar-potential terms of a single {N} = 2 hypermultiplet. In the kinetic term, these rigid limits establish relations between four-dimensional quaternion-Kähler and hyper-Kähler target spaces with symmetry. The scalar potential is obtained by gauging the graviphoton along an isometry of the quaternion-Kähler space. The rigid limits unveil two distinct cases. A rigid {N} = 2 theory on Minkowski or on AdS4 spacetime, depending on whether the isometry is translational or rotational respectively. We apply these results to the quaternion-Kähler space with Heisenberg ⋉ U(1) isometry, which describes the universal hypermultiplet at type-II string one-loop.

Elliptic biquaternion algebra

NASA Astrophysics Data System (ADS)

Özen, Kahraman Esen; Tosun, Murat

2018-01-01

In this study, we define the elliptic biquaternions and construct the algebra of elliptic biquaternions over the elliptic number field. Also we give basic properties of elliptic biquaternions. An elliptic biquaternion is in the form A0 + A1i + A2j + A3k which is a linear combination of {1, i, j, k} where the four components A0, A1, A2 and A3 are elliptic numbers. Here, 1, i, j, k are the quaternion basis of the elliptic biquaternion algebra and satisfy the same multiplication rules which are satisfied in both real quaternion algebra and complex quaternion algebra. In addition, we discuss the terms; conjugate, inner product, semi-norm, modulus and inverse for elliptic biquaternions.

Adaptive convex combination approach for the identification of improper quaternion processes.

PubMed

Ujang, Bukhari Che; Jahanchahi, Cyrus; Took, Clive Cheong; Mandic, Danilo P

2014-01-01

Data-adaptive optimal modeling and identification of real-world vector sensor data is provided by combining the fractional tap-length (FT) approach with model order selection in the quaternion domain. To account rigorously for the generality of such processes, both second-order circular (proper) and noncircular (improper), the proposed approach in this paper combines the FT length optimization with both the strictly linear quaternion least mean square (QLMS) and widely linear QLMS (WL-QLMS). A collaborative approach based on QLMS and WL-QLMS is shown to both identify the type of processes (proper or improper) and to track their optimal parameters in real time. Analysis shows that monitoring the evolution of the convex mixing parameter within the collaborative approach allows us to track the improperness in real time. Further insight into the properties of those algorithms is provided by establishing a relationship between the steady-state error and optimal model order. The approach is supported by simulations on model order selection and identification of both strictly linear and widely linear quaternion-valued systems, such as those routinely used in renewable energy (wind) and human-centered computing (biomechanics).

Simulation and analyses of the aeroassist flight experiment attitude update method

NASA Technical Reports Server (NTRS)

Carpenter, J. R.

1991-01-01

A method which will be used to update the alignment of the Aeroassist Flight Experiment's Inertial Measuring Unit is simulated and analyzed. This method, the Star Line Maneuver, uses measurements from the Space Shuttle Orbiter star trackers along with an extended Kalman filter to estimate a correction to the attitude quaternion maintained by an Inertial Measuring Unit in the Orbiter's payload bay. This quaternion is corrupted by on-orbit bending of the Orbiter payload bay with respect to the Orbiter navigation base, which is incorporated into the payload quaternion when it is initialized via a direct transfer of the Orbiter attitude state. The method of updating this quaternion is examined through verification of baseline cases and Monte Carlo analysis using a simplified simulation, The simulation uses nominal state dynamics and measurement models from the Kalman filter as its real world models, and is programmed on Microvax minicomputer using Matlab, and interactive matrix analysis tool. Results are presented which confirm and augment previous performance studies, thereby enhancing confidence in the Star Line Maneuver design methodology.

Quaternion Based Thermal Condition Monitoring System

NASA Astrophysics Data System (ADS)

Wong, Wai Kit; Loo, Chu Kiong; Lim, Way Soong; Tan, Poi Ngee

In this paper, we will propose a new and effective machine condition monitoring system using log-polar mapper, quaternion based thermal image correlator and max-product fuzzy neural network classifier. Two classification characteristics namely: peak to sidelobe ratio (PSR) and real to complex ratio of the discrete quaternion correlation output (p-value) are applied in the proposed machine condition monitoring system. Large PSR and p-value observe in a good match among correlation of the input thermal image with a particular reference image, while small PSR and p-value observe in a bad/not match among correlation of the input thermal image with a particular reference image. In simulation, we also discover that log-polar mapping actually help solving rotation and scaling invariant problems in quaternion based thermal image correlation. Beside that, log-polar mapping can have a two fold of data compression capability. Log-polar mapping can help smoother up the output correlation plane too, hence makes a better measurement way for PSR and p-values. Simulation results also show that the proposed system is an efficient machine condition monitoring system with accuracy more than 98%.

New Langevin and gradient thermostats for rigid body dynamics.

PubMed

Davidchack, R L; Ouldridge, T E; Tretyakov, M V

2015-04-14

We introduce two new thermostats, one of Langevin type and one of gradient (Brownian) type, for rigid body dynamics. We formulate rotation using the quaternion representation of angular coordinates; both thermostats preserve the unit length of quaternions. The Langevin thermostat also ensures that the conjugate angular momenta stay within the tangent space of the quaternion coordinates, as required by the Hamiltonian dynamics of rigid bodies. We have constructed three geometric numerical integrators for the Langevin thermostat and one for the gradient thermostat. The numerical integrators reflect key properties of the thermostats themselves. Namely, they all preserve the unit length of quaternions, automatically, without the need of a projection onto the unit sphere. The Langevin integrators also ensure that the angular momenta remain within the tangent space of the quaternion coordinates. The Langevin integrators are quasi-symplectic and of weak order two. The numerical method for the gradient thermostat is of weak order one. Its construction exploits ideas of Lie-group type integrators for differential equations on manifolds. We numerically compare the discretization errors of the Langevin integrators, as well as the efficiency of the gradient integrator compared to the Langevin ones when used in the simulation of rigid TIP4P water model with smoothly truncated electrostatic interactions. We observe that the gradient integrator is computationally less efficient than the Langevin integrators. We also compare the relative accuracy of the Langevin integrators in evaluating various static quantities and give recommendations as to the choice of an appropriate integrator.

Keeping a Good Attitude: A Quaternion-Based Orientation Filter for IMUs and MARGs

PubMed Central

Valenti, Roberto G.; Dryanovski, Ivan; Xiao, Jizhong

2015-01-01

Orientation estimation using low cost sensors is an important task for Micro Aerial Vehicles (MAVs) in order to obtain a good feedback for the attitude controller. The challenges come from the low accuracy and noisy data of the MicroElectroMechanical System (MEMS) technology, which is the basis of modern, miniaturized inertial sensors. In this article, we describe a novel approach to obtain an estimation of the orientation in quaternion form from the observations of gravity and magnetic field. Our approach provides a quaternion estimation as the algebraic solution of a system from inertial/magnetic observations. We separate the problems of finding the “tilt” quaternion and the heading quaternion in two sub-parts of our system. This procedure is the key for avoiding the impact of the magnetic disturbances on the roll and pitch components of the orientation when the sensor is surrounded by unwanted magnetic flux. We demonstrate the validity of our method first analytically and then empirically using simulated data. We propose a novel complementary filter for MAVs that fuses together gyroscope data with accelerometer and magnetic field readings. The correction part of the filter is based on the method described above and works for both IMU (Inertial Measurement Unit) and MARG (Magnetic, Angular Rate, and Gravity) sensors. We evaluate the effectiveness of the filter and show that it significantly outperforms other common methods, using publicly available datasets with ground-truth data recorded during a real flight experiment of a micro quadrotor helicopter. PMID:26258778

Keeping a Good Attitude: A Quaternion-Based Orientation Filter for IMUs and MARGs.

PubMed

Valenti, Roberto G; Dryanovski, Ivan; Xiao, Jizhong

2015-08-06

Orientation estimation using low cost sensors is an important task for Micro Aerial Vehicles (MAVs) in order to obtain a good feedback for the attitude controller. The challenges come from the low accuracy and noisy data of the MicroElectroMechanical System (MEMS) technology, which is the basis of modern, miniaturized inertial sensors. In this article, we describe a novel approach to obtain an estimation of the orientation in quaternion form from the observations of gravity and magnetic field. Our approach provides a quaternion estimation as the algebraic solution of a system from inertial/magnetic observations. We separate the problems of finding the "tilt" quaternion and the heading quaternion in two sub-parts of our system. This procedure is the key for avoiding the impact of the magnetic disturbances on the roll and pitch components of the orientation when the sensor is surrounded by unwanted magnetic flux. We demonstrate the validity of our method first analytically and then empirically using simulated data. We propose a novel complementary filter for MAVs that fuses together gyroscope data with accelerometer and magnetic field readings. The correction part of the filter is based on the method described above and works for both IMU (Inertial Measurement Unit) and MARG (Magnetic, Angular Rate, and Gravity) sensors. We evaluate the effectiveness of the filter and show that it significantly outperforms other common methods, using publicly available datasets with ground-truth data recorded during a real flight experiment of a micro quadrotor helicopter.

Recombination of the steering vector of the triangle grid array in quaternions and the reduction of the MUSIC algorithm

NASA Astrophysics Data System (ADS)

Bai, Chen; Han, Dongjuan

2018-04-01

MUSIC is widely used on DOA estimation. Triangle grid is a common kind of the arrangement of array, but it is more complicated than rectangular array in calculation of steering vector. In this paper, the quaternions algorithm can reduce dimension of vector and make the calculation easier.

Quaternion normalization in additive EKF for spacecraft attitude determination

NASA Technical Reports Server (NTRS)

Bar-Itzhack, I. Y.; Deutschmann, J.; Markley, F. L.

1991-01-01

This work introduces, examines, and compares several quaternion normalization algorithms, which are shown to be an effective stage in the application of the additive extended Kalman filter (EKF) to spacecraft attitude determination, which is based on vector measurements. Two new normalization schemes are introduced. They are compared with one another and with the known brute force normalization scheme, and their efficiency is examined. Simulated satellite data are used to demonstrate the performance of all three schemes. A fourth scheme is suggested for future research. Although the schemes were tested for spacecraft attitude determination, the conclusions are general and hold for attitude determination of any three dimensional body when based on vector measurements, and use an additive EKF for estimation, and the quaternion for specifying the attitude.

Periodic-disturbance accommodating control of the space station for asymptotic momentum management

NASA Technical Reports Server (NTRS)

Warren, Wayne; Wie, Bong

1989-01-01

Periodic maneuvering control is developed for asymptotic momentum management of control gyros used as primary actuating devices for the Space Station. The proposed controller utilizes the concepts of quaternion feedback control and periodic-disturbance accommodation to achieve oscillations about the constant torque equilibrium attitude, while minimizing the control effort required. Three-axis coupled equations of motion, written in terms of quaternions, are derived for roll/yaw controller design and stability analysis. It is shown that the quaternion feedback controller is very robust for a wide range of pitch angles. It is also shown that the proposed controller tunes the open-loop unstable vehicle to a stable oscillatory motion which minimizes the control effort needed for steady-state operations.

Simultaneous processing of photographic and accelerator array data from sled impact experiment

NASA Astrophysics Data System (ADS)

Ash, M. E.

1982-12-01

A Quaternion-Kalman filter model is derived to simultaneously analyze accelerometer array and photographic data from sled impact experiments. Formulas are given for the quaternion representation of rotations, the propagation of dynamical states and their partial derivatives, the observables and their partial derivatives, and the Kalman filter update of the state given the observables. The observables are accelerometer and tachometer velocity data of the sled relative to the track, linear accelerometer array and photographic data of the subject relative to the sled, and ideal angular accelerometer data. The quaternion constraints enter through perfect constraint observations and normalization after a state update. Lateral and fore-aft impact tests are analyzed with FORTRAN IV software written using the formulas of this report.

Periodic-disturbance accommodating control of the space station for asymptotic momentum management

NASA Technical Reports Server (NTRS)

Warren, Wayne; Wie, Bong; Geller, David

1989-01-01

Periodic-disturbance accommodating control is investigated for asymptotic momentum management of control moment gyros used as primary actuating devices for the Space Station. The proposed controller utilizes the concepts of quaternion feedback control and periodic-disturbance accommodation to achieve oscillations about the constant torque equilibrium attitude, while minimizing the control effort required. Three-axis coupled equations of motion, written in terms of quaternions, are derived for roll/yaw controller design and stability analysis. The quaternion feedback controller designed using the linear-quadratic regulator synthesis technique is shown to be robust for a wide range of pitch angles. It is also shown that the proposed controller tunes the open-loop unstable vehicle to a stable oscillatory motion which minimizes the control effort needed for steady-state operations.

Nonassociativity, supersymmetry, and hidden variables

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

Dzhunushaliev, Vladimir

2008-04-15

It is shown that the supersymmetric quantum mechanics has an octonionic generalization. The generalization is based on the inclusion of quaternions into octonions. The elements from the coset octonions/quaternions are unobservables because they cannot be considered as quantum operators as a consequence of their nonassociative properties. The idea that the octonionic generalization of the supersymmetric quantum mechanics describes an observable particle formed with unobservable ''particles'' is presented.

The FKMM-invariant in low dimension

NASA Astrophysics Data System (ADS)

De Nittis, Giuseppe; Gomi, Kiyonori

2018-05-01

In this paper, we investigate the problem of the cohomological classification of "Quaternionic" vector bundles in low dimension (d≤slant 3). We show that there exists a characteristic class κ , called the FKMM-invariant, which takes value in the relative equivariant Borel cohomology and completely classifies "Quaternionic" vector bundles in low dimension. The main subject of the paper concerns a discussion about the surjectivity of κ.

Partial study of quadrotor based on quaternions

NASA Astrophysics Data System (ADS)

Ji, Xiang

2018-05-01

In this paper, the attitude calculation of quadrotor is studied, and the attitude angle of quaternions and the method of using IIR low pass filter to filter the high frequency noise are proposed. First of all, this paper puts forward the characteristics of quadrotor more flexible than other aircraft. The flexible steering mode of quadrotor is classified into three categories. Starting from reality, this paper proposes an algorithm to transform the value of acceleration sensor to pose angle, which can greatly reduce the amount of computation and is the theoretical basis for real-time attitude calculation of aircraft. When introducing the number of quaternion, this article starts from the theoretical model and first introduces the conceptual meaning of the number of quaternion. In this model, the aircraft's own coordinate axis and the geographical axis are regarded as two rigid bodies, and they have three coordinate axes that are orthogonal to each other. When the steering operation is involved, the corresponding acceleration is generated. By using the quaternion multiplicative formula mentioned in this paper, the change of attitude angle can be obtained. n reality, in order to ensure the accuracy of the output attitude angle. More accurate input variables are often needed, and the IIR low pass filter is introduced in this way. In this paper, a nine order IIR filter is designed according to the actual situation, and its spectrum characteristics are obtained by simulation software. After mixing the original signal generated by propeller's high frequency noise, it outputs clean signals through filter, all of which are intuitively reflected by three spectrum images. After giving some practical solutions, this paper looks forward to the prospect of the aircraft.

Stability Analysis of Continuous-Time and Discrete-Time Quaternion-Valued Neural Networks With Linear Threshold Neurons.

PubMed

Chen, Xiaofeng; Song, Qiankun; Li, Zhongshan; Zhao, Zhenjiang; Liu, Yurong

2018-07-01

This paper addresses the problem of stability for continuous-time and discrete-time quaternion-valued neural networks (QVNNs) with linear threshold neurons. Applying the semidiscretization technique to the continuous-time QVNNs, the discrete-time analogs are obtained, which preserve the dynamical characteristics of their continuous-time counterparts. Via the plural decomposition method of quaternion, homeomorphic mapping theorem, as well as Lyapunov theorem, some sufficient conditions on the existence, uniqueness, and global asymptotical stability of the equilibrium point are derived for the continuous-time QVNNs and their discrete-time analogs, respectively. Furthermore, a uniform sufficient condition on the existence, uniqueness, and global asymptotical stability of the equilibrium point is obtained for both continuous-time QVNNs and their discrete-time version. Finally, two numerical examples are provided to substantiate the effectiveness of the proposed results.

Attitude Determination Using a MEMS-Based Flight Information Measurement Unit

PubMed Central

Ma, Der-Ming; Shiau, Jaw-Kuen; Wang, I.-Chiang; Lin, Yu-Heng

2012-01-01

Obtaining precise attitude information is essential for aircraft navigation and control. This paper presents the results of the attitude determination using an in-house designed low-cost MEMS-based flight information measurement unit. This study proposes a quaternion-based extended Kalman filter to integrate the traditional quaternion and gravitational force decomposition methods for attitude determination algorithm. The proposed extended Kalman filter utilizes the evolution of the four elements in the quaternion method for attitude determination as the dynamic model, with the four elements as the states of the filter. The attitude angles obtained from the gravity computations and from the electronic magnetic sensors are regarded as the measurement of the filter. The immeasurable gravity accelerations are deduced from the outputs of the three axes accelerometers, the relative accelerations, and the accelerations due to body rotation. The constraint of the four elements of the quaternion method is treated as a perfect measurement and is integrated into the filter computation. Approximations of the time-varying noise variances of the measured signals are discussed and presented with details through Taylor series expansions. The algorithm is intuitive, easy to implement, and reliable for long-term high dynamic maneuvers. Moreover, a set of flight test data is utilized to demonstrate the success and practicality of the proposed algorithm and the filter design. PMID:22368455

Attitude determination using a MEMS-based flight information measurement unit.

PubMed

Ma, Der-Ming; Shiau, Jaw-Kuen; Wang, I-Chiang; Lin, Yu-Heng

2012-01-01

Obtaining precise attitude information is essential for aircraft navigation and control. This paper presents the results of the attitude determination using an in-house designed low-cost MEMS-based flight information measurement unit. This study proposes a quaternion-based extended Kalman filter to integrate the traditional quaternion and gravitational force decomposition methods for attitude determination algorithm. The proposed extended Kalman filter utilizes the evolution of the four elements in the quaternion method for attitude determination as the dynamic model, with the four elements as the states of the filter. The attitude angles obtained from the gravity computations and from the electronic magnetic sensors are regarded as the measurement of the filter. The immeasurable gravity accelerations are deduced from the outputs of the three axes accelerometers, the relative accelerations, and the accelerations due to body rotation. The constraint of the four elements of the quaternion method is treated as a perfect measurement and is integrated into the filter computation. Approximations of the time-varying noise variances of the measured signals are discussed and presented with details through Taylor series expansions. The algorithm is intuitive, easy to implement, and reliable for long-term high dynamic maneuvers. Moreover, a set of flight test data is utilized to demonstrate the success and practicality of the proposed algorithm and the filter design.

Multispectral Palmprint Recognition Using a Quaternion Matrix

PubMed Central

Xu, Xingpeng; Guo, Zhenhua; Song, Changjiang; Li, Yafeng

2012-01-01

Palmprints have been widely studied for biometric recognition for many years. Traditionally, a white light source is used for illumination. Recently, multispectral imaging has drawn attention because of its high recognition accuracy. Multispectral palmprint systems can provide more discriminant information under different illuminations in a short time, thus they can achieve better recognition accuracy. Previously, multispectral palmprint images were taken as a kind of multi-modal biometrics, and the fusion scheme on the image level or matching score level was used. However, some spectral information will be lost during image level or matching score level fusion. In this study, we propose a new method for multispectral images based on a quaternion model which could fully utilize the multispectral information. Firstly, multispectral palmprint images captured under red, green, blue and near-infrared (NIR) illuminations were represented by a quaternion matrix, then principal component analysis (PCA) and discrete wavelet transform (DWT) were applied respectively on the matrix to extract palmprint features. After that, Euclidean distance was used to measure the dissimilarity between different features. Finally, the sum of two distances and the nearest neighborhood classifier were employed for recognition decision. Experimental results showed that using the quaternion matrix can achieve a higher recognition rate. Given 3000 test samples from 500 palms, the recognition rate can be as high as 98.83%. PMID:22666049

Multispectral palmprint recognition using a quaternion matrix.

PubMed

Xu, Xingpeng; Guo, Zhenhua; Song, Changjiang; Li, Yafeng

2012-01-01

Palmprints have been widely studied for biometric recognition for many years. Traditionally, a white light source is used for illumination. Recently, multispectral imaging has drawn attention because of its high recognition accuracy. Multispectral palmprint systems can provide more discriminant information under different illuminations in a short time, thus they can achieve better recognition accuracy. Previously, multispectral palmprint images were taken as a kind of multi-modal biometrics, and the fusion scheme on the image level or matching score level was used. However, some spectral information will be lost during image level or matching score level fusion. In this study, we propose a new method for multispectral images based on a quaternion model which could fully utilize the multispectral information. Firstly, multispectral palmprint images captured under red, green, blue and near-infrared (NIR) illuminations were represented by a quaternion matrix, then principal component analysis (PCA) and discrete wavelet transform (DWT) were applied respectively on the matrix to extract palmprint features. After that, Euclidean distance was used to measure the dissimilarity between different features. Finally, the sum of two distances and the nearest neighborhood classifier were employed for recognition decision. Experimental results showed that using the quaternion matrix can achieve a higher recognition rate. Given 3000 test samples from 500 palms, the recognition rate can be as high as 98.83%.

Derivation of three closed loop kinematic velocity models using normalized quaternion feedback for an autonomous redundant manipulator with application to inverse kinematics

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

Unseren, M.A.

1993-04-01

The report discusses the orientation tracking control problem for a kinematically redundant, autonomous manipulator moving in a three dimensional workspace. The orientation error is derived using the normalized quaternion error method of Ickes, the Luh, Walker, and Paul error method, and a method suggested here utilizing the Rodrigues parameters, all of which are expressed in terms of normalized quaternions. The analytical time derivatives of the orientation errors are determined. The latter, along with the translational velocity error, form a dosed loop kinematic velocity model of the manipulator using normalized quaternion and translational position feedback. An analysis of the singularities associatedmore » with expressing the models in a form suitable for solving the inverse kinematics problem is given. Two redundancy resolution algorithms originally developed using an open loop kinematic velocity model of the manipulator are extended to properly take into account the orientation tracking control problem. This report furnishes the necessary mathematical framework required prior to experimental implementation of the orientation tracking control schemes on the seven axis CESARm research manipulator or on the seven-axis Robotics Research K1207i dexterous manipulator, the latter of which is to be delivered to the Oak Ridge National Laboratory in 1993.« less

Proceedings of the 1997 Space Control Conference, Volume 2

DTIC Science & Technology

1997-03-27

of attitude information are used in our orbit determination. The attitude history buffer on MSX holds quaternions and time tags at 100-second...being able to use the attitude quaternions , DYNAMO can also compute the park-mode attitude of MSX if, for example, some of the raw on-board attitude ... used to aid the target discrimination process. THE MSX SPACECRAFT The SBV sensor was launched on the BMDO supported MSX spacecraft on 24 April

The Design of an Adaptive Attitude Control System

DTIC Science & Technology

1992-09-01

spacecraft to reorient itself by rotating about the eigenaxis will be executing an optimal maneuver . [Ref. 9: pp. 375-3761 2. Quaternion Feedback Regulator...34% The below program will simulate the CER Control System for Large "% Angle (Slewing) Motion. The Control Law is a Quaternion Feedback "% Regulator...Equipment/Retriever (CER) during autonomous attitude hold and large angle or slewing maneuvers . The CER is a proposed space robot that deploys from

Venus radar mapper attitude reference quaternion

NASA Technical Reports Server (NTRS)

Lyons, D. T.

1986-01-01

Polynomial functions of time are used to specify the components of the quaternion which represents the nominal attitude of the Venus Radar mapper spacecraft during mapping. The following constraints must be satisfied in order to obtain acceptable synthetic array radar data: the nominal attitude function must have a large dynamic range, the sensor orientation must be known very accurately, the attitude reference function must use as little memory as possible, and the spacecraft must operate autonomously. Fitting polynomials to the components of the desired quaternion function is a straightforward method for providing a very dynamic nominal attitude using a minimum amount of on-board computer resources. Although the attitude from the polynomials may not be exactly the one requested by the radar designers, the polynomial coefficients are known, so they do not contribute to the attitude uncertainty. Frequent coefficient updates are not required, so the spacecraft can operate autonomously.

A Unified Methodology for Computing Accurate Quaternion Color Moments and Moment Invariants.

PubMed

Karakasis, Evangelos G; Papakostas, George A; Koulouriotis, Dimitrios E; Tourassis, Vassilios D

2014-02-01

In this paper, a general framework for computing accurate quaternion color moments and their corresponding invariants is proposed. The proposed unified scheme arose by studying the characteristics of different orthogonal polynomials. These polynomials are used as kernels in order to form moments, the invariants of which can easily be derived. The resulted scheme permits the usage of any polynomial-like kernel in a unified and consistent way. The resulted moments and moment invariants demonstrate robustness to noisy conditions and high discriminative power. Additionally, in the case of continuous moments, accurate computations take place to avoid approximation errors. Based on this general methodology, the quaternion Tchebichef, Krawtchouk, Dual Hahn, Legendre, orthogonal Fourier-Mellin, pseudo Zernike and Zernike color moments, and their corresponding invariants are introduced. A selected paradigm presents the reconstruction capability of each moment family, whereas proper classification scenarios evaluate the performance of color moment invariants.

Filtering Methods for Error Reduction in Spacecraft Attitude Estimation Using Quaternion Star Trackers

NASA Technical Reports Server (NTRS)

Calhoun, Philip C.; Sedlak, Joseph E.; Superfin, Emil

2011-01-01

Precision attitude determination for recent and planned space missions typically includes quaternion star trackers (ST) and a three-axis inertial reference unit (IRU). Sensor selection is based on estimates of knowledge accuracy attainable from a Kalman filter (KF), which provides the optimal solution for the case of linear dynamics with measurement and process errors characterized by random Gaussian noise with white spectrum. Non-Gaussian systematic errors in quaternion STs are often quite large and have an unpredictable time-varying nature, particularly when used in non-inertial pointing applications. Two filtering methods are proposed to reduce the attitude estimation error resulting from ST systematic errors, 1) extended Kalman filter (EKF) augmented with Markov states, 2) Unscented Kalman filter (UKF) with a periodic measurement model. Realistic assessments of the attitude estimation performance gains are demonstrated with both simulation and flight telemetry data from the Lunar Reconnaissance Orbiter.

Dirac’s magnetic monopole and the Kontsevich star product

NASA Astrophysics Data System (ADS)

Soloviev, M. A.

2018-03-01

We examine relationships between various quantization schemes for an electrically charged particle in the field of a magnetic monopole. Quantization maps are defined in invariant geometrical terms, appropriate to the case of nontrivial topology, and are constructed for two operator representations. In the first setting, the quantum operators act on the Hilbert space of sections of a nontrivial complex line bundle associated with the Hopf bundle, whereas the second approach uses instead a quaternionic Hilbert module of sections of a trivial quaternionic line bundle. We show that these two quantizations are naturally related by a bundle morphism and, as a consequence, induce the same phase-space star product. We obtain explicit expressions for the integral kernels of star-products corresponding to various operator orderings and calculate their asymptotic expansions up to the third order in the Planck constant \\hbar . We also show that the differential form of the magnetic Weyl product corresponding to the symmetric ordering agrees completely with the Kontsevich formula for deformation quantization of Poisson structures and can be represented by Kontsevich’s graphs.

Quaternion normalization in additive EKF for spacecraft attitude determination. [Extended Kalman Filters

NASA Technical Reports Server (NTRS)

Bar-Itzhack, I. Y.; Deutschmann, J.; Markley, F. L.

1991-01-01

This work introduces, examines and compares several quaternion normalization algorithms, which are shown to be an effective stage in the application of the additive extended Kalman filter to spacecraft attitude determination, which is based on vector measurements. Three new normalization schemes are introduced. They are compared with one another and with the known brute force normalization scheme, and their efficiency is examined. Simulated satellite data are used to demonstate the performance of all four schemes.

Three-axis stabilization of spacecraft using parameter-independent nonlinear quaternion feedback

NASA Technical Reports Server (NTRS)

Joshi, Suresh M.; Kelkar, Atul G.

1994-01-01

This paper considers the problem of rigid spacecraft. A nonlinear control law which uses the feedback of the unit quaternion and the measured angular velocities is proposed and is shown to provide global asymptotic stability. The control law does not require the knowledge of the system parameters, and is therefore robust to modeling errors. The significance of the control law is that it can be used for large-angle maneuvers with guaranteed stability.

Adaptive Nonlinear Tracking Control of Kinematically Redundant Robot Manipulators with Sub-Task Extensions

DTIC Science & Technology

2005-01-01

C. Hughes, Spacecraft Attitude Dynamics, New York, NY: Wiley, 1994. [8] H. K. Khalil, “Adaptive Output Feedback Control of Non- linear Systems...Closed-Loop Manipulator Control Using Quaternion Feedback ”, IEEE Trans. Robotics and Automation, Vol. 4, No. 4, pp. 434-440, (1988). [23] E...full-state feedback quaternion based controller de- veloped in [5] and focuses on the design of a general sub-task controller. This sub-task controller

Acquisition, Tracking, Pointing, and Line-of-Sight Control Laboratory Experiments for a Space-Based Bifocal Relay Mirror

DTIC Science & Technology

2002-01-01

fixed coordinate frame. The spacecraft is subjected to large angle maneuvers ; therefore, a quaternion formulation is used. The spacecraft uses rate...steering mirrors (small inertia). The wheel control laws are based on quaternion error and angular velocity error feedback . The derivation of the...Agrawal, M. Romano Spacecraft Research and Design Center Naval Postgraduate School Monterey, CA 93943 R. L. Brunson**, J. D. Dillow, D. H. Nelson, J. J

Angular-Rate Estimation using Star Tracker Measurements

NASA Technical Reports Server (NTRS)

Azor, R.; Bar-Itzhack, Itzhack Y.; Deutschmann, Julie K.; Harman, Richard R.

1999-01-01

This paper presents algorithms for estimating the angular-rate vector of satellites using quaternion measurements. Two approaches are compared, one that uses differentiated quaternion measurements to yield coarse rate measurements which are then fed into two different estimators. In the other approach the raw quaternion measurements themselves are fed directly into the two estimators. The two estimators rely on the ability to decompose the non-linear rate dependent part of the rotational dynamics equation of a rigid body into a product of an angular-rate dependent matrix and the angular-rate vector itself. This decomposition, which is not unique, enables the treatment of the nonlinear spacecraft dynamics model as a linear one and, consequently, the application of a Pseudo-Linear Kalman Filter (PSELIKA). It also enables the application of a special Kalman filter which is based on the use of the solution of the State Dependent Algebraic Riccati Equation (SDARE) in order to compute the Kalman gain matrix and thus eliminates the need to propagate and update the filter covariance matrix. The replacement of the elaborate rotational dynamics by a simple first order Markov model is also examined. In this paper a special consideration is given to the problem of delayed quaternion measurements. Two solutions to this problem are suggested and tested. Real Rossi X-Ray Timing Explorer (RXTE) data is used to test these algorithms, and results of these tests are presented.

Carcinogenesis: alterations in reciprocal interactions of normal functional structure of biologic systems.

PubMed

Davydyan, Garri

2015-12-01

The evolution of biologic systems (BS) includes functional mechanisms that in some conditions may lead to the development of cancer. Using mathematical group theory and matrix analysis, previously, it was shown that normally functioning BS are steady functional structures regulated by three basis regulatory components: reciprocal links (RL), negative feedback (NFB) and positive feedback (PFB). Together, they form an integrative unit maintaining system's autonomy and functional stability. It is proposed that phylogenetic development of different species is implemented by the splitting of "rudimentary" characters into two relatively independent functional parts that become encoded in chromosomes. The functional correlate of splitting mechanisms is RL. Inversion of phylogenetic mechanisms during ontogenetic development leads cell differentiation until cells reach mature states. Deterioration of reciprocal structure in the genome during ontogenesis gives rise of pathological conditions characterized by unsteadiness of the system. Uncontrollable cell proliferation and invasive cell growth are the leading features of the functional outcomes of malfunctioning systems. The regulatory element responsible for these changes is RL. In matrix language, pathological regulation is represented by matrices having positive values of diagonal elements ( TrA  > 0) and also positive values of matrix determinant ( detA  > 0). Regulatory structures of that kind can be obtained if the negative entry of the matrix corresponding to RL is replaced with the positive one. To describe not only normal but also pathological states of BS, a unit matrix should be added to the basis matrices representing RL, NFB and PFB. A mathematical structure corresponding to the set of these four basis functional patterns (matrices) is a split quaternion (coquaternion). The structure and specific role of basis elements comprising four-dimensional linear space of split quaternions help to understand what changes in mechanism of cell differentiation may lead to cancer development.

Full quaternion based finite-time cascade attitude control approach via pulse modulation synthesis for a spacecraft.

PubMed

Mazinan, A H; Pasand, M; Soltani, B

2015-09-01

In the aspect of further development of investigations in the area of spacecraft modeling and analysis of the control scheme, a new hybrid finite-time robust three-axis cascade attitude control approach is proposed via pulse modulation synthesis. The full quaternion based control approach proposed here is organized in association with both the inner and the outer closed loops. It is shown that the inner closed loop, which consists of the sliding mode finite-time control approach, the pulse width pulse frequency modulator, the control allocation and finally the dynamics of the spacecraft is realized to track the three-axis referenced commands of the angular velocities. The pulse width pulse frequency modulators are in fact employed in the inner closed loop to accommodate the control signals to a number of on-off thrusters, while the control allocation algorithm provides the commanded firing times for the reaction control thrusters in the overactuated spacecraft. Hereinafter, the outer closed loop, which consists of the proportional linear control approach and the kinematics of the spacecraft is correspondingly designed to deal with the attitude angles that are presented by quaternion vector. It should be noted that the main motivation of the present research is to realize a hybrid control method by using linear and nonlinear terms and to provide a reliable and robust control structure, which is able to track time varying three-axis referenced commands. Subsequently, a stability analysis is presented to verify the performance of the overall proposed cascade attitude control approach. To prove the effectiveness of the presented approach, a thorough investigation is presented compared to a number of recent corresponding benchmarks. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Unsupervised malaria parasite detection based on phase spectrum.

PubMed

Fang, Yuming; Xiong, Wei; Lin, Weisi; Chen, Zhenzhong

2011-01-01

In this paper, we propose a novel method for malaria parasite detection based on phase spectrum. The method first obtains the amplitude spectrum and phase spectrum for blood smear images through Quaternion Fourier Transform (QFT). Then it gets the reconstructed image based on Inverse Quaternion Fourier transform (IQFT) on a constant amplitude spectrum and the original phase spectrum. The malaria parasite areas can be detected easily from the reconstructed blood smear images. Extensive experiments have demonstrated the effectiveness of this novel method.

Quaternion normalization in spacecraft attitude determination

NASA Technical Reports Server (NTRS)

Deutschmann, Julie; Bar-Itzhack, Itzhack; Galal, Ken

1992-01-01

Methods are presented to normalize the attitude quaternion in two extended Kalman filters (EKF), namely, the multiplicative EKF (MEKF) and the additive EKF (AEKF). It is concluded that all the normalization methods work well and yield comparable results. In the AEKF, normalization is not essential, since the data chosen for the test do not have a rapidly varying attitude. In the MEKF, normalization is necessary to avoid divergence of the attitude estimate. All of the methods of the methods behave similarly when the spacecraft experiences low angular rates.

Construction of optimum controls and trajectories of motion of the center of masses of a spacecraft equipped with the solar sail and low-thrust engine, using quaternions and Kustaanheimo-Stiefel variables

NASA Astrophysics Data System (ADS)

Sapunkov, Ya. G.; Chelnokov, Yu. N.

2014-11-01

The problem of optimum rendezvous of a controllable spacecraft (SC) with an uncontrollable spacecraft, moving over a Keplerian elliptic orbit in the gravitational field of the Sun, is considered. Control of the SC is performed using a solar sail and low-thrust engine. For solving the problem, the regular quaternion equations of the two-body problem with the Kustaanheimo-Stiefel variables and the Pontryagin maximum principle are used. The combined integral quality functional, which characterizes energy consumption for controllable SC transition from an initial to final state and the time spent for this transition, is used as a minimized functional. The differential boundary-value optimization problems are formulated, and their first integrals are found. Examples of numerical solution of problems are presented. The paper develops the application [1-6] of quaternion regular equations with the Kustaanheimo-Stiefel variables in the space flight mechanics.

Explicit resolutions for the complex of several Fueter operators

NASA Astrophysics Data System (ADS)

Bureš, Jarolim; Damiano, Alberto; Sabadini, Irene

2007-02-01

An analogue of the Dolbeault complex is introduced for regular functions of several quaternionic variables and studied by means of two different methods. The first one comes from algebraic analysis (for a thorough treatment see the book [F. Colombo, I. Sabadini, F. Sommen, D.C. Struppa, Analysis of Dirac systems and computational algebra, Progress in Mathematical Physics, Vol. 39, Birkhäuser, Boston, 2004]), while the other one relies on the symmetry of the equations and the methods of representation theory (see [F. Colombo, V. Souček, D.C. Struppa, Invariant resolutions for several Fueter operators, J. Geom. Phys. 56 (2006) 1175-1191; R.J. Baston, Quaternionic Complexes, J. Geom. Phys. 8 (1992) 29-52]). The comparison of the two results allows one to describe the operators appearing in the complex in an explicit form. This description leads to a duality theorem which is the generalization of the classical Martineau-Harvey theorem and which is related to hyperfunctions of several quaternionic variables.

Computational aspects of the continuum quaternionic wave functions for hydrogen

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

Morais, J., E-mail: joao.pedro.morais@ua.pt

Over the past few years considerable attention has been given to the role played by the Hydrogen Continuum Wave Functions (HCWFs) in quantum theory. The HCWFs arise via the method of separation of variables for the time-independent Schrödinger equation in spherical coordinates. The HCWFs are composed of products of a radial part involving associated Laguerre polynomials multiplied by exponential factors and an angular part that is the spherical harmonics. In the present paper we introduce the continuum wave functions for hydrogen within quaternionic analysis ((R)QHCWFs), a result which is not available in the existing literature. In particular, the underlying functionsmore » are of three real variables and take on either values in the reduced and full quaternions (identified, respectively, with R{sup 3} and R{sup 4}). We prove that the (R)QHCWFs are orthonormal to one another. The representation of these functions in terms of the HCWFs are explicitly given, from which several recurrence formulae for fast computer implementations can be derived. A summary of fundamental properties and further computation of the hydrogen-like atom transforms of the (R)QHCWFs are also discussed. We address all the above and explore some basic facts of the arising quaternionic function theory. As an application, we provide the reader with plot simulations that demonstrate the effectiveness of our approach. (R)QHCWFs are new in the literature and have some consequences that are now under investigation.« less

Modularity, quaternion-Kähler spaces, and mirror symmetry

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

Alexandrov, Sergei; Banerjee, Sibasish

2013-10-15

We provide an explicit twistorial construction of quaternion-Kähler manifolds obtained by deformation of c-map spaces and carrying an isometric action of the modular group SL(2,Z). The deformation is not assumed to preserve any continuous isometry and therefore this construction presents a general framework for describing NS5-brane instanton effects in string compactifications with N= 2 supersymmetry. In this context the modular invariant parametrization of twistor lines found in this work yields the complete non-perturbative mirror map between type IIA and type IIB physical fields.

A new proof of the generalized Hamiltonian–Real calculus

PubMed Central

Gao, Hua; Mandic, Danilo P.

2016-01-01

The recently introduced generalized Hamiltonian–Real (GHR) calculus comprises, for the first time, the product and chain rules that makes it a powerful tool for quaternion-based optimization and adaptive signal processing. In this paper, we introduce novel dual relationships between the GHR calculus and multivariate real calculus, in order to provide a new, simpler proof of the GHR derivative rules. This further reinforces the theoretical foundation of the GHR calculus and provides a convenient methodology for generic extensions of real- and complex-valued learning algorithms to the quaternion domain.

Model-based extended quaternion Kalman filter to inertial orientation tracking of arbitrary kinematic chains.

PubMed

Szczęsna, Agnieszka; Pruszowski, Przemysław

2016-01-01

Inertial orientation tracking is still an area of active research, especially in the context of out-door, real-time, human motion capture. Existing systems either propose loosely coupled tracking approaches where each segment is considered independently, taking the resulting drawbacks into account, or tightly coupled solutions that are limited to a fixed chain with few segments. Such solutions have no flexibility to change the skeleton structure, are dedicated to a specific set of joints, and have high computational complexity. This paper describes the proposal of a new model-based extended quaternion Kalman filter that allows for estimation of orientation based on outputs from the inertial measurements unit sensors. The filter considers interdependencies resulting from the construction of the kinematic chain so that the orientation estimation is more accurate. The proposed solution is a universal filter that does not predetermine the degree of freedom at the connections between segments of the model. To validation the motion of 3-segments single link pendulum captured by optical motion capture system is used. The next step in the research will be to use this method for inertial motion capture with a human skeleton model.

On the dualization of scalars into ( d - 2)-forms in supergravity. Momentum maps, R-symmetry and gauged supergravity

NASA Astrophysics Data System (ADS)

Bandos, Igor A.; Ortín, Tomás

2016-08-01

We review and investigate different aspects of scalar fields in supergravity theories both when they parametrize symmetric spaces and when they parametrize spaces of special holonomy which are not necessarily symmetric (Kähler and Quaternionic-Kähler spaces): their rôle in the definition of derivatives of the fermions covariant under the R-symmetry group and (in gauged supergravities) under some gauge group, their dualization into ( d - 2)-forms, their role in the supersymmetry transformation rules (via fermion shifts, for instance) etc. We find a general definition of momentum map that applies to any manifold admitting a Killing vector and coincides with those of the holomorphic and tri-holomorphic momentum maps in Kähler and quaternionic-Kähler spaces and with an independent definition that can be given in symmetric spaces. We show how the momen-tum map occurs ubiquitously: in gauge-covariant derivatives of fermions, in fermion shifts, in the supersymmetry transformation rules of ( d - 2)-forms etc. We also give the general structure of the Noether-Gaillard-Zumino conserved currents in theories with fields of different ranks in any dimension.

Quaternion-Based Unscented Kalman Filter for Accurate Indoor Heading Estimation Using Wearable Multi-Sensor System

PubMed Central

Yuan, Xuebing; Yu, Shuai; Zhang, Shengzhi; Wang, Guoping; Liu, Sheng

2015-01-01

Inertial navigation based on micro-electromechanical system (MEMS) inertial measurement units (IMUs) has attracted numerous researchers due to its high reliability and independence. The heading estimation, as one of the most important parts of inertial navigation, has been a research focus in this field. Heading estimation using magnetometers is perturbed by magnetic disturbances, such as indoor concrete structures and electronic equipment. The MEMS gyroscope is also used for heading estimation. However, the accuracy of gyroscope is unreliable with time. In this paper, a wearable multi-sensor system has been designed to obtain the high-accuracy indoor heading estimation, according to a quaternion-based unscented Kalman filter (UKF) algorithm. The proposed multi-sensor system including one three-axis accelerometer, three single-axis gyroscopes, one three-axis magnetometer and one microprocessor minimizes the size and cost. The wearable multi-sensor system was fixed on waist of pedestrian and the quadrotor unmanned aerial vehicle (UAV) for heading estimation experiments in our college building. The results show that the mean heading estimation errors are less 10° and 5° to multi-sensor system fixed on waist of pedestrian and the quadrotor UAV, respectively, compared to the reference path. PMID:25961384

Quaternion Regularization of the Equations of the Perturbed Spatial Restricted Three-Body Problem: I

NASA Astrophysics Data System (ADS)

Chelnokov, Yu. N.

2017-11-01

We develop a quaternion method for regularizing the differential equations of the perturbed spatial restricted three-body problem by using the Kustaanheimo-Stiefel variables, which is methodologically closely related to the quaternion method for regularizing the differential equations of perturbed spatial two-body problem, which was proposed by the author of the present paper. A survey of papers related to the regularization of the differential equations of the two- and threebody problems is given. The original Newtonian equations of perturbed spatial restricted three-body problem are considered, and the problem of their regularization is posed; the energy relations and the differential equations describing the variations in the energies of the system in the perturbed spatial restricted three-body problem are given, as well as the first integrals of the differential equations of the unperturbed spatial restricted circular three-body problem (Jacobi integrals); the equations of perturbed spatial restricted three-body problem written in terms of rotating coordinate systems whose angular motion is described by the rotation quaternions (Euler (Rodrigues-Hamilton) parameters) are considered; and the differential equations for angular momenta in the restricted three-body problem are given. Local regular quaternion differential equations of perturbed spatial restricted three-body problem in the Kustaanheimo-Stiefel variables, i.e., equations regular in a neighborhood of the first and second body of finite mass, are obtained. The equations are systems of nonlinear nonstationary eleventhorder differential equations. These equations employ, as additional dependent variables, the energy characteristics of motion of the body under study (a body of a negligibly small mass) and the time whose derivative with respect to a new independent variable is equal to the distance from the body of negligibly small mass to the first or second body of finite mass. The equations obtained in the paper permit developing regular methods for determining solutions, in analytical or numerical form, of problems difficult for classicalmethods, such as the motion of a body of negligibly small mass in a neighborhood of the other two bodies of finite masses.

Multiple template-based image matching using alpha-rooted quaternion phase correlation

NASA Astrophysics Data System (ADS)

DelMarco, Stephen

2010-04-01

In computer vision applications, image matching performed on quality-degraded imagery is difficult due to image content distortion and noise effects. State-of-the art keypoint based matchers, such as SURF and SIFT, work very well on clean imagery. However, performance can degrade significantly in the presence of high noise and clutter levels. Noise and clutter cause the formation of false features which can degrade recognition performance. To address this problem, previously we developed an extension to the classical amplitude and phase correlation forms, which provides improved robustness and tolerance to image geometric misalignments and noise. This extension, called Alpha-Rooted Phase Correlation (ARPC), combines Fourier domain-based alpha-rooting enhancement with classical phase correlation. ARPC provides tunable parameters to control the alpha-rooting enhancement. These parameter values can be optimized to tradeoff between high narrow correlation peaks, and more robust wider, but smaller peaks. Previously, we applied ARPC in the radon transform domain for logo image recognition in the presence of rotational image misalignments. In this paper, we extend ARPC to incorporate quaternion Fourier transforms, thereby creating Alpha-Rooted Quaternion Phase Correlation (ARQPC). We apply ARQPC to the logo image recognition problem. We use ARQPC to perform multiple-reference logo template matching by representing multiple same-class reference templates as quaternion-valued images. We generate recognition performance results on publicly-available logo imagery, and compare recognition results to results generated from standard approaches. We show that small deviations in reference templates of sameclass logos can lead to improved recognition performance using the joint matching inherent in ARQPC.

On the Hodge-type decomposition and cohomology groups of k-Cauchy-Fueter complexes over domains in the quaternionic space

NASA Astrophysics Data System (ADS)

Chang, Der-Chen; Markina, Irina; Wang, Wei

2016-09-01

The k-Cauchy-Fueter operator D0(k) on one dimensional quaternionic space H is the Euclidean version of spin k / 2 massless field operator on the Minkowski space in physics. The k-Cauchy-Fueter equation for k ≥ 2 is overdetermined and its compatibility condition is given by the k-Cauchy-Fueter complex. In quaternionic analysis, these complexes play the role of Dolbeault complex in several complex variables. We prove that a natural boundary value problem associated to this complex is regular. Then by using the theory of regular boundary value problems, we show the Hodge-type orthogonal decomposition, and the fact that the non-homogeneous k-Cauchy-Fueter equation D0(k) u = f on a smooth domain Ω in H is solvable if and only if f satisfies the compatibility condition and is orthogonal to the set ℋ(k)1 (Ω) of Hodge-type elements. This set is isomorphic to the first cohomology group of the k-Cauchy-Fueter complex over Ω, which is finite dimensional, while the second cohomology group is always trivial.

Four-qubit systems and dyonic black Hole-Black branes in superstring theory

NASA Astrophysics Data System (ADS)

Belhaj, A.; Bensed, M.; Benslimane, Z.; Sedra, M. B.; Segui, A.

Using dyonic solutions in the type IIA superstring theory on Calabi-Yau (CY) manifolds, we reconsider the study of black objects and quantum information theory using string/string duality in six dimensions. Concretely, we relate four-qubits with a stringy quaternionic moduli space of type IIA compactification associated with a dyonic black solution formed by black holes (BHs) and black 2-branes (B2B) carrying eight electric charges and eight magnetic charges. This connection is made by associating the cohomology classes of the heterotic superstring on T4 to four-qubit states. These states are interpreted in terms of such dyonic charges resulting from the quaternionic symmetric space SO(4,4) SO(4)×SO(4) corresponding to a N = 4 sigma model superpotential in two dimensions. The superpotential is considered as a functional depending on four quaternionic fields mapped to a class of Clifford algebras denoted as Cl0,4. A link between such an algebra and the cohomology classes of T4 in heterotic superstring theory is also given.

Global Mittag-Leffler stability and synchronization analysis of fractional-order quaternion-valued neural networks with linear threshold neurons.

PubMed

Yang, Xujun; Li, Chuandong; Song, Qiankun; Chen, Jiyang; Huang, Junjian

2018-05-04

This paper talks about the stability and synchronization problems of fractional-order quaternion-valued neural networks (FQVNNs) with linear threshold neurons. On account of the non-commutativity of quaternion multiplication resulting from Hamilton rules, the FQVNN models are separated into four real-valued neural network (RVNN) models. Consequently, the dynamic analysis of FQVNNs can be realized by investigating the real-valued ones. Based on the method of M-matrix, the existence and uniqueness of the equilibrium point of the FQVNNs are obtained without detailed proof. Afterwards, several sufficient criteria ensuring the global Mittag-Leffler stability for the unique equilibrium point of the FQVNNs are derived by applying the Lyapunov direct method, the theory of fractional differential equation, the theory of matrix eigenvalue, and some inequality techniques. In the meanwhile, global Mittag-Leffler synchronization for the drive-response models of the addressed FQVNNs are investigated explicitly. Finally, simulation examples are designed to verify the feasibility and availability of the theoretical results. Copyright © 2018 Elsevier Ltd. All rights reserved.

Learning to predict where human gaze is using quaternion DCT based regional saliency detection

NASA Astrophysics Data System (ADS)

Li, Ting; Xu, Yi; Zhang, Chongyang

2014-09-01

Many current visual attention approaches used semantic features to accurately capture human gaze. However, these approaches demand high computational cost and can hardly be applied to daily use. Recently, some quaternion-based saliency detection models, such as PQFT (phase spectrum of Quaternion Fourier Transform), QDCT (Quaternion Discrete Cosine Transform), have been proposed to meet real-time requirement of human gaze tracking tasks. However, current saliency detection methods used global PQFT and QDCT to locate jump edges of the input, which can hardly detect the object boundaries accurately. To address the problem, we improved QDCT-based saliency detection model by introducing superpixel-wised regional saliency detection mechanism. The local smoothness of saliency value distribution is emphasized to distinguish noises of background from salient regions. Our algorithm called saliency confidence can distinguish the patches belonging to the salient object and those of the background. It decides whether the image patches belong to the same region. When an image patch belongs to a region consisting of other salient patches, this patch should be salient as well. Therefore, we use saliency confidence map to get background weight and foreground weight to do the optimization on saliency map obtained by QDCT. The optimization is accomplished by least square method. The optimization approach we proposed unifies local and global saliency by combination of QDCT and measuring the similarity between each image superpixel. We evaluate our model on four commonly-used datasets (Toronto, MIT, OSIE and ASD) using standard precision-recall curves (PR curves), the mean absolute error (MAE) and area under curve (AUC) measures. In comparison with most state-of-art models, our approach can achieve higher consistency with human perception without training. It can get accurate human gaze even in cluttered background. Furthermore, it achieves better compromise between speed and accuracy.

A Computer-Aided Diagnosis System for Measuring Carotid Artery Intima-Media Thickness (IMT) Using Quaternion Vectors.

PubMed

Kutbay, Uğurhan; Hardalaç, Fırat; Akbulut, Mehmet; Akaslan, Ünsal; Serhatlıoğlu, Selami

2016-06-01

This study aims investigating adjustable distant fuzzy c-means segmentation on carotid Doppler images, as well as quaternion-based convolution filters and saliency mapping procedures. We developed imaging software that will simplify the measurement of carotid artery intima-media thickness (IMT) on saliency mapping images. Additionally, specialists evaluated the present images and compared them with saliency mapping images. In the present research, we conducted imaging studies of 25 carotid Doppler images obtained by the Department of Cardiology at Fırat University. After implementing fuzzy c-means segmentation and quaternion-based convolution on all Doppler images, we obtained a model that can be analyzed easily by the doctors using a bottom-up saliency model. These methods were applied to 25 carotid Doppler images and then interpreted by specialists. In the present study, we used color-filtering methods to obtain carotid color images. Saliency mapping was performed on the obtained images, and the carotid artery IMT was detected and interpreted on the obtained images from both methods and the raw images are shown in Results. Also these results were investigated by using Mean Square Error (MSE) for the raw IMT images and the method which gives the best performance is the Quaternion Based Saliency Mapping (QBSM). 0,0014 and 0,000191 mm(2) MSEs were obtained for artery lumen diameters and plaque diameters in carotid arteries respectively. We found that computer-based image processing methods used on carotid Doppler could aid doctors' in their decision-making process. We developed software that could ease the process of measuring carotid IMT for cardiologists and help them to evaluate their findings.

AN ADA LINEAR ALGEBRA PACKAGE MODELED AFTER HAL/S

NASA Technical Reports Server (NTRS)

Klumpp, A. R.

1994-01-01

This package extends the Ada programming language to include linear algebra capabilities similar to those of the HAL/S programming language. The package is designed for avionics applications such as Space Station flight software. In addition to the HAL/S built-in functions, the package incorporates the quaternion functions used in the Shuttle and Galileo projects, and routines from LINPAK that solve systems of equations involving general square matrices. Language conventions in this package follow those of HAL/S to the maximum extent practical and minimize the effort required for writing new avionics software and translating existent software into Ada. Valid numeric types in this package include scalar, vector, matrix, and quaternion declarations. (Quaternions are fourcomponent vectors used in representing motion between two coordinate frames). Single precision and double precision floating point arithmetic is available in addition to the standard double precision integer manipulation. Infix operators are used instead of function calls to define dot products, cross products, quaternion products, and mixed scalar-vector, scalar-matrix, and vector-matrix products. The package contains two generic programs: one for floating point, and one for integer. The actual component type is passed as a formal parameter to the generic linear algebra package. The procedures for solving systems of linear equations defined by general matrices include GEFA, GECO, GESL, and GIDI. The HAL/S functions include ABVAL, UNIT, TRACE, DET, INVERSE, TRANSPOSE, GET, PUT, FETCH, PLACE, and IDENTITY. This package is written in Ada (Version 1.2) for batch execution and is machine independent. The linear algebra software depends on nothing outside the Ada language except for a call to a square root function for floating point scalars (such as SQRT in the DEC VAX MATHLIB library). This program was developed in 1989, and is a copyrighted work with all copyright vested in NASA.

Application of Quaternion in improving the quality of global sequence alignment scores for an ambiguous sequence target in Streptococcus pneumoniae DNA

NASA Astrophysics Data System (ADS)

Lestari, D.; Bustamam, A.; Novianti, T.; Ardaneswari, G.

2017-07-01

DNA sequence can be defined as a succession of letters, representing the order of nucleotides within DNA, using a permutation of four DNA base codes including adenine (A), guanine (G), cytosine (C), and thymine (T). The precise code of the sequences is determined using DNA sequencing methods and technologies, which have been developed since the 1970s and currently become highly developed, advanced and highly throughput sequencing technologies. So far, DNA sequencing has greatly accelerated biological and medical research and discovery. However, in some cases DNA sequencing could produce any ambiguous and not clear enough sequencing results that make them quite difficult to be determined whether these codes are A, T, G, or C. To solve these problems, in this study we can introduce other representation of DNA codes namely Quaternion Q = (PA, PT, PG, PC), where PA, PT, PG, PC are the probability of A, T, G, C bases that could appear in Q and PA + PT + PG + PC = 1. Furthermore, using Quaternion representations we are able to construct the improved scoring matrix for global sequence alignment processes, by applying a dot product method. Moreover, this scoring matrix produces better and higher quality of the match and mismatch score between two DNA base codes. In implementation, we applied the Needleman-Wunsch global sequence alignment algorithm using Octave, to analyze our target sequence which contains some ambiguous sequence data. The subject sequences are the DNA sequences of Streptococcus pneumoniae families obtained from the Genebank, meanwhile the target DNA sequence are received from our collaborator database. As the results we found the Quaternion representations improve the quality of the sequence alignment score and we can conclude that DNA sequence target has maximum similarity with Streptococcus pneumoniae.

An Integrated, Optimization-Based Approach to the Design and Control of Large Space Structures.

DTIC Science & Technology

1984-05-01

investigator.s shall use a nonlinear beam model for the large motions, and they shall use a linear beam model to describe the small displacements as a... use a nonlinear beam model for the large motions, and we shall use a linear beam model to describe the small displacements as a perturbation around the...of the angular velocity, wt as follows 0 = 0 - 0 (2. ) -01 G,𔃼 - f- 0. The use of a quaternion avoids singularities which are often encountered in

Vega roll and attitude control system algorithms trade-off study

NASA Astrophysics Data System (ADS)

Paulino, N.; Cuciniello, G.; Cruciani, I.; Corraro, F.; Spallotta, D.; Nebula, F.

2013-12-01

This paper describes the trade-off study for the selection of the most suitable algorithms for the Roll and Attitude Control System (RACS) within the FPS-A program, aimed at developing the new Flight Program Software of VEGA Launcher. Two algorithms were analyzed: Switching Lines (SL) and Quaternion Feedback Regulation. Using a development simulation tool that models two critical flight phases (Long Coasting Phase (LCP) and Payload Release (PLR) Phase), both algorithms were assessed with Monte Carlo batch simulations for both of the phases. The statistical outcomes of the results demonstrate a 100 percent success rate for Quaternion Feedback Regulation, and support the choice of this method.

Development and application of a local linearization algorithm for the integration of quaternion rate equations in real-time flight simulation problems

NASA Technical Reports Server (NTRS)

Barker, L. E., Jr.; Bowles, R. L.; Williams, L. H.

1973-01-01

High angular rates encountered in real-time flight simulation problems may require a more stable and accurate integration method than the classical methods normally used. A study was made to develop a general local linearization procedure of integrating dynamic system equations when using a digital computer in real-time. The procedure is specifically applied to the integration of the quaternion rate equations. For this application, results are compared to a classical second-order method. The local linearization approach is shown to have desirable stability characteristics and gives significant improvement in accuracy over the classical second-order integration methods.

Adaptive quaternion tracking with nonlinear extended state observer

NASA Astrophysics Data System (ADS)

Bai, Yu-liang; Wang, Xiao-gang; Xu, Jiang-tao; Cui, Nai-gang

2017-10-01

This paper addresses the problem of attitude tracking for spacecraft in the presence of uncertainties in moments of inertia and environmental disturbances. An adaptive quaternion tracking control is combined with a nonlinear extended state observer and the disturbances compensated for in each sampling period. The tracking controller is proved to asymptotically track a prescribed motion in the presence of these uncertainties. Simulations of a nano-spacecraft demonstrate a significant improvement in pointing accuracy and tracking error when compared to a conventional attitude controller. The proposed tracking control is completely deterministic, simple to implement, does not require knowledge of the uncertainties and does not suffer from chattering.

Invariant resolutions for several Fueter operators

NASA Astrophysics Data System (ADS)

Colombo, Fabrizio; Souček, Vladimir; Struppa, Daniele C.

2006-07-01

A proper generalization of complex function theory to higher dimension is Clifford analysis and an analogue of holomorphic functions of several complex variables were recently described as the space of solutions of several Dirac equations. The four-dimensional case has special features and is closely connected to functions of quaternionic variables. In this paper we present an approach to the Dolbeault sequence for several quaternionic variables based on symmetries and representation theory. In particular we prove that the resolution of the Cauchy-Fueter system obtained algebraically, via Gröbner bases techniques, is equivalent to the one obtained by R.J. Baston (J. Geom. Phys. 1992).

3D kinematics using dual quaternions: theory and applications in neuroscience

PubMed Central

Leclercq, Guillaume; Lefèvre, Philippe; Blohm, Gunnar

2013-01-01

In behavioral neuroscience, many experiments are developed in 1 or 2 spatial dimensions, but when scientists tackle problems in 3-dimensions (3D), they often face problems or new challenges. Results obtained for lower dimensions are not always extendable in 3D. In motor planning of eye, gaze or arm movements, or sensorimotor transformation problems, the 3D kinematics of external (stimuli) or internal (body parts) must often be considered: how to describe the 3D position and orientation of these objects and link them together? We describe how dual quaternions provide a convenient way to describe the 3D kinematics for position only (point transformation) or for combined position and orientation (through line transformation), easily modeling rotations, translations or screw motions or combinations of these. We also derive expressions for the velocities of points and lines as well as the transformation velocities. Then, we apply these tools to a motor planning task for manual tracking and to the modeling of forward and inverse kinematics of a seven-dof three-link arm to show the interest of dual quaternions as a tool to build models for these kinds of applications. PMID:23443667

State-Dependent Pseudo-Linear Filter for Spacecraft Attitude and Rate Estimation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.; Harman, Richard R.

2001-01-01

This paper presents the development and performance of a special algorithm for estimating the attitude and angular rate of a spacecraft. The algorithm is a pseudo-linear Kalman filter, which is an ordinary linear Kalman filter that operates on a linear model whose matrices are current state estimate dependent. The nonlinear rotational dynamics equation of the spacecraft is presented in the state space as a state-dependent linear system. Two types of measurements are considered. One type is a measurement of the quaternion of rotation, which is obtained from a newly introduced star tracker based apparatus. The other type of measurement is that of vectors, which permits the use of a variety of vector measuring sensors like sun sensors and magnetometers. While quaternion measurements are related linearly to the state vector, vector measurements constitute a nonlinear function of the state vector. Therefore, in this paper, a state-dependent linear measurement equation is developed for the vector measurement case. The state-dependent pseudo linear filter is applied to simulated spacecraft rotations and adequate estimates of the spacecraft attitude and rate are obtained for the case of quaternion measurements as well as of vector measurements.

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

Unseren, M.A.

The report discusses the orientation tracking control problem for a kinematically redundant, autonomous manipulator moving in a three dimensional workspace. The orientation error is derived using the normalized quaternion error method of Ickes, the Luh, Walker, and Paul error method, and a method suggested here utilizing the Rodrigues parameters, all of which are expressed in terms of normalized quaternions. The analytical time derivatives of the orientation errors are determined. The latter, along with the translational velocity error, form a dosed loop kinematic velocity model of the manipulator using normalized quaternion and translational position feedback. An analysis of the singularities associatedmore » with expressing the models in a form suitable for solving the inverse kinematics problem is given. Two redundancy resolution algorithms originally developed using an open loop kinematic velocity model of the manipulator are extended to properly take into account the orientation tracking control problem. This report furnishes the necessary mathematical framework required prior to experimental implementation of the orientation tracking control schemes on the seven axis CESARm research manipulator or on the seven-axis Robotics Research K1207i dexterous manipulator, the latter of which is to be delivered to the Oak Ridge National Laboratory in 1993.« less

Comparison and testing of extended Kalman filters for attitude estimation of the Earth radiation budget satellite

NASA Technical Reports Server (NTRS)

Deutschmann, Julie; Bar-Itzhack, Itzhack Y.; Rokni, Mohammad

1990-01-01

The testing and comparison of two Extended Kalman Filters (EKFs) developed for the Earth Radiation Budget Satellite (ERBS) is described. One EKF updates the attitude quaternion using a four component additive error quaternion. This technique is compared to that of a second EKF, which uses a multiplicative error quaternion. A brief development of the multiplicative algorithm is included. The mathematical development of the additive EKF was presented in the 1989 Flight Mechanics/Estimation Theory Symposium along with some preliminary testing results using real spacecraft data. A summary of the additive EKF algorithm is included. The convergence properties, singularity problems, and normalization techniques of the two filters are addressed. Both filters are also compared to those from the ERBS operational ground support software, which uses a batch differential correction algorithm to estimate attitude and gyro biases. Sensitivity studies are performed on the estimation of sensor calibration states. The potential application of the EKF for real time and non-real time ground attitude determination and sensor calibration for future missions such as the Gamma Ray Observatory (GRO) and the Small Explorer Mission (SMEX) is also presented.

Vector-matrix-quaternion, array and arithmetic packages: All HAL/S functions implemented in Ada

NASA Technical Reports Server (NTRS)

Klumpp, Allan R.; Kwong, David D.

1986-01-01

The HAL/S avionics programmers have enjoyed a variety of tools built into a language tailored to their special requirements. Ada is designed for a broader group of applications. Rather than providing built-in tools, Ada provides the elements with which users can build their own. Standard avionic packages remain to be developed. These must enable programmers to code in Ada as they have coded in HAL/S. The packages under development at JPL will provide all of the vector-matrix, array, and arithmetic functions described in the HAL/S manuals. In addition, the linear algebra package will provide all of the quaternion functions used in Shuttle steering and Galileo attitude control. Furthermore, using Ada's extensibility, many quaternion functions are being implemented as infix operations; equivalent capabilities were never implemented in HAL/S because doing so would entail modifying the compiler and expanding the language. With these packages, many HAL/S expressions will compile and execute in Ada, unchanged. Others can be converted simply by replacing the implicit HAL/S multiply operator with the Ada *. Errors will be trapped and identified. Input/output will be convenient and readable.

Non-commutative methods in quantum mechanics

NASA Astrophysics Data System (ADS)

Millard, Andrew Clive

1997-09-01

Non-commutativity appears in physics almost hand in hand with quantum mechanics. Non-commuting operators corresponding to observables lead to Heisenberg's Uncertainty Principle, which is often used as a prime example of how quantum mechanics transcends 'common sense', while the operators that generate a symmetry group are usually given in terms of their commutation relations. This thesis discusses a number of new developments which go beyond the usual stopping point of non-commuting quantities as matrices with complex elements. Chapter 2 shows how certain generalisations of quantum mechanics, from using complex numbers to using other (often non-commutative) algebras, can still be written as linear systems with symplectic phase flows. Chapter 3 deals with Adler's trace dynamics, a non-linear graded generalisation of Hamiltonian dynamics with supersymmetry applications, where the phase space coordinates are (generally non-commuting) operators, and reports on aspects of a demonstration that the statistical averages of the dynamical variables obey the rules of complex quantum field theory. The last two chapters discuss specific aspects of quaternionic quantum mechanics. Chapter 4 reports a generalised projective representation theory and presents a structure theorem that categorises quaternionic projective representations. Chapter 5 deals with a generalisation of the coherent states formalism and examines how it may be applied to two commonly used groups.

Targeted medication delivery using magnetic nanostructures

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

Yoon, Mina

We use quaternion molecular dynamics simulations to describe field-induced structural transitions in systems of few magnetic dipoles and their use for targeted medication delivery. Compact ring isomers of magnetic particles are contained, together with molecules of an active medication, inside inert microcapsules. The filled microcapsules may be transported within the body using a weak,inhomogeneous magnetic field. Medication release is triggered by puncturing the container during a structural transition within the magnetic subsystem, induced by an externally applied strong magnetic field. Our simulations describe not only the time evolution of the magnetic subsystem during a successful medication release, but also addressmore » ways to suppress an accidental release induced by thermal and magnetic fluctuations.« less

Reconstruction of color biomedical images by means of quaternion generic Jacobi-Fourier moments in the framework of polar pixels

PubMed Central

Camacho-Bello, César; Padilla-Vivanco, Alfonso; Toxqui-Quitl, Carina; Báez-Rojas, José Javier

2016-01-01

Abstract. A detailed analysis of the quaternion generic Jacobi-Fourier moments (QGJFMs) for color image description is presented. In order to reach numerical stability, a recursive approach is used during the computation of the generic Jacobi radial polynomials. Moreover, a search criterion is performed to establish the best values for the parameters α and β of the radial Jacobi polynomial families. Additionally, a polar pixel approach is taken into account to increase the numerical accuracy in the calculation of the QGJFMs. To prove the mathematical theory, some color images from optical microscopy and human retina are used. Experiments and results about color image reconstruction are presented. PMID:27014716

Wilkinson Microwave Anisotropy Probe (WMAP) Attitude Estimation Filter Comparison

NASA Technical Reports Server (NTRS)

Harman, Richard R.

2005-01-01

The Wilkinson Microwave Anisotropy Probe (WMAP) spacecraft was launched in June of 2001. The sensor complement of WMAP consists of two Autonomous Star Trackers (ASTs), two Fine Sun Sensors (FSSs), and a gyro package which contains redundancy about one of the WMAP body axes. The onboard attitude estimation filter consists of an extended Kalman filter (EKF) solving for attitude and gyro bias errors which are then resolved into a spacecraft attitude quaternion and gyro bias. A pseudo-linear Kalman filter has been developed which directly estimates the spacecraft attitude quaternion, rate, and gyro bias. In this paper, the performance of the two filters is compared for the two major control modes of WMAP: inertial mode and observation mode.

Spacecraft Dynamics Should be Considered in Kalman Filter Attitude Estimation

NASA Technical Reports Server (NTRS)

Yang, Yaguang; Zhou, Zhiqiang

2016-01-01

Kalman filter based spacecraft attitude estimation has been used in some high-profile missions and has been widely discussed in literature. While some models in spacecraft attitude estimation include spacecraft dynamics, most do not. To our best knowledge, there is no comparison on which model is a better choice. In this paper, we discuss the reasons why spacecraft dynamics should be considered in the Kalman filter based spacecraft attitude estimation problem. We also propose a reduced quaternion spacecraft dynamics model which admits additive noise. Geometry of the reduced quaternion model and the additive noise are discussed. This treatment is more elegant in mathematics and easier in computation. We use some simulation example to verify our claims.

GRACE star camera noise

NASA Astrophysics Data System (ADS)

Harvey, Nate

2016-08-01

Extending results from previous work by Bandikova et al. (2012) and Inacio et al. (2015), this paper analyzes Gravity Recovery and Climate Experiment (GRACE) star camera attitude measurement noise by processing inter-camera quaternions from 2003 to 2015. We describe a correction to star camera data, which will eliminate a several-arcsec twice-per-rev error with daily modulation, currently visible in the auto-covariance function of the inter-camera quaternion, from future GRACE Level-1B product releases. We also present evidence supporting the argument that thermal conditions/settings affect long-term inter-camera attitude biases by at least tens-of-arcsecs, and that several-to-tens-of-arcsecs per-rev star camera errors depend largely on field-of-view.

Computer simulations of structural transitions in large ferrofluid aggregates

NASA Astrophysics Data System (ADS)

Yoon, Mina; Tomanek, David

2003-03-01

We have developed a quaternion molecular dynamics formalism to study structural transitions in systems of ferrofluid particles in colloidal suspensions. Our approach takes advantage of the viscous damping provided by the surrounding liquid and enables us to study the time evolution of these systems over milli-second time periods as a function of the number of particles, initial geometry, and an externally applied magnetic field. Our computer simulations for aggregates containing tens to hundreds of ferrofluid particles suggest that these systems relax to the global optimum structure in a step-wise manner. During the relaxation process, the potential energy decreases by two mechanisms, which occur on different time scales. Short time periods associated with structural relaxations within a given morphology are followed by much slower processes that generally lead to a simpler morphology. We discuss possible applications of these externally driven structural transitions for targeted medication delivery.

The complex and quaternionic quantum bit from relativity of simultaneity on an interferometer

NASA Astrophysics Data System (ADS)

Garner, Andrew J. P.; Müller, Markus P.; Dahlsten, Oscar C. O.

2017-12-01

The patterns of fringes produced by an interferometer have long been important testbeds for our best contemporary theories of physics. Historically, interference has been used to contrast quantum mechanics with classical physics, but recently experiments have been performed that test quantum theory against even more exotic alternatives. A physically motivated family of theories are those where the state space of a two-level system is given by a sphere of arbitrary dimension. This includes classical bits, and real, complex and quaternionic quantum theory. In this paper, we consider relativity of simultaneity (i.e. that observers may disagree about the order of events at different locations) as applied to a two-armed interferometer, and show that this forbids most interference phenomena more complicated than those of complex quantum theory. If interference must depend on some relational property of the setting (such as path difference), then relativity of simultaneity will limit state spaces to standard complex quantum theory, or a subspace thereof. If this relational assumption is relaxed, we find one additional theory compatible with relativity of simultaneity: quaternionic quantum theory. Our results have consequences for current laboratory interference experiments: they have to be designed carefully to avoid rendering beyond-quantum effects invisible by relativity of simultaneity.

Three Dimensional Gait Analysis Using Wearable Acceleration and Gyro Sensors Based on Quaternion Calculations

PubMed Central

Tadano, Shigeru; Takeda, Ryo; Miyagawa, Hiroaki

2013-01-01

This paper proposes a method for three dimensional gait analysis using wearable sensors and quaternion calculations. Seven sensor units consisting of a tri-axial acceleration and gyro sensors, were fixed to the lower limbs. The acceleration and angular velocity data of each sensor unit were measured during level walking. The initial orientations of the sensor units were estimated using acceleration data during upright standing position and the angular displacements were estimated afterwards using angular velocity data during gait. Here, an algorithm based on quaternion calculation was implemented for orientation estimation of the sensor units. The orientations of the sensor units were converted to the orientations of the body segments by a rotation matrix obtained from a calibration trial. Body segment orientations were then used for constructing a three dimensional wire frame animation of the volunteers during the gait. Gait analysis was conducted on five volunteers, and results were compared with those from a camera-based motion analysis system. Comparisons were made for the joint trajectory in the horizontal and sagittal plane. The average RMSE and correlation coefficient (CC) were 10.14 deg and 0.98, 7.88 deg and 0.97, 9.75 deg and 0.78 for the hip, knee and ankle flexion angles, respectively. PMID:23877128

Attitude Estimation or Quaternion Estimation?

NASA Technical Reports Server (NTRS)

Markley, F. Landis

2003-01-01

The attitude of spacecraft is represented by a 3x3 orthogonal matrix with unity determinant, which belongs to the three-dimensional special orthogonal group SO(3). The fact that all three-parameter representations of SO(3) are singular or discontinuous for certain attitudes has led to the use of higher-dimensional nonsingular parameterizations, especially the four-component quaternion. In attitude estimation, we are faced with the alternatives of using an attitude representation that is either singular or redundant. Estimation procedures fall into three broad classes. The first estimates a three-dimensional representation of attitude deviations from a reference attitude parameterized by a higher-dimensional nonsingular parameterization. The deviations from the reference are assumed to be small enough to avoid any singularity or discontinuity of the three-dimensional parameterization. The second class, which estimates a higher-dimensional representation subject to enough constraints to leave only three degrees of freedom, is difficult to formulate and apply consistently. The third class estimates a representation of SO(3) with more than three dimensions, treating the parameters as independent. We refer to the most common member of this class as quaternion estimation, to contrast it with attitude estimation. We analyze the first and third of these approaches in the context of an extended Kalman filter with simplified kinematics and measurement models.

The complex and quaternionic quantum bit from relativity of simultaneity on an interferometer.

PubMed

Garner, Andrew J P; Müller, Markus P; Dahlsten, Oscar C O

2017-12-01

The patterns of fringes produced by an interferometer have long been important testbeds for our best contemporary theories of physics. Historically, interference has been used to contrast quantum mechanics with classical physics, but recently experiments have been performed that test quantum theory against even more exotic alternatives. A physically motivated family of theories are those where the state space of a two-level system is given by a sphere of arbitrary dimension. This includes classical bits, and real, complex and quaternionic quantum theory. In this paper, we consider relativity of simultaneity (i.e. that observers may disagree about the order of events at different locations) as applied to a two-armed interferometer, and show that this forbids most interference phenomena more complicated than those of complex quantum theory. If interference must depend on some relational property of the setting (such as path difference), then relativity of simultaneity will limit state spaces to standard complex quantum theory, or a subspace thereof. If this relational assumption is relaxed, we find one additional theory compatible with relativity of simultaneity: quaternionic quantum theory. Our results have consequences for current laboratory interference experiments: they have to be designed carefully to avoid rendering beyond-quantum effects invisible by relativity of simultaneity.

Digital watermarking algorithm research of color images based on quaternion Fourier transform

NASA Astrophysics Data System (ADS)

An, Mali; Wang, Weijiang; Zhao, Zhen

2013-10-01

A watermarking algorithm of color images based on the quaternion Fourier Transform (QFFT) and improved quantization index algorithm (QIM) is proposed in this paper. The original image is transformed by QFFT, the watermark image is processed by compression and quantization coding, and then the processed watermark image is embedded into the components of the transformed original image. It achieves embedding and blind extraction of the watermark image. The experimental results show that the watermarking algorithm based on the improved QIM algorithm with distortion compensation achieves a good tradeoff between invisibility and robustness, and better robustness for the attacks of Gaussian noises, salt and pepper noises, JPEG compression, cropping, filtering and image enhancement than the traditional QIM algorithm.

Fast Quaternion Attitude Estimation from Two Vector Measurements

NASA Technical Reports Server (NTRS)

Markley, F. Landis; Bauer, Frank H. (Technical Monitor)

2001-01-01

Many spacecraft attitude determination methods use exactly two vector measurements. The two vectors are typically the unit vector to the Sun and the Earth's magnetic field vector for coarse "sun-mag" attitude determination or unit vectors to two stars tracked by two star trackers for fine attitude determination. Existing closed-form attitude estimates based on Wahba's optimality criterion for two arbitrarily weighted observations are somewhat slow to evaluate. This paper presents two new fast quaternion attitude estimation algorithms using two vector observations, one optimal and one suboptimal. The suboptimal method gives the same estimate as the TRIAD algorithm, at reduced computational cost. Simulations show that the TRIAD estimate is almost as accurate as the optimal estimate in representative test scenarios.

Autocollimation system for measuring angular deformations with reflector designed by quaternionic method

NASA Astrophysics Data System (ADS)

Hoang, Phong V.; Konyakhin, Igor A.

2017-06-01

Autocollimators are widely used for angular measurements in instrument-making and the manufacture of elements of optical systems (wedges, prisms, plane-parallel plates) to check their shape parameters (rectilinearity, parallelism and planarity) and retrieve their optical parameters (curvature radii, measure and test their flange focusing). Autocollimator efficiency is due to the high sensitivity of the autocollimation method to minor rotations of the reflecting control element or the controlled surface itself. We consider using quaternions to optimize reflector parameters during autocollimation measurements as compared to the matrix technique. Mathematical model studies have demonstrated that the orthogonal positioning of the two basic unchanged directions of the tetrahedral reflector of the autocollimator is optimal by the criterion of reducing measurement errors where the axis of actual rotation is in a bisecting position towards them. Computer results are presented of running quaternion models that yielded conditions for diminishing measurement errors provided apriori information is available on the position of rotation axis. A practical technique is considered for synthesizing the parameters of the tetrahedral reflector that employs the newly-retrieved relationships. Following the relationships found between the angles of the tetrahedral reflector and the angles of the parameters of its initial orientation, an applied technique was developed to synthesize the control element for autocollimation measurements in case apriori information is available on the axis of actual rotation during monitoring measurements of shaft or pipeline deformation.

Comparison of Different Attitude Correction Models for ZY-3 Satellite Imagery

NASA Astrophysics Data System (ADS)

Song, Wenping; Liu, Shijie; Tong, Xiaohua; Niu, Changling; Ye, Zhen; Zhang, Han; Jin, Yanmin

2018-04-01

ZY-3 satellite, launched in 2012, is the first civilian high resolution stereo mapping satellite of China. This paper analyzed the positioning errors of ZY-3 satellite imagery and conducted compensation for geo-position accuracy improvement using different correction models, including attitude quaternion correction, attitude angle offset correction, and attitude angle linear correction. The experimental results revealed that there exist systematic errors with ZY-3 attitude observations and the positioning accuracy can be improved after attitude correction with aid of ground controls. There is no significant difference between the results of attitude quaternion correction method and the attitude angle correction method. However, the attitude angle offset correction model produced steady improvement than the linear correction model when limited ground control points are available for single scene.

Depth-resolved birefringence and differential optical axis orientation measurements with fiber-based polarization-sensitive optical coherence tomography.

PubMed

Guo, Shuguang; Zhang, Jun; Wang, Lei; Nelson, J Stuart; Chen, Zhongping

2004-09-01

Conventional polarization-sensitive optical coherence tomography (PS-OCT) can provide depth-resolved Stokes parameter measurements of light reflected from turbid media. A new algorithm that takes into account changes in the optical axis is introduced to provide depth-resolved birefringence and differential optical axis orientation images by use of fiber-based PS-OCT. Quaternion, a convenient mathematical tool, is used to represent an optical element and simplify the algorithm. Experimental results with beef tendon and rabbit tendon and muscle show that this technique has promising potential for imaging the birefringent structure of multiple-layer samples with varying optical axes.

Ada Linear-Algebra Program

NASA Technical Reports Server (NTRS)

Klumpp, A. R.; Lawson, C. L.

1988-01-01

Routines provided for common scalar, vector, matrix, and quaternion operations. Computer program extends Ada programming language to include linear-algebra capabilities similar to HAS/S programming language. Designed for such avionics applications as software for Space Station.

Dual Quaternions as Constraints in 4D-DPM Models for Pose Estimation.

PubMed

Martinez-Berti, Enrique; Sánchez-Salmerón, Antonio-José; Ricolfe-Viala, Carlos

2017-08-19

The goal of this research work is to improve the accuracy of human pose estimation using the Deformation Part Model (DPM) without increasing computational complexity. First, the proposed method seeks to improve pose estimation accuracy by adding the depth channel to DPM, which was formerly defined based only on red-green-blue (RGB) channels, in order to obtain a four-dimensional DPM (4D-DPM). In addition, computational complexity can be controlled by reducing the number of joints by taking it into account in a reduced 4D-DPM. Finally, complete solutions are obtained by solving the omitted joints by using inverse kinematics models. In this context, the main goal of this paper is to analyze the effect on pose estimation timing cost when using dual quaternions to solve the inverse kinematics.

Spacecraft attitude determination using a second-order nonlinear filter

NASA Technical Reports Server (NTRS)

Vathsal, S.

1987-01-01

The stringent attitude determination accuracy and faster slew maneuver requirements demanded by present-day spacecraft control systems motivate the development of recursive nonlinear filters for attitude estimation. This paper presents the second-order filter development for the estimation of attitude quaternion using three-axis gyro and star tracker measurement data. Performance comparisons have been made by computer simulation of system models and filter mechanization. It is shown that the second-order filter consistently performs better than the extended Kalman filter when the performance index of the root sum square estimation error of the quaternion vector is compared. The second-order filter identifies the gyro drift rates faster than the extended Kalman filter. The uniqueness of this algorithm is the online generation of the time-varying process and measurement noise covariance matrices, derived as a function or the process and measurement nonlinearity, respectively.

Extended Kalman filter for attitude estimation of the earth radiation budget satellite

NASA Technical Reports Server (NTRS)

Deutschmann, Julie; Bar-Itzhack, Itzhack Y.

1989-01-01

The design and testing of an Extended Kalman Filter (EKF) for ground attitude determination, misalignment estimation and sensor calibration of the Earth Radiation Budget Satellite (ERBS) are described. Attitude is represented by the quaternion of rotation and the attitude estimation error is defined as an additive error. Quaternion normalization is used for increasing the convergence rate and for minimizing the need for filter tuning. The development of the filter dynamic model, the gyro error model and the measurement models of the Sun sensors, the IR horizon scanner and the magnetometers which are used to generate vector measurements are also presented. The filter is applied to real data transmitted by ERBS sensors. Results are presented and analyzed and the EKF advantages as well as sensitivities are discussed. On the whole the filter meets the expected synergism, accuracy and robustness.

A 3D generic inverse dynamic method using wrench notation and quaternion algebra.

PubMed

Dumas, R; Aissaoui, R; de Guise, J A

2004-06-01

In the literature, conventional 3D inverse dynamic models are limited in three aspects related to inverse dynamic notation, body segment parameters and kinematic formalism. First, conventional notation yields separate computations of the forces and moments with successive coordinate system transformations. Secondly, the way conventional body segment parameters are defined is based on the assumption that the inertia tensor is principal and the centre of mass is located between the proximal and distal ends. Thirdly, the conventional kinematic formalism uses Euler or Cardanic angles that are sequence-dependent and suffer from singularities. In order to overcome these limitations, this paper presents a new generic method for inverse dynamics. This generic method is based on wrench notation for inverse dynamics, a general definition of body segment parameters and quaternion algebra for the kinematic formalism.

IMU: inertial sensing of vertical CoM movement.

PubMed

Esser, Patrick; Dawes, Helen; Collett, Johnny; Howells, Ken

2009-07-22

The purpose of this study was to use a quaternion rotation matrix in combination with an integration approach to transform translatory accelerations of the centre of mass (CoM) from an inertial measurement unit (IMU) during walking, from the object system onto the global frame. Second, this paper utilises double integration to determine the relative change in position of the CoM from the vertical acceleration data. Five participants were tested in which an IMU, consisting of accelerometers, gyroscopes and magnetometers was attached on the lower spine estimated centre of mass. Participants were asked to walk three times through a calibrated volume at their self-selected walking speed. Synchronized data were collected by an IMU and an optical motion capture system (OMCS); both measured at 100 Hz. Accelerations of the IMU were transposed onto the global frame using a quaternion rotation matrix. Translatory acceleration, speed and relative change in position from the IMU were compared with the derived data from the OMCS. Peak acceleration in vertical axis showed no significant difference (p> or =0.05). Difference between peak and trough speed showed significant difference (p<0.05) but relative peak-trough position between the IMU and OMCS did not show any significant difference (p> or =0.05). These results indicate that quaternions, in combination with Simpsons rule integration, can be used in transforming translatory acceleration from the object frame to the global frame and therefore obtain relative change in position, thus offering a solution for using accelerometers in accurate global frame kinematic gait analyses.

Description and User Instructions for the Quaternion_to_Orbit_v3 Software

NASA Technical Reports Server (NTRS)

Strekalov, Dmitry V.; Kruizinga, Gerhard L.; Paik, Meegyeong; Yuan, Dah-Ning; Asmar, Sami W.

2012-01-01

For a given inertial frame of reference, the software combines the spacecraft orbits with the spacecraft attitude quaternions, and rotates the body-fixed reference frame of a particular spacecraft to the inertial reference frame. The conversion assumes that the two spacecraft are aligned with respect to the mutual line of sight, with a parameterized time tag. The software is implemented in Python and is completely open source. It is very versatile, and may be applied under various circumstances and for other related purposes. Based on the solid linear algebra analysis, it has an extra option for compensating the linear pitch. This software has been designed for simulation of the calibration maneuvers performed by the two spacecraft comprising the GRAIL mission to the Moon, but has potential use for other applications. In simulations of formation flights, one needs to coordinate the spacecraft orbits represented in an appropriate inertial reference frame and the spacecraft attitudes. The latter are usually given as the time series of quaternions rotating the body-fixed reference frame of a particular spacecraft to the inertial reference frame. It is often desirable to simulate the same maneuver for different segments of the orbit. It is also useful to study various maneuvers that could be performed at the same orbit segment. These two lines of study are more timeand labor-efficient if the attitude and orbit data are generated independently, so that the part of the data that has not been changed can be recycled in the course of multiple simulations.

Study of the Algorithm of Backtracking Decoupling and Adaptive Extended Kalman Filter Based on the Quaternion Expanded to the State Variable for Underwater Glider Navigation

PubMed Central

Huang, Haoqian; Chen, Xiyuan; Zhou, Zhikai; Xu, Yuan; Lv, Caiping

2014-01-01

High accuracy attitude and position determination is very important for underwater gliders. The cross-coupling among three attitude angles (heading angle, pitch angle and roll angle) becomes more serious when pitch or roll motion occurs. This cross-coupling makes attitude angles inaccurate or even erroneous. Therefore, the high accuracy attitude and position determination becomes a difficult problem for a practical underwater glider. To solve this problem, this paper proposes backing decoupling and adaptive extended Kalman filter (EKF) based on the quaternion expanded to the state variable (BD-AEKF). The backtracking decoupling can eliminate effectively the cross-coupling among the three attitudes when pitch or roll motion occurs. After decoupling, the adaptive extended Kalman filter (AEKF) based on quaternion expanded to the state variable further smoothes the filtering output to improve the accuracy and stability of attitude and position determination. In order to evaluate the performance of the proposed BD-AEKF method, the pitch and roll motion are simulated and the proposed method performance is analyzed and compared with the traditional method. Simulation results demonstrate the proposed BD-AEKF performs better. Furthermore, for further verification, a new underwater navigation system is designed, and the three-axis non-magnetic turn table experiments and the vehicle experiments are done. The results show that the proposed BD-AEKF is effective in eliminating cross-coupling and reducing the errors compared with the conventional method. PMID:25479331

INS/GNSS Tightly-Coupled Integration Using Quaternion-Based AUPF for USV.

PubMed

Xia, Guoqing; Wang, Guoqing

2016-08-02

This paper addresses the problem of integration of Inertial Navigation System (INS) and Global Navigation Satellite System (GNSS) for the purpose of developing a low-cost, robust and highly accurate navigation system for unmanned surface vehicles (USVs). A tightly-coupled integration approach is one of the most promising architectures to fuse the GNSS data with INS measurements. However, the resulting system and measurement models turn out to be nonlinear, and the sensor stochastic measurement errors are non-Gaussian and distributed in a practical system. Particle filter (PF), one of the most theoretical attractive non-linear/non-Gaussian estimation methods, is becoming more and more attractive in navigation applications. However, the large computation burden limits its practical usage. For the purpose of reducing the computational burden without degrading the system estimation accuracy, a quaternion-based adaptive unscented particle filter (AUPF), which combines the adaptive unscented Kalman filter (AUKF) with PF, has been proposed in this paper. The unscented Kalman filter (UKF) is used in the algorithm to improve the proposal distribution and generate a posterior estimates, which specify the PF importance density function for generating particles more intelligently. In addition, the computational complexity of the filter is reduced with the avoidance of the re-sampling step. Furthermore, a residual-based covariance matching technique is used to adapt the measurement error covariance. A trajectory simulator based on a dynamic model of USV is used to test the proposed algorithm. Results show that quaternion-based AUPF can significantly improve the overall navigation accuracy and reliability.

Study of the algorithm of backtracking decoupling and adaptive extended Kalman filter based on the quaternion expanded to the state variable for underwater glider navigation.

PubMed

Huang, Haoqian; Chen, Xiyuan; Zhou, Zhikai; Xu, Yuan; Lv, Caiping

2014-12-03

High accuracy attitude and position determination is very important for underwater gliders. The cross-coupling among three attitude angles (heading angle, pitch angle and roll angle) becomes more serious when pitch or roll motion occurs. This cross-coupling makes attitude angles inaccurate or even erroneous. Therefore, the high accuracy attitude and position determination becomes a difficult problem for a practical underwater glider. To solve this problem, this paper proposes backing decoupling and adaptive extended Kalman filter (EKF) based on the quaternion expanded to the state variable (BD-AEKF). The backtracking decoupling can eliminate effectively the cross-coupling among the three attitudes when pitch or roll motion occurs. After decoupling, the adaptive extended Kalman filter (AEKF) based on quaternion expanded to the state variable further smoothes the filtering output to improve the accuracy and stability of attitude and position determination. In order to evaluate the performance of the proposed BD-AEKF method, the pitch and roll motion are simulated and the proposed method performance is analyzed and compared with the traditional method. Simulation results demonstrate the proposed BD-AEKF performs better. Furthermore, for further verification, a new underwater navigation system is designed, and the three-axis non-magnetic turn table experiments and the vehicle experiments are done. The results show that the proposed BD-AEKF is effective in eliminating cross-coupling and reducing the errors compared with the conventional method.

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

Bhardwaj, Lakshya; Gaiotto, Davide; Kapustin, Anton

It is possible to describe fermionic phases of matter and spin-topological field theories in 2+1d in terms of bosonic “shadow” theories, which are obtained from the original theory by “gauging fermionic parity”. Furthemore, the fermionic/spin theories are recovered from their shadow by a process of fermionic anyon condensation: gauging a one-form symmetry generated by quasi-particles with fermionic statistics. We apply the formalism to theories which admit gapped boundary conditions. We obtain Turaev-Viro-like and Levin-Wen-like constructions of fermionic phases of matter. Here, we describe the group structure of fermionic SPT phases protected by Z 2f × G. The quaternion group makesmore » a surprise appearance.« less

Dual-quaternion based fault-tolerant control for spacecraft formation flying with finite-time convergence.

PubMed

Dong, Hongyang; Hu, Qinglei; Ma, Guangfu

2016-03-01

Study results of developing control system for spacecraft formation proximity operations between a target and a chaser are presented. In particular, a coupled model using dual quaternion is employed to describe the proximity problem of spacecraft formation, and a nonlinear adaptive fault-tolerant feedback control law is developed to enable the chaser spacecraft to track the position and attitude of the target even though its actuator occurs fault. Multiple-task capability of the proposed control system is further demonstrated in the presence of disturbances and parametric uncertainties as well. In addition, the practical finite-time stability feature of the closed-loop system is guaranteed theoretically under the designed control law. Numerical simulation of the proposed method is presented to demonstrate the advantages with respect to interference suppression, fast tracking, fault tolerant and practical finite-time stability. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Distributed parameter statics of magnetic catheters.

PubMed

Tunay, Ilker

2011-01-01

We discuss how to use special Cosserat rod theory for deriving distributed-parameter static equilibrium equations of magnetic catheters. These medical devices are used for minimally-invasive diagnostic and therapeutic procedures and can be operated remotely or controlled by automated algorithms. The magnetic material can be lumped in rigid segments or distributed in flexible segments. The position vector of the cross-section centroid and quaternion representation of an orthonormal triad are selected as DOF. The strain energy for transversely isotropic, hyperelastic rods is augmented with the mechanical potential energy of the magnetic field and a penalty term to enforce the quaternion unity constraint. Numerical solution is found by 1D finite elements. Material properties of polymer tubes in extension, bending and twist are determined by mechanical and magnetic experiments. Software experiments with commercial FEM software indicate that the computational effort with the proposed method is at least one order of magnitude less than standard 3D FEM.

Advanced control schemes and kinematic analysis for a kinematically redundant 7 DOF manipulator

NASA Technical Reports Server (NTRS)

Nguyen, Charles C.; Zhou, Zhen-Lei

1990-01-01

The kinematic analysis and control of a kinematically redundant manipulator is addressed. The manipulator is the slave arm of a telerobot system recently built at Goddard Space Flight Center (GSFC) to serve as a testbed for investigating research issues in telerobotics. A forward kinematic transformation is developed in its most simplified form, suitable for real-time control applications, and the manipulator Jacobian is derived using the vector cross product method. Using the developed forward kinematic transformation and quaternion representation of orientation matrices, we perform computer simulation to evaluate the efficiency of the Jacobian in converting joint velocities into Cartesian velocities and to investigate the accuracy of Jacobian pseudo-inverse for various sampling times. The equivalence between Cartesian velocities and quaternion is also verified using computer simulation. Three control schemes are proposed and discussed for controlling the motion of the slave arm end-effector.

Noncommutative products of Euclidean spaces

NASA Astrophysics Data System (ADS)

Dubois-Violette, Michel; Landi, Giovanni

2018-05-01

We present natural families of coordinate algebras on noncommutative products of Euclidean spaces R^{N_1} × _R R^{N_2} . These coordinate algebras are quadratic ones associated with an R -matrix which is involutive and satisfies the Yang-Baxter equations. As a consequence, they enjoy a list of nice properties, being regular of finite global dimension. Notably, we have eight-dimensional noncommutative euclidean spaces R4 × _R R4 . Among these, particularly well behaved ones have deformation parameter u \\in S^2 . Quotients include seven spheres S7_u as well as noncommutative quaternionic tori TH_u = S^3 × _u S^3 . There is invariance for an action of {{SU}}(2) × {{SU}}(2) on the torus TH_u in parallel with the action of U(1) × U(1) on a `complex' noncommutative torus T^2_θ which allows one to construct quaternionic toric noncommutative manifolds. Additional classes of solutions are disjoint from the classical case.

Brownian dynamics of confined rigid bodies

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

Delong, Steven; Balboa Usabiaga, Florencio; Donev, Aleksandar, E-mail: donev@courant.nyu.edu

2015-10-14

We introduce numerical methods for simulating the diffusive motion of rigid bodies of arbitrary shape immersed in a viscous fluid. We parameterize the orientation of the bodies using normalized quaternions, which are numerically robust, space efficient, and easy to accumulate. We construct a system of overdamped Langevin equations in the quaternion representation that accounts for hydrodynamic effects, preserves the unit-norm constraint on the quaternion, and is time reversible with respect to the Gibbs-Boltzmann distribution at equilibrium. We introduce two schemes for temporal integration of the overdamped Langevin equations of motion, one based on the Fixman midpoint method and the othermore » based on a random finite difference approach, both of which ensure that the correct stochastic drift term is captured in a computationally efficient way. We study several examples of rigid colloidal particles diffusing near a no-slip boundary and demonstrate the importance of the choice of tracking point on the measured translational mean square displacement (MSD). We examine the average short-time as well as the long-time quasi-two-dimensional diffusion coefficient of a rigid particle sedimented near a bottom wall due to gravity. For several particle shapes, we find a choice of tracking point that makes the MSD essentially linear with time, allowing us to estimate the long-time diffusion coefficient efficiently using a Monte Carlo method. However, in general, such a special choice of tracking point does not exist, and numerical techniques for simulating long trajectories, such as the ones we introduce here, are necessary to study diffusion on long time scales.« less

Flight Mechanics/Estimation Theory Symposium, 1989

NASA Technical Reports Server (NTRS)

Stengle, Thomas (Editor)

1989-01-01

Numerous topics in flight mechanics and estimation were discussed. Satellite attitude control, quaternion estimation, orbit and attitude determination, spacecraft maneuvers, spacecraft navigation, gyroscope calibration, spacecraft rendevous, and atmospheric drag model calculations for spacecraft lifetime prediction are among the topics covered.

An efficient solver for large structured eigenvalue problems in relativistic quantum chemistry

NASA Astrophysics Data System (ADS)

Shiozaki, Toru

2017-01-01

We report an efficient program for computing the eigenvalues and symmetry-adapted eigenvectors of very large quaternionic (or Hermitian skew-Hamiltonian) matrices, using which structure-preserving diagonalisation of matrices of dimension N > 10, 000 is now routine on a single computer node. Such matrices appear frequently in relativistic quantum chemistry owing to the time-reversal symmetry. The implementation is based on a blocked version of the Paige-Van Loan algorithm, which allows us to use the Level 3 BLAS subroutines for most of the computations. Taking advantage of the symmetry, the program is faster by up to a factor of 2 than state-of-the-art implementations of complex Hermitian diagonalisation; diagonalising a 12, 800 × 12, 800 matrix took 42.8 (9.5) and 85.6 (12.6) minutes with 1 CPU core (16 CPU cores) using our symmetry-adapted solver and Intel Math Kernel Library's ZHEEV that is not structure-preserving, respectively. The source code is publicly available under the FreeBSD licence.

A description of rotations for DEM models of particle systems

NASA Astrophysics Data System (ADS)

Campello, Eduardo M. B.

2015-06-01

In this work, we show how a vector parameterization of rotations can be adopted to describe the rotational motion of particles within the framework of the discrete element method (DEM). It is based on the use of a special rotation vector, called Rodrigues rotation vector, and accounts for finite rotations in a fully exact manner. The use of fictitious entities such as quaternions or complicated structures such as Euler angles is thereby circumvented. As an additional advantage, stick-slip friction models with inter-particle rolling motion are made possible in a consistent and elegant way. A few examples are provided to illustrate the applicability of the scheme. We believe that simple vector descriptions of rotations are very useful for DEM models of particle systems.

Hybrid thrusters and reaction wheels strategy for large angle rapid reorientation with high precision

NASA Astrophysics Data System (ADS)

Ye, Dong; Sun, Zhaowei; Wu, Shunan

2012-08-01

The quaternion-based, high precision, large angle rapid reorientation of rigid spacecraft is the main problem investigated in this study. The operation is accomplished via a hybrid thrusters and reaction wheels strategy where thrusters are engaged in providing a primary maneuver torque in open loop, while reaction wheels provide fine control torque to achieve high precision in closed-loop control. The inaccuracy of thrusters is handled by a variable structure control (VSC). In addition, a signum function is mixed in the switching surface in VSC to produce a maneuver to the reference attitude trajectory in a shortest distance. Detailed proofs and numerical simulation examples are presented to illustrate all the technical aspects of this work.

Quaternions, Torsion and the Physical Vacuum: Theories of M. Sachs and G. Shipov Compared

NASA Astrophysics Data System (ADS)

Cyganski, David; Page, William S.

Of several developments of unified field theories in the spirit of Einstein's original objective of a fully geometric description of all classical fields as well as quantum mechanics, two are particularly noteworthy. The works of Mendel Sachs and Gennady Shipov stand apart as major life works comprising tens of papers, several monographs and decades of effort. Direct comparison of these theories is hampered however by differences in notation and conceptual view-point. Despite these differences, there are many parallels between the fundamental mathematical structures appearing in each. In this paper we discuss the main tenets of the two approaches and demonstrate that they both give rise to a factorization of the invariant interval of general relativity.

Solution of the weighted symmetric similarity transformations based on quaternions

NASA Astrophysics Data System (ADS)

Mercan, H.; Akyilmaz, O.; Aydin, C.

2017-12-01

A new method through Gauss-Helmert model of adjustment is presented for the solution of the similarity transformations, either 3D or 2D, in the frame of errors-in-variables (EIV) model. EIV model assumes that all the variables in the mathematical model are contaminated by random errors. Total least squares estimation technique may be used to solve the EIV model. Accounting for the heteroscedastic uncertainty both in the target and the source coordinates, that is the more common and general case in practice, leads to a more realistic estimation of the transformation parameters. The presented algorithm can handle the heteroscedastic transformation problems, i.e., positions of the both target and the source points may have full covariance matrices. Therefore, there is no limitation such as the isotropic or the homogenous accuracy for the reference point coordinates. The developed algorithm takes the advantage of the quaternion definition which uniquely represents a 3D rotation matrix. The transformation parameters: scale, translations, and the quaternion (so that the rotation matrix) along with their covariances, are iteratively estimated with rapid convergence. Moreover, prior least squares (LS) estimation of the unknown transformation parameters is not required to start the iterations. We also show that the developed method can also be used to estimate the 2D similarity transformation parameters by simply treating the problem as a 3D transformation problem with zero (0) values assigned for the z-components of both target and source points. The efficiency of the new algorithm is presented with the numerical examples and comparisons with the results of the previous studies which use the same data set. Simulation experiments for the evaluation and comparison of the proposed and the conventional weighted LS (WLS) method is also presented.

Numerical algorithm for rigid body position estimation using the quaternion approach

NASA Astrophysics Data System (ADS)

Zigic, Miodrag; Grahovac, Nenad

2017-11-01

This paper deals with rigid body attitude estimation on the basis of the data obtained from an inertial measurement unit mounted on the body. The aim of this work is to present the numerical algorithm, which can be easily applied to the wide class of problems concerning rigid body positioning, arising in aerospace and marine engineering, or in increasingly popular robotic systems and unmanned aerial vehicles. Following the considerations of kinematics of rigid bodies, the relations between accelerations of different points of the body are given. A rotation matrix is formed using the quaternion approach to avoid singularities. We present numerical procedures for determination of the absolute accelerations of the center of mass and of an arbitrary point of the body expressed in the inertial reference frame, as well as its attitude. An application of the algorithm to the example of a heavy symmetrical gyroscope is presented, where input data for the numerical procedure are obtained from the solution of differential equations of motion, instead of using sensor measurements.

Attitude Determination Algorithm based on Relative Quaternion Geometry of Velocity Incremental Vectors for Cost Efficient AHRS Design

NASA Astrophysics Data System (ADS)

Lee, Byungjin; Lee, Young Jae; Sung, Sangkyung

2018-05-01

A novel attitude determination method is investigated that is computationally efficient and implementable in low cost sensor and embedded platform. Recent result on attitude reference system design is adapted to further develop a three-dimensional attitude determination algorithm through the relative velocity incremental measurements. For this, velocity incremental vectors, computed respectively from INS and GPS with different update rate, are compared to generate filter measurement for attitude estimation. In the quaternion-based Kalman filter configuration, an Euler-like attitude perturbation angle is uniquely introduced for reducing filter states and simplifying propagation processes. Furthermore, assuming a small angle approximation between attitude update periods, it is shown that the reduced order filter greatly simplifies the propagation processes. For performance verification, both simulation and experimental studies are completed. A low cost MEMS IMU and GPS receiver are employed for system integration, and comparison with the true trajectory or a high-grade navigation system demonstrates the performance of the proposed algorithm.

Locality for quantum systems on graphs depends on the number field

NASA Astrophysics Data System (ADS)

Hall, H. Tracy; Severini, Simone

2013-07-01

Adapting a definition of Aaronson and Ambainis (2005 Theory Comput. 1 47-79), we call a quantum dynamics on a digraph saturated Z-local if the nonzero transition amplitudes specifying the unitary evolution are in exact correspondence with the directed edges (including loops) of the digraph. This idea appears recurrently in a variety of contexts including angular momentum, quantum chaos, and combinatorial matrix theory. Complete characterization of the digraph properties that allow such a process to exist is a long-standing open question that can also be formulated in terms of minimum rank problems. We prove that saturated Z-local dynamics involving complex amplitudes occur on a proper superset of the digraphs that allow restriction to the real numbers or, even further, the rationals. Consequently, among these fields, complex numbers guarantee the largest possible choice of topologies supporting a discrete quantum evolution. A similar construction separates complex numbers from the skew field of quaternions. The result proposes a concrete ground for distinguishing between complex and quaternionic quantum mechanics.

Saliency Detection for Stereoscopic 3D Images in the Quaternion Frequency Domain

NASA Astrophysics Data System (ADS)

Cai, Xingyu; Zhou, Wujie; Cen, Gang; Qiu, Weiwei

2018-06-01

Recent studies have shown that a remarkable distinction exists between human binocular and monocular viewing behaviors. Compared with two-dimensional (2D) saliency detection models, stereoscopic three-dimensional (S3D) image saliency detection is a more challenging task. In this paper, we propose a saliency detection model for S3D images. The final saliency map of this model is constructed from the local quaternion Fourier transform (QFT) sparse feature and global QFT log-Gabor feature. More specifically, the local QFT feature measures the saliency map of an S3D image by analyzing the location of a similar patch. The similar patch is chosen using a sparse representation method. The global saliency map is generated by applying the wake edge-enhanced gradient QFT map through a band-pass filter. The results of experiments on two public datasets show that the proposed model outperforms existing computational saliency models for estimating S3D image saliency.

The Modern Origin of Matrices and Their Applications

ERIC Educational Resources Information Center

Debnath, L.

2014-01-01

This paper deals with the modern development of matrices, linear transformations, quadratic forms and their applications to geometry and mechanics, eigenvalues, eigenvectors and characteristic equations with applications. Included are the representations of real and complex numbers, and quaternions by matrices, and isomorphism in order to show…

State sum constructions of spin-TFTs and string net constructions of fermionic phases of matter

DOE PAGES

Bhardwaj, Lakshya; Gaiotto, Davide; Kapustin, Anton

2017-04-18

It is possible to describe fermionic phases of matter and spin-topological field theories in 2+1d in terms of bosonic “shadow” theories, which are obtained from the original theory by “gauging fermionic parity”. Furthemore, the fermionic/spin theories are recovered from their shadow by a process of fermionic anyon condensation: gauging a one-form symmetry generated by quasi-particles with fermionic statistics. We apply the formalism to theories which admit gapped boundary conditions. We obtain Turaev-Viro-like and Levin-Wen-like constructions of fermionic phases of matter. Here, we describe the group structure of fermionic SPT phases protected by Z 2f × G. The quaternion group makesmore » a surprise appearance.« less

Method and apparatus for rate integration supplement for attitude referencing with quaternion differencing

NASA Technical Reports Server (NTRS)

Rodden, John James (Inventor); Price, Xenophon (Inventor); Carrou, Stephane (Inventor); Stevens, Homer Darling (Inventor)

2002-01-01

A control system for providing attitude control in spacecraft. The control system comprising a primary attitude reference system, a secondary attitude reference system, and a hyper-complex number differencing system. The hyper-complex number differencing system is connectable to the primary attitude reference system and the secondary attitude reference system.

Q-Method Extended Kalman Filter

NASA Technical Reports Server (NTRS)

Zanetti, Renato; Ainscough, Thomas; Christian, John; Spanos, Pol D.

2012-01-01

A new algorithm is proposed that smoothly integrates non-linear estimation of the attitude quaternion using Davenport s q-method and estimation of non-attitude states through an extended Kalman filter. The new method is compared to a similar existing algorithm showing its similarities and differences. The validity of the proposed approach is confirmed through numerical simulations.

Notes on oscillator-like interactions of various spin relativistic particles

NASA Technical Reports Server (NTRS)

Dvoeglazov, Valeri V.; Delsolmesa, Antonio

1995-01-01

The equations for various spin particles with oscillator-like interactions are discussed in this talk. Topics discussed include: (1) comment on 'The Klein-Gordon Oscillator'; (2) the Dirac oscillator in quaternion form; (3) the Dirac-Dowker oscillator; (4) the Weinberg oscillator; and (5) note on the two-body Dirac oscillator.

Decentralized finite-time attitude synchronization for multiple rigid spacecraft via a novel disturbance observer.

PubMed

Zong, Qun; Shao, Shikai

2016-11-01

This paper investigates decentralized finite-time attitude synchronization for a group of rigid spacecraft by using quaternion with the consideration of environmental disturbances, inertia uncertainties and actuator saturation. Nonsingular terminal sliding mode (TSM) is used for controller design. Firstly, a theorem is proven that there always exists a kind of TSM that converges faster than fast terminal sliding mode (FTSM) for quaternion-descripted attitude control system. Controller with this kind of TSM has faster convergence and reduced computation than FTSM controller. Then, combining with an adaptive parameter estimation strategy, a novel terminal sliding mode disturbance observer is proposed. The proposed disturbance observer needs no upper bound information of the lumped uncertainties or their derivatives. On the basis of undirected topology and the disturbance observer, decentralized attitude synchronization control laws are designed and all attitude errors are ensured to converge to small regions in finite time. As for actuator saturation problem, an auxiliary variable is introduced and accommodated by the disturbance observer. Finally, simulation results are given and the effectiveness of the proposed control scheme is testified. Copyright © 2016. Published by Elsevier Ltd.

Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

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

Helmich-Paris, Benjamin, E-mail: b.helmichparis@vu.nl; Visscher, Lucas, E-mail: l.visscher@vu.nl; Repisky, Michal, E-mail: michal.repisky@uit.no

2016-07-07

We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate themore » effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.« less

Simultaneous quaternion estimation (QUEST) and bias determination

NASA Technical Reports Server (NTRS)

Markley, F. Landis

1989-01-01

Tests of a new method for the simultaneous estimation of spacecraft attitude and sensor biases, based on a quaternion estimation algorithm minimizing Wahba's loss function are presented. The new method is compared with a conventional batch least-squares differential correction algorithm. The estimates are based on data from strapdown gyros and star trackers, simulated with varying levels of Gaussian noise for both inertially-fixed and Earth-pointing reference attitudes. Both algorithms solve for the spacecraft attitude and the gyro drift rate biases. They converge to the same estimates at the same rate for inertially-fixed attitude, but the new algorithm converges more slowly than the differential correction for Earth-pointing attitude. The slower convergence of the new method for non-zero attitude rates is believed to be due to the use of an inadequate approximation for a partial derivative matrix. The new method requires about twice the computational effort of the differential correction. Improving the approximation for the partial derivative matrix in the new method is expected to improve its convergence at the cost of increased computational effort.

Rigid Body Rate Inference from Attitude Variation

NASA Technical Reports Server (NTRS)

Bar-Itzhack, I. Y.; Harman, Richard R.; Thienel, Julie K.

2006-01-01

In this paper we research the extraction of the angular rate vector from attitude information without differentiation, in particular from quaternion measurements. We show that instead of using a Kalman filter of some kind, it is possible to obtain good rate estimates, suitable for spacecraft attitude control loop damping, using simple feedback loops, thereby eliminating the need for recurrent covariance computation performed when a Kalman filter is used. This considerably simplifies the computations required for rate estimation in gyro-less spacecraft. Some interesting qualities of the Kalman filter gain are explored, proven and utilized. We examine two kinds of feedback loops, one with varying gain that is proportional to the well known Q matrix, which is computed using the measured quaternion, and the other type of feedback loop is one with constant coefficients. The latter type includes two kinds; namely, a proportional feedback loop, and a proportional-integral feedback loop. The various schemes are examined through simulations and their performance is compared. It is shown that all schemes are adequate for extracting the angular velocity at an accuracy suitable for control loop damping.

On the Extraction of Angular Velocity from Attitude Measurements

NASA Technical Reports Server (NTRS)

Bar-Itzhack, I. Y.; Harman, Richard R.; Thienel, Julie K.

2006-01-01

In this paper we research the extraction of the angular rate vector from attitude information without differentiation, in particular from quaternion measurements. We show that instead of using a Kalman filter of some kind, it is possible to obtain good rate estimates, suitable for spacecraft attitude control loop damping, using simple feedback loops, thereby eliminating the need for recurrent covariance computation performed when a Kalman filter is used. This considerably simplifies the computations required for rate estimation in gyro-less spacecraft. Some interesting qualities of the Kalman filter gain are explored, proven and utilized. We examine two kinds of feedback loops, one with varying gain that is proportional to the well known Q matrix, which is computed using the measured quaternion, and the other type of feedback loop is one with constant coefficients. The latter type includes two kinds; namely, a proportional feedback loop, and a proportional-integral feedback loop. The various schemes are examined through simulations and their performance is compared. It is shown that all schemes are adequate for extracting the angular velocity at an accuracy suitable for control loop damping.

A New Quaternion-Based Kalman Filter for Real-Time Attitude Estimation Using the Two-Step Geometrically-Intuitive Correction Algorithm.

PubMed

Feng, Kaiqiang; Li, Jie; Zhang, Xiaoming; Shen, Chong; Bi, Yu; Zheng, Tao; Liu, Jun

2017-09-19

In order to reduce the computational complexity, and improve the pitch/roll estimation accuracy of the low-cost attitude heading reference system (AHRS) under conditions of magnetic-distortion, a novel linear Kalman filter, suitable for nonlinear attitude estimation, is proposed in this paper. The new algorithm is the combination of two-step geometrically-intuitive correction (TGIC) and the Kalman filter. In the proposed algorithm, the sequential two-step geometrically-intuitive correction scheme is used to make the current estimation of pitch/roll immune to magnetic distortion. Meanwhile, the TGIC produces a computed quaternion input for the Kalman filter, which avoids the linearization error of measurement equations and reduces the computational complexity. Several experiments have been carried out to validate the performance of the filter design. The results demonstrate that the mean time consumption and the root mean square error (RMSE) of pitch/roll estimation under magnetic disturbances are reduced by 45.9% and 33.8%, respectively, when compared with a standard filter. In addition, the proposed filter is applicable for attitude estimation under various dynamic conditions.

A New Quaternion-Based Kalman Filter for Real-Time Attitude Estimation Using the Two-Step Geometrically-Intuitive Correction Algorithm

PubMed Central

Feng, Kaiqiang; Li, Jie; Zhang, Xiaoming; Shen, Chong; Bi, Yu; Zheng, Tao; Liu, Jun

2017-01-01

In order to reduce the computational complexity, and improve the pitch/roll estimation accuracy of the low-cost attitude heading reference system (AHRS) under conditions of magnetic-distortion, a novel linear Kalman filter, suitable for nonlinear attitude estimation, is proposed in this paper. The new algorithm is the combination of two-step geometrically-intuitive correction (TGIC) and the Kalman filter. In the proposed algorithm, the sequential two-step geometrically-intuitive correction scheme is used to make the current estimation of pitch/roll immune to magnetic distortion. Meanwhile, the TGIC produces a computed quaternion input for the Kalman filter, which avoids the linearization error of measurement equations and reduces the computational complexity. Several experiments have been carried out to validate the performance of the filter design. The results demonstrate that the mean time consumption and the root mean square error (RMSE) of pitch/roll estimation under magnetic disturbances are reduced by 45.9% and 33.8%, respectively, when compared with a standard filter. In addition, the proposed filter is applicable for attitude estimation under various dynamic conditions. PMID:28925979

Global exponential stability of octonion-valued neural networks with leakage delay and mixed delays.

PubMed

Popa, Călin-Adrian

2018-06-08

This paper discusses octonion-valued neural networks (OVNNs) with leakage delay, time-varying delays, and distributed delays, for which the states, weights, and activation functions belong to the normed division algebra of octonions. The octonion algebra is a nonassociative and noncommutative generalization of the complex and quaternion algebras, but does not belong to the category of Clifford algebras, which are associative. In order to avoid the nonassociativity of the octonion algebra and also the noncommutativity of the quaternion algebra, the Cayley-Dickson construction is used to decompose the OVNNs into 4 complex-valued systems. By using appropriate Lyapunov-Krasovskii functionals, with double and triple integral terms, the free weighting matrix method, and simple and double integral Jensen inequalities, delay-dependent criteria are established for the exponential stability of the considered OVNNs. The criteria are given in terms of complex-valued linear matrix inequalities, for two types of Lipschitz conditions which are assumed to be satisfied by the octonion-valued activation functions. Finally, two numerical examples illustrate the feasibility, effectiveness, and correctness of the theoretical results. Copyright © 2018 Elsevier Ltd. All rights reserved.

Agate Beach BOBr Processed Breaking Wave Data

DOE Data Explorer

Adam C Brown

2013-10-31

This data was recorded of the coast of Newport, OR at Agate Beach in the surf zone. The data was recorded by a 9dof inertial measurement unit and consists of a timestamp, quaternion orientation, acceleration vector, rotation vector, and magnetic vector. The acceleration, rotation, and magnetic vectors have all been corrected back to a North East Down reference frame.

Obtaining orthotropic elasticity tensor using entries zeroing method.

NASA Astrophysics Data System (ADS)

Gierlach, Bartosz; Danek, Tomasz

2017-04-01

A generally anisotropic elasticity tensor obtained from measurements can be represented by a tensor belonging to one of eight material symmetry classes. Knowledge of symmetry class and orientation is helpful for describing physical properties of a medium. For each non-trivial symmetry class except isotropic this problem is nonlinear. A common method of obtaining effective tensor is a choosing its non-trivial symmetry class and minimizing Frobenius norm between measured and effective tensor in the same coordinate system. Global optimization algorithm has to be used to determine the best rotation of a tensor. In this contribution, we propose a new approach to obtain optimal tensor, with the assumption that it is orthotropic (or at least has a similar shape to the orthotropic one). In orthotropic form tensor 24 out of 36 entries are zeros. The idea is to minimize the sum of squared entries which are supposed to be equal to zero through rotation calculated with optimization algorithm - in this case Particle Swarm Optimization (PSO) algorithm. Quaternions were used to parametrize rotations in 3D space to improve computational efficiency. In order to avoid a choice of local minima we apply PSO several times and only if we obtain similar results for the third time we consider it as a correct value and finish computations. To analyze obtained results Monte-Carlo method was used. After thousands of single runs of PSO optimization, we obtained values of quaternion parts and plot them. Points concentrate in several points of the graph following the regular pattern. It suggests the existence of more complex symmetry in the analyzed tensor. Then thousands of realizations of generally anisotropic tensor were generated - each tensor entry was replaced with a random value drawn from normal distribution having a mean equal to measured tensor entry and standard deviation of the measurement. Each of these tensors was subject of PSO based optimization delivering quaternion for optimal rotation. Computations were parallelized with OpenMP to decrease computational time what enables different tensors to be processed by different threads. As a result the distributions of rotated tensor entries values were obtained. For the entries which were to be zeroed we can observe almost normal distributions having mean equal to zero or sum of two normal distributions having inverse means. Non-zero entries represent different distributions with two or three maxima. Analysis of obtained results shows that described method produces consistent values of quaternions used to rotate tensors. Despite of less complex target function in a process of optimization in comparison to common approach, entries zeroing method provides results which can be applied to obtain an orthotropic tensor with good reliability. Modification of the method can produce also a tool for obtaining effective tensors belonging to another symmetry classes. This research was supported by the Polish National Science Center under contract No. DEC-2013/11/B/ST10/0472.

STS (Space Transportation System) Task Simulator.

DTIC Science & Technology

1985-08-15

3 Clohessy - Wiltshire Coordinate System • • -1 1- .M 1°... "p ’. -. .’- 0 . _ -~:Q ~. ... . .o. ., 1. INTRODUCTION The Space Transportation System...motion is obtained by applying the Clohessy - Wiltshire equations for terminal rendezvous/docking with the earth modeled as a uni- form sphere...rotational accelerations to the present quaternions. The Clohessy - Wiltshire equations for terminal rendezvous/dockinq are used to model orbital drift

Fine Pointing of Military Spacecraft

DTIC Science & Technology

2007-03-01

estimate is high. But feedback controls are attempting to fix the attitude at the next time step with error based on the previous time step without using ...52 a. Stability Analysis Consider not using the reference trajectory in the feedback signal. The previous stability proof (Refs.[43],[46]) are no... robust steering law and quaternion feedback control [52]. TASS2 has center-of-gravity offset disturbance that must be countered by the three CMG

Miniature Rotorcraft Flight Control Stabilization System

DTIC Science & Technology

2008-05-30

The first algorithm is based on the well known QUEST algorithm used for spacecraft and satellites. Due to large vibration in sensors a pseudo...for spacecraft and satellites. Due to large vibration in sensors a pseudo-measurement is developed from gyroscope measurements and rotational...using any valid set of orientation map. Note, in Eq. (6) Euler angles were used to describe . A common alternative to Euler angles is a quaternion

System Identification and Automatic Mass Balancing of Ground-Based Three-Axis Spacecraft Simulator

DTIC Science & Technology

2006-08-01

commanded torque to move away from these singularity points. The introduction of this error may not degrade the performance for large slew angle ...trajectory has been generated and quaternion feedback control has been implemented for reference trajectory tracking. The testbed was reasonably well...System Identification and Automatic Mass Balancing of Ground-Based Three-Axis Spacecraft Simulator Jae-Jun Kim∗ and Brij N. Agrawal † Department of

A Personal Inertial Navigation System Based on Multiple Distributed, Nine-Degrees-Of-Freedom, Inertial Measurement Units

DTIC Science & Technology

2016-12-01

based complementary filter developed at the Naval Postgraduate School, is developed. The performance of a consumer-grade nine-degrees-of-freedom IMU...measurement unit, complementary filter , gait phase detection, zero velocity update, MEMS, IMU, AHRS, GPS denied, distributed sensor, virtual sensor...algorithm and quaternion-based complementary filter developed at the Naval Postgraduate School, is developed. The performance of a consumer-grade nine

DYMAFLEX: DYnamic Manipulation FLight EXperiment

DTIC Science & Technology

2013-09-03

thrust per nozzle and minimize propellant mass and tank mass. This study compared carbon dioxide, nitrous oxide, and R134-A. These results were...equations of mo- tion of a space manipulator, showing their top- level, matrix- vector representation to be of iden- tical form to those of a fixed-base...the system inertia matrix, q is the po- sition state vector (consisting of the manipulator joint angles θ, spacecraft attitude quaternion, and

Test spaces and characterizations of quadratic spaces

NASA Astrophysics Data System (ADS)

Dvurečenskij, Anatolij

1996-10-01

We show that a test space consisting of nonzero vectors of a quadratic space E and of the set all maximal orthogonal systems in E is algebraic iff E is Dacey or, equivalently, iff E is orthomodular. In addition, we present another orthomodularity criteria of quadratic spaces, and using the result of Solèr, we show that they can imply that E is a real, complex, or quaternionic Hilbert space.

MMU (Manned Maneuvering Unit) Task Simulator.

DTIC Science & Technology

1986-01-15

motion is obtained by applying the Clohessy - Wiltshire equations for terminal rendezvous/docking with the earth modeled as a uniform sphere " (Aj<endix...quaternions. The Clohessy - Wiltshire equations for terminal rendezvous/docking are used to model orbital drift. These are linearized equations of...system is the Clohessy - Wiltshire system, centered at the target and described in detail in Appendix A. The earth’s vector list is scaled at one distance

New fundamental parameters for attitude representation

NASA Astrophysics Data System (ADS)

Patera, Russell P.

2017-08-01

A new attitude parameter set is developed to clarify the geometry of combining finite rotations in a rotational sequence and in combining infinitesimal angular increments generated by angular rate. The resulting parameter set of six Pivot Parameters represents a rotation as a great circle arc on a unit sphere that can be located at any clocking location in the rotation plane. Two rotations are combined by linking their arcs at either of the two intersection points of the respective rotation planes. In a similar fashion, linking rotational increments produced by angular rate is used to derive the associated kinematical equations, which are linear and have no singularities. Included in this paper is the derivation of twelve Pivot Parameter elements that represent all twelve Euler Angle sequences, which enables efficient conversions between Pivot Parameters and any Euler Angle sequence. Applications of this new parameter set include the derivation of quaternions and the quaternion composition rule, as well as, the derivation of the analytical solution to time dependent coning motion. The relationships between Pivot Parameters and traditional parameter sets are included in this work. Pivot Parameters are well suited for a variety of aerospace applications due to their effective composition rule, singularity free kinematic equations, efficient conversion to and from Euler Angle sequences and clarity of their geometrical foundation.

REQUEST: A Recursive QUEST Algorithm for Sequential Attitude Determination

NASA Technical Reports Server (NTRS)

Bar-Itzhack, Itzhack Y.

1996-01-01

In order to find the attitude of a spacecraft with respect to a reference coordinate system, vector measurements are taken. The vectors are pairs of measurements of the same generalized vector, taken in the spacecraft body coordinates, as well as in the reference coordinate system. We are interested in finding the best estimate of the transformation between these coordinate system.s The algorithm called QUEST yields that estimate where attitude is expressed by a quarternion. Quest is an efficient algorithm which provides a least squares fit of the quaternion of rotation to the vector measurements. Quest however, is a single time point (single frame) batch algorithm, thus measurements that were taken at previous time points are discarded. The algorithm presented in this work provides a recursive routine which considers all past measurements. The algorithm is based on on the fact that the, so called, K matrix, one of whose eigenvectors is the sought quaternion, is linerly related to the measured pairs, and on the ability to propagate K. The extraction of the appropriate eigenvector is done according to the classical QUEST algorithm. This stage, however, can be eliminated, and the computation simplified, if a standard eigenvalue-eigenvector solver algorithm is used. The development of the recursive algorithm is presented and illustrated via a numerical example.

Development of a Star Tracker-Based Reference System for Accurate Attitude Determination of a Simulated Spacecraft

DTIC Science & Technology

2012-03-01

the mathematical pretext for quaternions, which summarizes as: In three- dimensional space , any displacement of a rigid body such that a ...for the patch board was selected, with a uniform 8 mm spacing between LED centers. Figure 33 is schematic of the patch board layout, and Fig. 34 shows...attitude determination since the dawn of the space age. Without accurate attitude determination, a “Lost- in-

Creating 3, 4, 6 and 10-dimensional spacetime from W3 symmetry

NASA Astrophysics Data System (ADS)

Ambjørn, J.; Watabiki, Y.

2017-07-01

We describe a model where breaking of W3 symmetry will lead to the emergence of time and subsequently of space. Surprisingly the simplest such models which lead to higher dimensional spacetimes are based on the four ;magical; Jordan algebras of 3 × 3 Hermitian matrices with real, complex, quaternion and octonion entries, respectively. The simplest symmetry breaking leads to universes with spacetime dimensions 3, 4, 6, and 10.

A Simplified Quaternion-Based Algorithm for Orientation Estimation From Earth Gravity and Magnetic Field Measurements

DTIC Science & Technology

2008-03-01

1215 Jefferson Davis Highway, Suite 1204, Arlington VA 22202-4302. Respondents should be aware that notwithstanding any other provision of law , no...AUTHOR( S ) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) Naval Postgraduate School...Department of Electrical and Computer Engineering,Monterey,CA,93943 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME( S

Guidance/Navigation Requirements Study Final Report. Volume III. Appendices

DTIC Science & Technology

1978-04-30

shown Figure G-2. The free-flight simulation program FFSIM uses quaternions to calculate the body attitude as a function of time. To calculate the...the lack of open-loop damping, the existence of a feedback controller which will stabilize the closed-loon system depends upon the satisfaction of a...re-entry vehicle has dynamic pecularitles which tend to discourage the use of "linear-quadratic" feedback regulators in guidance. The disadvantageous

Modern Inertial and Satellite Navigation Systems

DTIC Science & Technology

1994-05-02

rotor spins, the harder it is to disturb it. This technique is called spin stabilization and it is commonly used for communication satellites. Moder... using a generalization of the complex number called the quaternion . Modem Inertial and Satellite Navigation Systems page 32. 4.2 Exdrson in Pincile...length by an integer. Positive feedback arises from the use of a lasing medium, a gas, liquid, crystal ions, or any of a number of other possibilities

Mathematics and Physics Studies - Multi-Project Support

DTIC Science & Technology

1989-09-02

measurements). A quaternion form is used to represent any finite rotation of a rigid body as a rotation through some angle about a fixed axis (Euler’s...many - contractual issues. Drs. Edmond Murad (GL/PHK) and Roger Van Tassel (GL/OPB) provided important suggestions and feedback on the data processing...Orbital Maneuvering System (OMS) and the Reaction Control System (RCS) resemble plumes produced by targets/events of interest. Measurements from the IBSS

Simulation of Spacecraft Damage Tolerance and Adaptive Controls

DTIC Science & Technology

2013-06-01

completed this without it. I thank him from the bottom of my heart . xviii THIS PAGE INTENTIONALLY LEFT BLANK 1 I. INTRODUCTION A. BACKGROUND...resulting point, and [ ]*Q is the conjugate quaternion (MathWorks, 2013). When Equation 19 is expanded, the following DCM can be extracted (Wie...E., (1999). Spacecraft design and sizing. In J. Wertz & W. Larson (Eds.), Space mission analysis and design (3rd ed.) (pp. 301–351). Hawthorne , CA

Attitude analysis in Flatland: The plane truth

NASA Technical Reports Server (NTRS)

Shuster, Malcolm D.

1993-01-01

Many results in attitude analysis are still meaningful when the attitude is restricted to rotations about a single axis. Such a picture corresponds to attitude analysis in the Euclidean plane. The present report formalizes the representation of attitude in the plane and applies it to some well-known problems. In particular, we study the connection of the 'additive' and 'multiplicative' formulations of the differential corrector for the quaternion in its two-dimensional setting.

An elastic-plastic contact model for line contact structures

NASA Astrophysics Data System (ADS)

Zhu, Haibin; Zhao, Yingtao; He, Zhifeng; Zhang, Ruinan; Ma, Shaopeng

2018-06-01

Although numerical simulation tools are now very powerful, the development of analytical models is very important for the prediction of the mechanical behaviour of line contact structures for deeply understanding contact problems and engineering applications. For the line contact structures widely used in the engineering field, few analytical models are available for predicting the mechanical behaviour when the structures deform plastically, as the classic Hertz's theory would be invalid. Thus, the present study proposed an elastic-plastic model for line contact structures based on the understanding of the yield mechanism. A mathematical expression describing the global relationship between load history and contact width evolution of line contact structures was obtained. The proposed model was verified through an actual line contact test and a corresponding numerical simulation. The results confirmed that this model can be used to accurately predict the elastic-plastic mechanical behaviour of a line contact structure.

GPU-Q-J, a fast method for calculating root mean square deviation (RMSD) after optimal superposition

PubMed Central

2011-01-01

Background Calculation of the root mean square deviation (RMSD) between the atomic coordinates of two optimally superposed structures is a basic component of structural comparison techniques. We describe a quaternion based method, GPU-Q-J, that is stable with single precision calculations and suitable for graphics processor units (GPUs). The application was implemented on an ATI 4770 graphics card in C/C++ and Brook+ in Linux where it was 260 to 760 times faster than existing unoptimized CPU methods. Source code is available from the Compbio website http://software.compbio.washington.edu/misc/downloads/st_gpu_fit/ or from the author LHH. Findings The Nutritious Rice for the World Project (NRW) on World Community Grid predicted de novo, the structures of over 62,000 small proteins and protein domains returning a total of 10 billion candidate structures. Clustering ensembles of structures on this scale requires calculation of large similarity matrices consisting of RMSDs between each pair of structures in the set. As a real-world test, we calculated the matrices for 6 different ensembles from NRW. The GPU method was 260 times faster that the fastest existing CPU based method and over 500 times faster than the method that had been previously used. Conclusions GPU-Q-J is a significant advance over previous CPU methods. It relieves a major bottleneck in the clustering of large numbers of structures for NRW. It also has applications in structure comparison methods that involve multiple superposition and RMSD determination steps, particularly when such methods are applied on a proteome and genome wide scale. PMID:21453553

Optimal contact definition for reconstruction of contact maps.

PubMed

Duarte, Jose M; Sathyapriya, Rajagopal; Stehr, Henning; Filippis, Ioannis; Lappe, Michael

2010-05-27

Contact maps have been extensively used as a simplified representation of protein structures. They capture most important features of a protein's fold, being preferred by a number of researchers for the description and study of protein structures. Inspired by the model's simplicity many groups have dedicated a considerable amount of effort towards contact prediction as a proxy for protein structure prediction. However a contact map's biological interest is subject to the availability of reliable methods for the 3-dimensional reconstruction of the structure. We use an implementation of the well-known distance geometry protocol to build realistic protein 3-dimensional models from contact maps, performing an extensive exploration of many of the parameters involved in the reconstruction process. We try to address the questions: a) to what accuracy does a contact map represent its corresponding 3D structure, b) what is the best contact map representation with regard to reconstructability and c) what is the effect of partial or inaccurate contact information on the 3D structure recovery. Our results suggest that contact maps derived from the application of a distance cutoff of 9 to 11A around the Cbeta atoms constitute the most accurate representation of the 3D structure. The reconstruction process does not provide a single solution to the problem but rather an ensemble of conformations that are within 2A RMSD of the crystal structure and with lower values for the pairwise average ensemble RMSD. Interestingly it is still possible to recover a structure with partial contact information, although wrong contacts can lead to dramatic loss in reconstruction fidelity. Thus contact maps represent a valid approximation to the structures with an accuracy comparable to that of experimental methods. The optimal contact definitions constitute key guidelines for methods based on contact maps such as structure prediction through contacts and structural alignments based on maximum contact map overlap.

Optimal contact definition for reconstruction of Contact Maps

PubMed Central

2010-01-01

Background Contact maps have been extensively used as a simplified representation of protein structures. They capture most important features of a protein's fold, being preferred by a number of researchers for the description and study of protein structures. Inspired by the model's simplicity many groups have dedicated a considerable amount of effort towards contact prediction as a proxy for protein structure prediction. However a contact map's biological interest is subject to the availability of reliable methods for the 3-dimensional reconstruction of the structure. Results We use an implementation of the well-known distance geometry protocol to build realistic protein 3-dimensional models from contact maps, performing an extensive exploration of many of the parameters involved in the reconstruction process. We try to address the questions: a) to what accuracy does a contact map represent its corresponding 3D structure, b) what is the best contact map representation with regard to reconstructability and c) what is the effect of partial or inaccurate contact information on the 3D structure recovery. Our results suggest that contact maps derived from the application of a distance cutoff of 9 to 11Å around the Cβ atoms constitute the most accurate representation of the 3D structure. The reconstruction process does not provide a single solution to the problem but rather an ensemble of conformations that are within 2Å RMSD of the crystal structure and with lower values for the pairwise average ensemble RMSD. Interestingly it is still possible to recover a structure with partial contact information, although wrong contacts can lead to dramatic loss in reconstruction fidelity. Conclusions Thus contact maps represent a valid approximation to the structures with an accuracy comparable to that of experimental methods. The optimal contact definitions constitute key guidelines for methods based on contact maps such as structure prediction through contacts and structural alignments based on maximum contact map overlap. PMID:20507547

Inferring Epidemic Contact Structure from Phylogenetic Trees

PubMed Central

Leventhal, Gabriel E.; Kouyos, Roger; Stadler, Tanja; von Wyl, Viktor; Yerly, Sabine; Böni, Jürg; Cellerai, Cristina; Klimkait, Thomas; Günthard, Huldrych F.; Bonhoeffer, Sebastian

2012-01-01

Contact structure is believed to have a large impact on epidemic spreading and consequently using networks to model such contact structure continues to gain interest in epidemiology. However, detailed knowledge of the exact contact structure underlying real epidemics is limited. Here we address the question whether the structure of the contact network leaves a detectable genetic fingerprint in the pathogen population. To this end we compare phylogenies generated by disease outbreaks in simulated populations with different types of contact networks. We find that the shape of these phylogenies strongly depends on contact structure. In particular, measures of tree imbalance allow us to quantify to what extent the contact structure underlying an epidemic deviates from a null model contact network and illustrate this in the case of random mixing. Using a phylogeny from the Swiss HIV epidemic, we show that this epidemic has a significantly more unbalanced tree than would be expected from random mixing. PMID:22412361

Taking advantage of local structure descriptors to analyze interresidue contacts in protein structures and protein complexes.

PubMed

Martin, Juliette; Regad, Leslie; Etchebest, Catherine; Camproux, Anne-Claude

2008-11-15

Interresidue protein contacts in proteins structures and at protein-protein interface are classically described by the amino acid types of interacting residues and the local structural context of the contact, if any, is described using secondary structures. In this study, we present an alternate analysis of interresidue contact using local structures defined by the structural alphabet introduced by Camproux et al. This structural alphabet allows to describe a 3D structure as a sequence of prototype fragments called structural letters, of 27 different types. Each residue can then be assigned to a particular local structure, even in loop regions. The analysis of interresidue contacts within protein structures defined using Voronoï tessellations reveals that pairwise contact specificity is greater in terms of structural letters than amino acids. Using a simple heuristic based on specificity score comparison, we find that 74% of the long-range contacts within protein structures are better described using structural letters than amino acid types. The investigation is extended to a set of protein-protein complexes, showing that the similar global rules apply as for intraprotein contacts, with 64% of the interprotein contacts best described by local structures. We then present an evaluation of pairing functions integrating structural letters to decoy scoring and show that some complexes could benefit from the use of structural letter-based pairing functions.

Mixed Nash equilibria in Eisert-Lewenstein-Wilkens (ELW) games

NASA Astrophysics Data System (ADS)

Bolonek-Lasoń, Katarzyna; Kosiński, Piotr

2017-01-01

The classification of all mixed Nash equilibria for the original ELW game is presented. It is based on the quaternionic form of the game proposed by Landsburg (Proc. Am. Math. Soc. 139 (2011), 4423; Rochester Working Paper No 524 (2006); Wiley Encyclopedia of Operations Research and Management Science (Wiley and Sons, New York, (2011)). This approach allows to reduce the problem of finding the Nash equilibria to relatively simple analysis of the extrema of certain quadratic forms.

Satellite Relative Motion Control for MIT’s SPHERES Program

DTIC Science & Technology

2012-03-01

rates of the SPHERES position and velocity are modeled. Section 2.5.2 illustrates how to deter- mine the quaternions and the angular rates to...velocity components are determined following the process described in Section 2.4.5. Once the feedback gains are deter- mined the switch line of the bang...Using Lasers in Space: Laser Orbital Debris Removal and Asteroid Deflection,” 2000. 17. Rogers, M. E., “Lasers in Space: Technological Options for

Six Dimensional Trajectory Solver for Autonomous Proximity Operations

DTIC Science & Technology

1990-05-01

Clohessy - Wiltshire equations for relative position and quaternions for relative attitude are used to define a state space relationship between the initial...0 (2.23) y + 2nX = 0 (2.24) 2+ n2 z = 0 (2.25) which are commonly referred to as the Clohessy - Wiltshire equations. Although 11 the equations are...attributed to W. Clohessy and R. Wiltshire for their paper in the September 1960 issue of the Journal of Aerospace Science, another author developed the

Lattice Simulations in MOM v.s. Schroedinger Functional Scheme and Triality

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

Furui, Sadataka

The QCD beta function extracted from polarized electron proton scattering data obtained at JLab and the lattice simulation in the MOM scheme suggest that the critical flavor number for the presence of IR fixed point is about three. In analyses of Schroedinger functional scheme, however, critical flavor number for the presence of IR fixed point and the conformality is larger than nine.In the QCD analysis, when quarks are expressed in quaternion basis, the product of quaternions are expressed by octonions and the octonion posesses the triality symmetry. Since the triality has the effect of multiplying the falvor number, it couldmore » explain the apparent large critical flavor number in the Schroedinger functinal scheme. In this scheme, larger degrees of freedom in adjusting data of different scales on the boundary are necessary than in the MOM scheme.In weak interaction, there is no clear lepton-flavor violation except in the neutrino oscillation. If the triality is assigned to the lepton flavors(e,{mu} and {tau}) and they are assumed to be exact symmetry, or the electro-magnetic interaction preserves tiality, but the strong interaction is triality blind, there is a possibility of explaining the neutrino oscillation through triality mixing of the matter field.The self energy of gluons, ghost and gauge bosons due to self-dual gauge fields and leptonic decays of B,D and D{sub s} mesons are discussed.« less

Development of advanced control schemes for telerobot manipulators

NASA Technical Reports Server (NTRS)

Nguyen, Charles C.; Zhou, Zhen-Lei

1991-01-01

To study space applications of telerobotics, Goddard Space Flight Center (NASA) has recently built a testbed composed mainly of a pair of redundant slave arms having seven degrees of freedom and a master hand controller system. The mathematical developments required for the computerized simulation study and motion control of the slave arms are presented. The slave arm forward kinematic transformation is presented which is derived using the D-H notation and is then reduced to its most simplified form suitable for real-time control applications. The vector cross product method is then applied to obtain the slave arm Jacobian matrix. Using the developed forward kinematic transformation and quaternions representation of the slave arm end-effector orientation, computer simulation is conducted to evaluate the efficiency of the Jacobian in converting joint velocities into Cartesian velocities and to investigate the accuracy of the Jacobian pseudo-inverse for various sampling times. In addition, the equivalence between Cartesian velocities and quaternion is also verified using computer simulation. The motion control of the slave arm is examined. Three control schemes, the joint-space adaptive control scheme, the Cartesian adaptive control scheme, and the hybrid position/force control scheme are proposed for controlling the motion of the slave arm end-effector. Development of the Cartesian adaptive control scheme is presented and some preliminary results of the remaining control schemes are presented and discussed.

Micropulsed Plasma Thrusters for Attitude Control of a Low-Earth-Orbiting CubeSat

NASA Technical Reports Server (NTRS)

Gatsonis, Nikolaos A.; Lu, Ye; Blandino, John; Demetriou, Michael A.; Paschalidis, Nicholas

2016-01-01

This study presents a 3-Unit CubeSat design with commercial-off-the-shelf hardware, Teflon-fueled micropulsed plasma thrusters, and an attitude determination and control approach. The micropulsed plasma thruster is sized by the impulse bit and pulse frequency required for continuous compensation of expected maximum disturbance torques at altitudes between 400 and 1000 km, as well as to perform stabilization of up to 20 deg /s and slew maneuvers of up to 180 deg. The study involves realistic power constraints anticipated on the 3-Unit CubeSat. Attitude estimation is implemented using the q method for static attitude determination of the quaternion using pairs of the spacecraft-sun and magnetic-field vectors. The quaternion estimate and the gyroscope measurements are used with an extended Kalman filter to obtain the attitude estimates. Proportional-derivative control algorithms use the static attitude estimates in order to calculate the torque required to compensate for the disturbance torques and to achieve specified stabilization and slewing maneuvers or combinations. The controller includes a thruster-allocation method, which determines the optimal utilization of the available thrusters and introduces redundancy in case of failure. Simulation results are presented for a 3-Unit CubeSat under detumbling, pointing, and pointing and spinning scenarios, as well as comparisons between the thruster-allocation and the paired-firing methods under thruster failure.

CONFOLD2: improved contact-driven ab initio protein structure modeling.

PubMed

Adhikari, Badri; Cheng, Jianlin

2018-01-25

Contact-guided protein structure prediction methods are becoming more and more successful because of the latest advances in residue-residue contact prediction. To support contact-driven structure prediction, effective tools that can quickly build tertiary structural models of good quality from predicted contacts need to be developed. We develop an improved contact-driven protein modelling method, CONFOLD2, and study how it may be effectively used for ab initio protein structure prediction with predicted contacts as input. It builds models using various subsets of input contacts to explore the fold space under the guidance of a soft square energy function, and then clusters the models to obtain the top five models. CONFOLD2 obtains an average reconstruction accuracy of 0.57 TM-score for the 150 proteins in the PSICOV contact prediction dataset. When benchmarked on the CASP11 contacts predicted using CONSIP2 and CASP12 contacts predicted using Raptor-X, CONFOLD2 achieves a mean TM-score of 0.41 on both datasets. CONFOLD2 allows to quickly generate top five structural models for a protein sequence when its secondary structures and contacts predictions at hand. The source code of CONFOLD2 is publicly available at https://github.com/multicom-toolbox/CONFOLD2/ .

Rescore protein-protein docked ensembles with an interface contact statistics.

PubMed

Mezei, Mihaly

2017-02-01

The recently developed statistical measure for the type of residue-residue contact at protein complex interfaces, based on a parameter-free definition of contact, has been used to define a contact score that is correlated with the likelihood of correctness of a proposed complex structure. Comparing the proposed contact scores on the native structure and on a set of model structures the proposed measure was shown to generally favor the native structure but in itself was not able to reliably score the native structure to be the best. Adjusting the scores of redocking experiments with the contact score showed that the adjusted score was able to move up the ranking of the native-like structure among the proposed complexes when the native-like was not ranked the best by the respective program. Tests on docking of unbound proteins compared the contact scores of the complexes with the contact score of the crystal structure again showing the tendency of the contact score to favor native-like conformations. The possibility of using the contact score to improve the determination of biological dimers in a crystal structure was also explored. Proteins 2017; 85:235-241. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Vectors and Rotations in 3-Dimensions: Vector Algebra for the C++ Programmer

DTIC Science & Technology

2016-12-01

Proving Ground, MD 21005-5068 This report describes 2 C++ classes: a Vector class for performing vector algebra in 3-dimensional space ( 3D ) and a Rotation...class for performing rotations of vectors in 3D . Each class is self-contained in a single header file (Vector.h and Rotation.h) so that a C...vector, rotation, 3D , quaternion, C++ tools, rotation sequence, Euler angles, yaw, pitch, roll, orientation 98 Richard Saucier 410-278-6721Unclassified

Flight Simulation of a 3 gram Autonomous Glider

DTIC Science & Technology

2006-05-24

are referred to as S(t) and Sdot(t), respectively. The rotational direction is in a 4 element vector q(t), a quaternion that captures the 3 degrees... angles of attack from 30º to -30º, and the lift and drag forces were measured at each angle . Figure 3 shows the results of these measurements. As...expected, within a certain range the lift forces vary roughly linearly versus angle of attack. The drag forces increase more dramatically as one

Estimation of Human Foot Motion During Normal Walking Using Inertial and Magnetic Sensor Measurements

DTIC Science & Technology

2012-07-01

and foot dynamics,” IEEE Trans. Biomed. Eng., vol. 54, no. 5, pp. 895–902, May 2007. [25] R. G. Brown and P. Y. C. Hwang , Introduction to Random Signals...the direction of displacement or position. In [18], Sabatini described a quaternion-based extended Kalman filter for determining the orientation of a...position. In [19], Foxlin used a foot-mounted IMMU from Inter- Sense incorporating the ZVU and an extended Kalman filter to achieve error performance

Changes in concepts of time from Aristotle to Einstein

NASA Astrophysics Data System (ADS)

Sachs, Mendel

1996-03-01

The meaning of time and motion is discussed, at first tracing conceptual changes from Aristotle to Galileo/Newton to Einstein. Different views of ‘time’ in 20th century physics are then examined, with primary focus on the revolutionary changes that came with the theory of general relativity. Implications of its new view in all domains of physics are discussed — from elementary particles to cosmology. The special role of Hamilton's quaternion calculus in equations of motion in general relativity is shown.

On geodesics of the rotation group SO(3)

NASA Astrophysics Data System (ADS)

Novelia, Alyssa; O'Reilly, Oliver M.

2015-11-01

Geodesics on SO(3) are characterized by constant angular velocity motions and as great circles on a three-sphere. The former interpretation is widely used in optometry and the latter features in the interpolation of rotations in computer graphics. The simplicity of these two disparate interpretations belies the complexity of the corresponding rotations. Using a quaternion representation for a rotation, we present a simple proof of the equivalence of the aforementioned characterizations and a straightforward method to establish features of the corresponding rotations.

Combining Physicochemical and Evolutionary Information for Protein Contact Prediction

PubMed Central

Schneider, Michael; Brock, Oliver

2014-01-01

We introduce a novel contact prediction method that achieves high prediction accuracy by combining evolutionary and physicochemical information about native contacts. We obtain evolutionary information from multiple-sequence alignments and physicochemical information from predicted ab initio protein structures. These structures represent low-energy states in an energy landscape and thus capture the physicochemical information encoded in the energy function. Such low-energy structures are likely to contain native contacts, even if their overall fold is not native. To differentiate native from non-native contacts in those structures, we develop a graph-based representation of the structural context of contacts. We then use this representation to train an support vector machine classifier to identify most likely native contacts in otherwise non-native structures. The resulting contact predictions are highly accurate. As a result of combining two sources of information—evolutionary and physicochemical—we maintain prediction accuracy even when only few sequence homologs are present. We show that the predicted contacts help to improve ab initio structure prediction. A web service is available at http://compbio.robotics.tu-berlin.de/epc-map/. PMID:25338092

Convex decomposition techniques applied to handlebodies

NASA Astrophysics Data System (ADS)

Ortiz, Marcos A.

Contact structures on 3-manifolds are 2-plane fields satisfying a set of conditions. The study of contact structures can be traced back for over two-hundred years, and has been of interest to mathematicians such as Hamilton, Jacobi, Cartan, and Darboux. In the late 1900's, the study of these structures gained momentum as the work of Eliashberg and Bennequin described subtleties in these structures that could be used to find new invariants. In particular, it was discovered that contact structures fell into two classes: tight and overtwisted. While overtwisted contact structures are relatively well understood, tight contact structures remain an area of active research. One area of active study, in particular, is the classification of tight contact structures on 3-manifolds. This began with Eliashberg, who showed that the standard contact structure in real three-dimensional space is unique, and it has been expanded on since. Some major advancements and new techniques were introduced by Kanda, Honda, Etnyre, Kazez, Matic, and others. Convex decomposition theory was one product of these explorations. This technique involves cutting a manifold along convex surfaces (i.e. surfaces arranged in a particular way in relation to the contact structure) and investigating a particular set on these cutting surfaces to say something about the original contact structure. In the cases where the cutting surfaces are fairly nice, in some sense, Honda established a correspondence between information on the cutting surfaces and the tight contact structures supported by the original manifold. In this thesis, convex surface theory is applied to the case of handlebodies with a restricted class of dividing sets. For some cases, classification is achieved, and for others, some interesting patterns arise and are investigated.

Quaternion-based adaptive output feedback attitude control of spacecraft using Chebyshev neural networks.

PubMed

Zou, An-Min; Dev Kumar, Krishna; Hou, Zeng-Guang

2010-09-01

This paper investigates the problem of output feedback attitude control of an uncertain spacecraft. Two robust adaptive output feedback controllers based on Chebyshev neural networks (CNN) termed adaptive neural networks (NN) controller-I and adaptive NN controller-II are proposed for the attitude tracking control of spacecraft. The four-parameter representations (quaternion) are employed to describe the spacecraft attitude for global representation without singularities. The nonlinear reduced-order observer is used to estimate the derivative of the spacecraft output, and the CNN is introduced to further improve the control performance through approximating the spacecraft attitude motion. The implementation of the basis functions of the CNN used in the proposed controllers depends only on the desired signals, and the smooth robust compensator using the hyperbolic tangent function is employed to counteract the CNN approximation errors and external disturbances. The adaptive NN controller-II can efficiently avoid the over-estimation problem (i.e., the bound of the CNNs output is much larger than that of the approximated unknown function, and hence, the control input may be very large) existing in the adaptive NN controller-I. Both adaptive output feedback controllers using CNN can guarantee that all signals in the resulting closed-loop system are uniformly ultimately bounded. For performance comparisons, the standard adaptive controller using the linear parameterization of spacecraft attitude motion is also developed. Simulation studies are presented to show the advantages of the proposed CNN-based output feedback approach over the standard adaptive output feedback approach.

Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations.

PubMed

Chen, Po-Chia; Hologne, Maggy; Walker, Olivier

2017-03-02

Rotational diffusion (D rot ) is a fundamental property of biomolecules that contains information about molecular dimensions and solute-solvent interactions. While ab initio D rot prediction can be achieved by explicit all-atom molecular dynamics simulations, this is hindered by both computational expense and limitations in water models. We propose coarse-grained force fields as a complementary solution, and show that the MARTINI force field with elastic networks is sufficient to compute D rot in >10 proteins spanning 5-157 kDa. We also adopt a quaternion-based approach that computes D rot orientation directly from autocorrelations of best-fit rotations as used in, e.g., RMSD algorithms. Over 2 μs trajectories, isotropic MARTINI+EN tumbling replicates experimental values to within 10-20%, with convergence analyses suggesting a minimum sampling of >50 × τ theor to achieve sufficient precision. Transient fluctuations in anisotropic tumbling cause decreased precision in predictions of axisymmetric anisotropy and rhombicity, the latter of which cannot be precisely evaluated within 2000 × τ theor for GB3. Thus, we encourage reporting of axial decompositions D x , D y , D z to ease comparability between experiment and simulation. Where protein disorder is absent, we observe close replication of MARTINI+EN D rot orientations versus CHARMM22*/TIP3p and experimental data. This work anticipates the ab initio prediction of NMR-relaxation by combining coarse-grained global motions with all-atom local motions.

Design, analysis, and applications of cellular contact-aided compliant mechanisms

NASA Astrophysics Data System (ADS)

Mehta, Vipul

A new class of compliant mechanisms utilizing the benefits of cellular geometry and contact are addressed in this work. The design, analysis, fabrication and testing of such structures for high-strain and high-strength applications is the focus of the present research. Cellular structures have relatively good strength-to-weight ratios. They also have a higher strain capability than solid structures. Contact during deformation reduces failure-causing bending stresses through stress relief, thereby enabling such cellular structures to be stretched more than the corresponding structures without contact. Both analytical and numerical models are developed to represent one specific mechanism. Several candidate materials are investigated for such mechanisms. Although the allowable strain of all these materials is small, the overall strain of the contact-aided cellular mechanisms is at least an order of magnitude greater than that of the constitutive material. Application of contact to different materials yields an improvement in the global strain capacity by more than 100% relative to cellular structures without contact. Experiments are conducted to validate the models, and good agreement is found. Size optimization is carried out to maximize the stress relief and the overall strain. Two main applications are considered in the present work. One application consists of a morphing aircraft skin for adaptive structures. Different material models such as linearly elastic and multi-linear elastic are examined. For linearly elastic materials, contact-induced stress-relief is advantageous and for nonlinear elastic materials, reduction of transverse deflection due to contact is useful. The proposed contact-aided skin structure is compared with a cellular skin without contact. The contact mechanism helps to increase the morphing capacity while decreasing the structural mass. Using contact-aided cellular mechanisms, the global strain capability is increased by as much as 37%. For a fixed global strain, the optimum contact-aided structure is 15% lighter than an optimum non-contact structure. Another application involves investigation of meso-scaled cellular structures. Two different materials are considered---nanoparticulate zirconia and particulate stainless steel. The lost mold rapid infiltration forming process is utilized to fabricate free standing cellular mechanisms. The analytical model is employed to address the tradeoffs between the manufacturing constraints and to design suitable contact-aided cellular mechanisms. A custom rig is developed to test these meso-scaled parts. Force displacement characteristics are experimentally obtained and compared against those found using the analytical model. Topology optimization tools are applied to the design of compliant cellular mechanisms with and without a contact mechanism. A two-step procedure is developed. For cellular structures without contact, an inverse homogenization method is employed. The compliant mechanism is optimized to yield prescribed elasticity coefficients and achieve a large effective elastic strain. To implement a contact mechanism in the second step, the continuum model of a non-contact structure is converted into a frame model. Only the non-overlapping designs are investigated exhaustively for stress relief. A differential evolution optimizer is used to maximize the stress relief. Four cell topologies are found for different effective properties corresponding to different structural requirements. For each such topology, a contact mechanism is devised that demonstrates stress relief. One such topology resulted a stress relief as high as 36%.

Attitude output feedback control for rigid spacecraft with finite-time convergence.

PubMed

Hu, Qinglei; Niu, Guanglin

2017-09-01

The main problem addressed is the quaternion-based attitude stabilization control of rigid spacecraft without angular velocity measurements in the presence of external disturbances and reaction wheel friction as well. As a stepping stone, an angular velocity observer is proposed for the attitude control of a rigid body in the absence of angular velocity measurements. The observer design ensures finite-time convergence of angular velocity state estimation errors irrespective of the control torque or the initial attitude state of the spacecraft. Then, a novel finite-time control law is employed as the controller in which the estimate of the angular velocity is used directly. It is then shown that the observer and the controlled system form a cascaded structure, which allows the application of the finite-time stability theory of cascaded systems to prove the finite-time stability of the closed-loop system. A rigorous analysis of the proposed formulation is provided and numerical simulation studies are presented to help illustrate the effectiveness of the angular-velocity observer for rigid spacecraft attitude control. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Influence of axial self-magnetic field component on arcing behavior of spiral-shaped contacts

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

Feng, Dingyu; Xiu, Shixin, E-mail: xsx@mail.xjtu.edu.cn; Wang, Yi

2015-10-15

The transverse magnetic field (TMF) contact design is commonly used in vacuum interrupters. When arcing occurs between the TMF contacts, the contact structure can create a self-induced magnetic field that drives the arc to move and rotate on the contact, and thus local overheating and severe erosion can be avoided. However, TMF contacts could also create an axial self-magnetic component, and the influence of this component on the arc behavior has not been considered to date. In this paper, five different types of Cu-Cr spiral-shaped TMF contacts with three different structures are investigated in a demountable vacuum chamber that containsmore » a high-speed charge-coupled device video camera. It was found that the contact structure greatly influenced the arc behavior, especially in terms of arc rotation and the effective contact area, while contacts with the same slot structure but different diameters showed similar arc behavior and arc motion. The magnetic field distribution and the Lorentz force of each of the three different contact structures are simulated, and the axial self-magnetic field was first taken into consideration for investigation of the TMF contact design. It was found that contact designs that have higher axial self-magnetic field components tend to have arc columns with larger diameters and show poorer arc motion and rotation performance in the experiments.« less

A Nonlinear Fuel Optimal Reaction Jet Control Law

DTIC Science & Technology

2002-07-29

derive a nonlinear fuel optimal attitude control system (ACS) that drives the final state to the desired state according to a cost function that...αroll = 0.22 rad/s2 and αyaw = 0.20 rad/s2. [ ] ( )( )ωωτω rrr&r r&r ⋅×−⋅= ⋅Ω−= − 2 1 1 II QQ (9) where, Q r is the attitude quaternion ...from Table-1 regarding the relative performance of the nonlinear controller with a conventional PID controller ( used in this paper as a benchmark for

The processing of IMU data in ENTREE implementation and preliminary results

NASA Technical Reports Server (NTRS)

Heck, M. L.

1980-01-01

It is demonstrated that the shuttle entry trajectory can be accurately represented in ENTREE with IMU data available postflight. The IMU data consist of platform to body quaternions, and accumulated sensed velocities in mean of fifty (M50) coordinates approximately every second. The preprocessing software required to incorporate the IMU data in ENTREE is described as well as the relatively minor code changes to the ENTREE program itself required to process the IMU data. Code changes to the ENTREE program and input tape data format and content changes are described.

Twistor approach to string compactifications: A review

NASA Astrophysics Data System (ADS)

Alexandrov, Sergei

2013-01-01

We review a progress in obtaining the complete non-perturbative effective action of type II string theory compactified on a Calabi-Yau manifold. This problem is equivalent to understanding quantum corrections to the metric on the hypermultiplet moduli space. We show how all these corrections, which include D-brane and NS5-brane instantons, are incorporated in the framework of the twistor approach, which provides a powerful mathematical description of hyperkähler and quaternion-Kähler manifolds. We also present new insights on S-duality, quantum mirror symmetry, connections to integrable models and topological strings.

Modeling workplace contact networks: The effects of organizational structure, architecture, and reporting errors on epidemic predictions.

PubMed

Potter, Gail E; Smieszek, Timo; Sailer, Kerstin

2015-09-01

Face-to-face social contacts are potentially important transmission routes for acute respiratory infections, and understanding the contact network can improve our ability to predict, contain, and control epidemics. Although workplaces are important settings for infectious disease transmission, few studies have collected workplace contact data and estimated workplace contact networks. We use contact diaries, architectural distance measures, and institutional structures to estimate social contact networks within a Swiss research institute. Some contact reports were inconsistent, indicating reporting errors. We adjust for this with a latent variable model, jointly estimating the true (unobserved) network of contacts and duration-specific reporting probabilities. We find that contact probability decreases with distance, and that research group membership, role, and shared projects are strongly predictive of contact patterns. Estimated reporting probabilities were low only for 0-5 min contacts. Adjusting for reporting error changed the estimate of the duration distribution, but did not change the estimates of covariate effects and had little effect on epidemic predictions. Our epidemic simulation study indicates that inclusion of network structure based on architectural and organizational structure data can improve the accuracy of epidemic forecasting models.

Modeling workplace contact networks: The effects of organizational structure, architecture, and reporting errors on epidemic predictions

PubMed Central

Potter, Gail E.; Smieszek, Timo; Sailer, Kerstin

2015-01-01

Face-to-face social contacts are potentially important transmission routes for acute respiratory infections, and understanding the contact network can improve our ability to predict, contain, and control epidemics. Although workplaces are important settings for infectious disease transmission, few studies have collected workplace contact data and estimated workplace contact networks. We use contact diaries, architectural distance measures, and institutional structures to estimate social contact networks within a Swiss research institute. Some contact reports were inconsistent, indicating reporting errors. We adjust for this with a latent variable model, jointly estimating the true (unobserved) network of contacts and duration-specific reporting probabilities. We find that contact probability decreases with distance, and that research group membership, role, and shared projects are strongly predictive of contact patterns. Estimated reporting probabilities were low only for 0–5 min contacts. Adjusting for reporting error changed the estimate of the duration distribution, but did not change the estimates of covariate effects and had little effect on epidemic predictions. Our epidemic simulation study indicates that inclusion of network structure based on architectural and organizational structure data can improve the accuracy of epidemic forecasting models. PMID:26634122

Low nonalloyed Ohmic contact resistance to nitride high electron mobility transistors using N-face growth

NASA Astrophysics Data System (ADS)

Wong, Man Hoi; Pei, Yi; Palacios, Tomás; Shen, Likun; Chakraborty, Arpan; McCarthy, Lee S.; Keller, Stacia; DenBaars, Steven P.; Speck, James S.; Mishra, Umesh K.

2007-12-01

Nonalloyed Ohmic contacts on Ga-face n+-GaN/AlGaN/GaN high electron mobility transistor (HEMT) structures typically have significant contact resistance to the two-dimensional electron gas (2DEG) due to the AlGaN barrier. By growing the HEMT structure inverted on the N-face, electrons from the contacts were able to access the 2DEG without going through an AlGaN layer. A low contact resistance of 0.16Ωmm and specific contact resistivity of 5.5×10-7Ωcm2 were achieved without contact annealing on the inverted HEMT structure.

Quaternion-based study of angular velocity of the cardiac vector during myocardial ischaemia.

PubMed

Cruces, Pablo Daniel; Arini, Pedro David

2017-12-01

Early detection of acute ischaemia through non-invasive methods remains a challenge in health research. Ischaemic condition caused by a decrease in the blood supply in a cardiac region induces hypoxia and metabolic abnormalities that contribute to the electrical instability of the heart and to the development of slow conduction in damaged tissue. Herein, a percutaneous transluminal coronary angiography (PTCA) is considered as a model of supply ischaemia. We use the concept of quaternion to develop a robust method for assessing the angular velocity of cardiac vector in the orthogonal XYZ leads obtained from 92 patients undergoing the PTCA procedure. The maxima of angular velocity in both ventricular depolarization and repolarization are combined with traditional linear velocity indexes in order to obtain a detector of ischaemic episodes (Ischaemia Detector, ID). ID achieves 98%/100% of sensitivity/specificity when differentiating healthy subjects from patients with early ischaemia. Furthermore, it also shows high accuracy when the comparison is made between ischaemic subjects and patients with different non-ischaemic pathologic ST-deviations which are known to cause false positives, reaching 95%/98% of sensitivity/specificity. Moreover, the study of significant reductions (p<0.001) of angular velocity components allows extraction of distinct ischaemic common features which are useful for analyzing the dependence of vectorcardiogram signal on each site of occlusion. The sensitivity of injury location reaches values of 88% (RCA), 87% (LAD) and 80% (LCx). The high performance of the proposed method establishes a promising outcome for application in computerized assistance in clinical practice. Copyright © 2017 Elsevier B.V. All rights reserved.

Inferring a District-Based Hierarchical Structure of Social Contacts from Census Data

PubMed Central

Yu, Zhiwen; Liu, Jiming; Zhu, Xianjun

2015-01-01

Researchers have recently paid attention to social contact patterns among individuals due to their useful applications in such areas as epidemic evaluation and control, public health decisions, chronic disease research and social network research. Although some studies have estimated social contact patterns from social networks and surveys, few have considered how to infer the hierarchical structure of social contacts directly from census data. In this paper, we focus on inferring an individual’s social contact patterns from detailed census data, and generate various types of social contact patterns such as hierarchical-district-structure-based, cross-district and age-district-based patterns. We evaluate newly generated contact patterns derived from detailed 2011 Hong Kong census data by incorporating them into a model and simulation of the 2009 Hong Kong H1N1 epidemic. We then compare the newly generated social contact patterns with the mixing patterns that are often used in the literature, and draw the following conclusions. First, the generation of social contact patterns based on a hierarchical district structure allows for simulations at different district levels. Second, the newly generated social contact patterns reflect individuals social contacts. Third, the newly generated social contact patterns improve the accuracy of the SEIR-based epidemic model. PMID:25679787

SiteBinder: an improved approach for comparing multiple protein structural motifs.

PubMed

Sehnal, David; Vařeková, Radka Svobodová; Huber, Heinrich J; Geidl, Stanislav; Ionescu, Crina-Maria; Wimmerová, Michaela; Koča, Jaroslav

2012-02-27

There is a paramount need to develop new techniques and tools that will extract as much information as possible from the ever growing repository of protein 3D structures. We report here on the development of a software tool for the multiple superimposition of large sets of protein structural motifs. Our superimposition methodology performs a systematic search for the atom pairing that provides the best fit. During this search, the RMSD values for all chemically relevant pairings are calculated by quaternion algebra. The number of evaluated pairings is markedly decreased by using PDB annotations for atoms. This approach guarantees that the best fit will be found and can be applied even when sequence similarity is low or does not exist at all. We have implemented this methodology in the Web application SiteBinder, which is able to process up to thousands of protein structural motifs in a very short time, and which provides an intuitive and user-friendly interface. Our benchmarking analysis has shown the robustness, efficiency, and versatility of our methodology and its implementation by the successful superimposition of 1000 experimentally determined structures for each of 32 eukaryotic linear motifs. We also demonstrate the applicability of SiteBinder using three case studies. We first compared the structures of 61 PA-IIL sugar binding sites containing nine different sugars, and we found that the sugar binding sites of PA-IIL and its mutants have a conserved structure despite their binding different sugars. We then superimposed over 300 zinc finger central motifs and revealed that the molecular structure in the vicinity of the Zn atom is highly conserved. Finally, we superimposed 12 BH3 domains from pro-apoptotic proteins. Our findings come to support the hypothesis that there is a structural basis for the functional segregation of BH3-only proteins into activators and enablers.

Automated Testcase Generation for Numerical Support Functions in Embedded Systems

NASA Technical Reports Server (NTRS)

Schumann, Johann; Schnieder, Stefan-Alexander

2014-01-01

We present a tool for the automatic generation of test stimuli for small numerical support functions, e.g., code for trigonometric functions, quaternions, filters, or table lookup. Our tool is based on KLEE to produce a set of test stimuli for full path coverage. We use a method of iterative deepening over abstractions to deal with floating-point values. During actual testing the stimuli exercise the code against a reference implementation. We illustrate our approach with results of experiments with low-level trigonometric functions, interpolation routines, and mathematical support functions from an open source UAS autopilot.

Multiplicative Versus Additive Filtering for Spacecraft Attitude Determination

NASA Technical Reports Server (NTRS)

Markley, F. Landis

2003-01-01

The absence of a globally nonsingular three-parameter representation of rotations forces attitude Kalman filters to estimate either a singular or a redundant attitude representation. We compare two filtering strategies using simplified kinematics and measurement models. Our favored strategy estimates a three-parameter representation of attitude deviations from a reference attitude specified by a higher- dimensional nonsingular parameterization. The deviations from the reference are assumed to be small enough to avoid any singularity or discontinuity of the three-dimensional parameterization. We point out some disadvantages of the other strategy, which directly estimates the four-parameter quaternion representation.

An elementary singularity-free Rotational Brownian Dynamics algorithm for anisotropic particles

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

Ilie, Ioana M.; Briels, Wim J.; MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede

2015-03-21

Brownian Dynamics is the designated technique to simulate the collective dynamics of colloidal particles suspended in a solution, e.g., the self-assembly of patchy particles. Simulating the rotational dynamics of anisotropic particles by a first-order Langevin equation, however, gives rise to a number of complications, ranging from singularities when using a set of three rotational coordinates to subtle metric and drift corrections. Here, we derive and numerically validate a quaternion-based Rotational Brownian Dynamics algorithm that handles these complications in a simple and elegant way. The extension to hydrodynamic interactions is also discussed.

Wave computation on the Poincaré dodecahedral space

NASA Astrophysics Data System (ADS)

Bachelot-Motet, Agnès

2013-12-01

We compute the waves propagating on a compact 3-manifold of constant positive curvature with a non-trivial topology: the Poincaré dodecahedral space that is a plausible model of multi-connected universe. We transform the Cauchy problem to a mixed problem posed on a fundamental domain determined by the quaternionic calculus. We adopt a variational approach using a space of finite elements that is invariant under the action of the binary icosahedral group. The computation of the transient waves is validated with their spectral analysis by computing a lot of eigenvalues of the Laplace-Beltrami operator.

An Ada Linear-Algebra Software Package Modeled After HAL/S

NASA Technical Reports Server (NTRS)

Klumpp, Allan R.; Lawson, Charles L.

1990-01-01

New avionics software written more easily. Software package extends Ada programming language to include linear-algebra capabilities similar to those of HAL/S programming language. Designed for such avionics applications as Space Station flight software. In addition to built-in functions of HAL/S, package incorporates quaternion functions used in Space Shuttle and Galileo projects and routines from LINPAK solving systems of equations involving general square matrices. Contains two generic programs: one for floating-point computations and one for integer computations. Written on IBM/AT personal computer running under PC DOS, v.3.1.

Experimental Study of Static Contact-angle on Peak-like Microstructural Surfaces Produced by PIII Technology

NASA Astrophysics Data System (ADS)

Yang, Runhua; Yang, Lixin

2018-06-01

Plasma immersion ion implantation (PIII) was used to fabricate micro/nano structures on monocrystalline Si surfaces with different ratios of mixed gases (SF6/O2). The micro/nano structures on the surfaces of the sample were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The results showed that with increasing ratio of mixed gases (SF6/O2), the height of the micro/nano structures first increased and then decreased. Contact-angle measurements indicated that the surfaces' micro/nano structures have an obvious effect on the contact-angle, and could cause a change in surface wettability. The theoretical analysis of contact-angle showed that the Wenzel and Cassie theories cannot predict the contact-angle of a roughened surface accurately, and should be corrected for practical applications using an actual model. Moreover, the contact-angle first increased and then decreased with increasing ratio of mixed gases (SF6/O2), which is in accordance with the change of the height of micro/nano structures.

Contact heterogeneities in feral swine: implications for disease management and future research

DOE PAGES

Pepin, Kim M.; Davis, Amy J.; Beasley, James; ...

2016-03-17

Contact rates vary widely among individuals in socially structured wildlife populations. Understanding the interplay of factors responsible for this variation is essential for planning effective disease management. Feral swine (Sus scrofa) are a socially structured species which pose an increasing threat to livestock and human health, and little is known about contact structure. We analyzed 11 GPS data sets from across the United States to understand the interplay of ecological and demographic factors on variation in co-location rates, a proxy for contact rates. Between-sounder contact rates strongly depended on the distance among home ranges (less contact among sounders separated bymore » >2 km; negligible between sounders separated by >6 km), but other factors causing high clustering between groups of sounders also seemed apparent. Our results provide spatial parameters for targeted management actions, identify data gaps that could lead to improved management and provide insight on experimental design for quantitating contact rates and structure.« less

Contact heterogeneities in feral swine: implications for disease management and future research

USGS Publications Warehouse

Pepin, Kim; Davis, Amy J.; Beasley, James; Boughton, Raoul; Campbell, Tyler; Cooper, Susan; Gaston, Wes; Hartley, Stephen B.; Kilgo, John C.; Wisely, Samantha; Wyckoff, Christy; VerCauteren, Kurt

2016-01-01

Contact rates vary widely among individuals in socially structured wildlife populations. Understanding the interplay of factors responsible for this variation is essential for planning effective disease management. Feral swine (Sus scrofa) are a socially structured species which pose an increasing threat to livestock and human health, and little is known about contact structure. We analyzed 11 GPS data sets from across the United States to understand the interplay of ecological and demographic factors on variation in co-location rates, a proxy for contact rates. Between-sounder contact rates strongly depended on the distance among home ranges (less contact among sounders separated by >2 km; negligible between sounders separated by >6 km), but other factors causing high clustering between groups of sounders also seemed apparent. Our results provide spatial parameters for targeted management actions, identify data gaps that could lead to improved management and provide insight on experimental design for quantitating contact rates and structure.

Contact heterogeneities in feral swine: implications for disease management and future research

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

Pepin, Kim M.; Davis, Amy J.; Beasley, James

Contact rates vary widely among individuals in socially structured wildlife populations. Understanding the interplay of factors responsible for this variation is essential for planning effective disease management. Feral swine (Sus scrofa) are a socially structured species which pose an increasing threat to livestock and human health, and little is known about contact structure. We analyzed 11 GPS data sets from across the United States to understand the interplay of ecological and demographic factors on variation in co-location rates, a proxy for contact rates. Between-sounder contact rates strongly depended on the distance among home ranges (less contact among sounders separated bymore » >2 km; negligible between sounders separated by >6 km), but other factors causing high clustering between groups of sounders also seemed apparent. Our results provide spatial parameters for targeted management actions, identify data gaps that could lead to improved management and provide insight on experimental design for quantitating contact rates and structure.« less

Experiences in extraction of contact parameters from process-evaluation test-structures

NASA Technical Reports Server (NTRS)

Lieneweg, Udo

1988-01-01

Six-terminal-contact test structures are introduced for characterizing ohmic contacts between a metal and a heavily doped semiconductor layer. Specifically, the six-terminal test structure supplies the additional information needed in order to calculate the transmission length and eventual corrections to the characteristic resistance per unit width due to finite contact length. The essential feature of this test structure is a square contact with four taps in the lower (semiconductor) layer. Every other one of these taps is used for current injection ('front'). From the voltage drop at the opposite tap and the side taps, the 'end' resistance and the 'side' resistances are calculated. The test structures are shown to give valuable information complementary to the common front resistance measurements. The interfacial resistivity is obtained directly after proper correction for flange effects.

Defining an essence of structure determining residue contacts in proteins.

PubMed

Sathyapriya, R; Duarte, Jose M; Stehr, Henning; Filippis, Ioannis; Lappe, Michael

2009-12-01

The network of native non-covalent residue contacts determines the three-dimensional structure of a protein. However, not all contacts are of equal structural significance, and little knowledge exists about a minimal, yet sufficient, subset required to define the global features of a protein. Characterisation of this "structural essence" has remained elusive so far: no algorithmic strategy has been devised to-date that could outperform a random selection in terms of 3D reconstruction accuracy (measured as the Ca RMSD). It is not only of theoretical interest (i.e., for design of advanced statistical potentials) to identify the number and nature of essential native contacts-such a subset of spatial constraints is very useful in a number of novel experimental methods (like EPR) which rely heavily on constraint-based protein modelling. To derive accurate three-dimensional models from distance constraints, we implemented a reconstruction pipeline using distance geometry. We selected a test-set of 12 protein structures from the four major SCOP fold classes and performed our reconstruction analysis. As a reference set, series of random subsets (ranging from 10% to 90% of native contacts) are generated for each protein, and the reconstruction accuracy is computed for each subset. We have developed a rational strategy, termed "cone-peeling" that combines sequence features and network descriptors to select minimal subsets that outperform the reference sets. We present, for the first time, a rational strategy to derive a structural essence of residue contacts and provide an estimate of the size of this minimal subset. Our algorithm computes sparse subsets capable of determining the tertiary structure at approximately 4.8 A Ca RMSD with as little as 8% of the native contacts (Ca-Ca and Cb-Cb). At the same time, a randomly chosen subset of native contacts needs about twice as many contacts to reach the same level of accuracy. This "structural essence" opens new avenues in the fields of structure prediction, empirical potentials and docking.

A contact angle hysteresis model based on the fractal structure of contact line.

PubMed

Wu, Shuai; Ma, Ming

2017-11-01

Contact angle is one of the most popular concept used in fields such as wetting, transport and microfludics. In practice, different contact angles such as equilibrium, receding and advancing contact angles are observed due to hysteresis. The connection among these contact angles is important in revealing the chemical and physical properties of surfaces related to wetting. Inspired by the fractal structure of contact line, we propose a single parameter model depicting the connection of the three angles. This parameter is decided by the fractal structure of the contact line. The results of this model agree with experimental observations. In certain cases, it can be reduced to other existing models. It also provides a new point of view in understanding the physical nature of the contact angle hysteresis. Interestingly, some counter-intuitive phenomena, such as the binary receding angles, are indicated in this model, which are waited to be validated by experiments. Copyright © 2017 Elsevier Inc. All rights reserved.

[Structure of crambin in solution, crystal and in the trajectories of molecular dynamics simulations].

PubMed

Abaturov, L V; Nosova, N G

2013-01-01

The mechanisms of the three-dimensional crambin structure alterations in the crystalline environments and in the trajectories of the molecular dynamics simulations in the vacuum and crystal surroundings have been analyzed. In the crystalline state and in the solution the partial regrouping of remote intramolecular packing contacts, involved in the formation and stabilization of the tertiary structure of the crambin molecule, occurs in NMR structures. In the crystalline state it is initiated by the formation of the intermolecular contacts, the conformational influence of its appearance is distributed over the structure. The changes of the conformations and positions of the residues of the loop segments, where the intermolecular contacts of the crystal surroundings are preferably concentrated, are most observable. Under the influence of these contacts the principal change of the regular secondary structure of crambin is taking place: extension of the two-strand beta structure to the three-strand structure with the participation of the single last residue N46 of the C-terminal loop. In comparison with the C-terminal loop the more profound changes are observed in the conformation and the atomic positions of the backbone atoms and in the solvent accessibility of the residues of the interhelical loop. In the solution of the ensemble of the 8 NMR structures relative accessibility to the solvent differs more noticeably also in the region of the loop segments and rather markedly in the interhelical loop. In the crambin cryogenic crystal structures the positions of the atoms of the backbone and/or side chain of 14-18 of 46 residues are discretely disordered. The disorganizations of at least 8 of 14 residues occur directly in the regions of the intermolecular contacts and another 5 residues are disordered indirectly through the intramolecular contacts with the residues of the intermolecular contacts. Upon the molecular dynamics simulation in the vacuum surrounding as in the solution of the crystalline structure of crambin the essential changes of the backbone conformation are caused by the intermolecular contacts absence, but partly masked by the structure changes owing to the nonpolar H atoms absence on the simulated structure. The intermolecular contact absence is partly manifested upon the molecular dynamics simulation of the crambin crystal with one protein molecule. Compared to the crystal structure the lengths of the interpeptide hydrogen bonds and other interresidue contacts in an average solution NMR structure are somewhat shorter and accordingly the energy of the interpeptide hydrogen bonds is better. This length shortening can occur at the stage of the refinement of the NMR structures of the crambin and other proteins by its energy minimizations in the vacuum surroundings and not exist in the solution protein structures.

Robust fault-tolerant tracking control design for spacecraft under control input saturation.

PubMed

Bustan, Danyal; Pariz, Naser; Sani, Seyyed Kamal Hosseini

2014-07-01

In this paper, a continuous globally stable tracking control algorithm is proposed for a spacecraft in the presence of unknown actuator failure, control input saturation, uncertainty in inertial matrix and external disturbances. The design method is based on variable structure control and has the following properties: (1) fast and accurate response in the presence of bounded disturbances; (2) robust to the partial loss of actuator effectiveness; (3) explicit consideration of control input saturation; and (4) robust to uncertainty in inertial matrix. In contrast to traditional fault-tolerant control methods, the proposed controller does not require knowledge of the actuator faults and is implemented without explicit fault detection and isolation processes. In the proposed controller a single parameter is adjusted dynamically in such a way that it is possible to prove that both attitude and angular velocity errors will tend to zero asymptotically. The stability proof is based on a Lyapunov analysis and the properties of the singularity free quaternion representation of spacecraft dynamics. Results of numerical simulations state that the proposed controller is successful in achieving high attitude performance in the presence of external disturbances, actuator failures, and control input saturation. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

A Dictionary Approach to Electron Backscatter Diffraction Indexing.

PubMed

Chen, Yu H; Park, Se Un; Wei, Dennis; Newstadt, Greg; Jackson, Michael A; Simmons, Jeff P; De Graef, Marc; Hero, Alfred O

2015-06-01

We propose a framework for indexing of grain and subgrain structures in electron backscatter diffraction patterns of polycrystalline materials. We discretize the domain of a dynamical forward model onto a dense grid of orientations, producing a dictionary of patterns. For each measured pattern, we identify the most similar patterns in the dictionary, and identify boundaries, detect anomalies, and index crystal orientations. The statistical distribution of these closest matches is used in an unsupervised binary decision tree (DT) classifier to identify grain boundaries and anomalous regions. The DT classifies a pattern as an anomaly if it has an abnormally low similarity to any pattern in the dictionary. It classifies a pixel as being near a grain boundary if the highly ranked patterns in the dictionary differ significantly over the pixel's neighborhood. Indexing is accomplished by computing the mean orientation of the closest matches to each pattern. The mean orientation is estimated using a maximum likelihood approach that models the orientation distribution as a mixture of Von Mises-Fisher distributions over the quaternionic three sphere. The proposed dictionary matching approach permits segmentation, anomaly detection, and indexing to be performed in a unified manner with the additional benefit of uncertainty quantification.

Pore-scale water dynamics during drying and the impacts of structure and surface wettability

NASA Astrophysics Data System (ADS)

Cruz, Brian C.; Furrer, Jessica M.; Guo, Yi-Syuan; Dougherty, Daniel; Hinestroza, Hector F.; Hernandez, Jhoan S.; Gage, Daniel J.; Cho, Yong Ku; Shor, Leslie M.

2017-07-01

Plants and microbes secrete mucilage into soil during dry conditions, which can alter soil structure and increase contact angle. Structured soils exhibit a broad pore size distribution with many small and many large pores, and strong capillary forces in narrow pores can retain moisture in soil aggregates. Meanwhile, contact angle determines the water repellency of soils, which can result in suppressed evaporation rates. Although they are often studied independently, both structure and contact angle influence water movement, distribution, and retention in soils. Here drying experiments were conducted using soil micromodels patterned to emulate different aggregation states of a sandy loam soil. Micromodels were treated to exhibit contact angles representative of those in bulk soil (8.4° ± 1.9°) and the rhizosphere (65° ± 9.2°). Drying was simulated using a lattice Boltzmann single-component, multiphase model. In our experiments, micromodels with higher contact angle surfaces took 4 times longer to completely dry versus micromodels with lower contact angle surfaces. Microstructure influenced drying rate as a function of saturation and controlled the spatial distribution of moisture within micromodels. Lattice Boltzmann simulations accurately predicted pore-scale moisture retention patterns within micromodels with different structures and contact angles.

Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.

PubMed

Tsuzuki, Seiji; Uchimaru, Tadafumi; Mikami, Masuhiro

2011-10-20

The CH/π contact structures of the fucose-phenol and fucose-indole complexes and the stabilization energies by formation of the complexes (E(form)) were studied by ab initio molecular orbital calculations. The three types of interactions (CH/π and OH/π interactions and OH/O hydrogen bonds) were compared and evaluated in a single molecular system and at the same level of theory. The E(form) calculated for the most stable CH/π contact structure of the fucose-phenol complex at the CCSD(T) level (-4.9 kcal/mol) is close to that for the most stable CH/π contact structure of the fucose-benzene complex (-4.5 kcal/mol). On the other hand the most stable CH/π contact structure of the fucose-indole complex has substantially larger E(form) (-6.5 kcal/mol). The dispersion interaction is the major source of the attraction in the CH/π contact structures of the fucose-phenol and fucose-indole complexes as in the case of the fucose-benzene complex. The electrostatic interactions in the CH/π contact structures are small (less than 1.5 kcal/mol). The nature of the interactions between the nonpolar surface of the carbohydrate and aromatic rings is completely different from that of the conventional hydrogen bonds where the electrostatic interaction is the major source of the attraction. The distributed multipole analysis and DFT-SATP analysis show that the dispersion interactions in the CH/π contact structure of fucose-indole complex are substantially larger than those in the CH/π contact structures of fucose-benzene and fucose-phenol complexes. The large dispersion interactions are responsible for the large E(form) for the fucose-indole complex.

VML 3.0 Reactive Sequencing Objects and Matrix Math Operations for Attitude Profiling

NASA Technical Reports Server (NTRS)

Grasso, Christopher A.; Riedel, Joseph E.

2012-01-01

VML (Virtual Machine Language) has been used as the sequencing flight software on over a dozen JPL deep-space missions, most recently flying on GRAIL and JUNO. In conjunction with the NASA SBIR entitled "Reactive Rendezvous and Docking Sequencer", VML version 3.0 has been enhanced to include object-oriented element organization, built-in queuing operations, and sophisticated matrix / vector operations. These improvements allow VML scripts to easily perform much of the work that formerly would have required a great deal of expensive flight software development to realize. Autonomous turning and tracking makes considerable use of new VML features. Profiles generated by flight software are managed using object-oriented VML data constructs executed in discrete time by the VML flight software. VML vector and matrix operations provide the ability to calculate and supply quaternions to the attitude controller flight software which produces torque requests. Using VML-based attitude planning components eliminates flight software development effort, and reduces corresponding costs. In addition, the direct management of the quaternions allows turning and tracking to be tied in with sophisticated high-level VML state machines. These state machines provide autonomous management of spacecraft operations during critical tasks like a hypothetic Mars sample return rendezvous and docking. State machines created for autonomous science observations can also use this sort of attitude planning system, allowing heightened autonomy levels to reduce operations costs. VML state machines cannot be considered merely sequences - they are reactive logic constructs capable of autonomous decision making within a well-defined domain. The state machine approach enabled by VML 3.0 is progressing toward flight capability with a wide array of applicable mission activities.

a Weighted Closed-Form Solution for Rgb-D Data Registration

NASA Astrophysics Data System (ADS)

Vestena, K. M.; Dos Santos, D. R.; Oilveira, E. M., Jr.; Pavan, N. L.; Khoshelham, K.

2016-06-01

Existing 3D indoor mapping of RGB-D data are prominently point-based and feature-based methods. In most cases iterative closest point (ICP) and its variants are generally used for pairwise registration process. Considering that the ICP algorithm requires an relatively accurate initial transformation and high overlap a weighted closed-form solution for RGB-D data registration is proposed. In this solution, we weighted and normalized the 3D points based on the theoretical random errors and the dual-number quaternions are used to represent the 3D rigid body motion. Basically, dual-number quaternions provide a closed-form solution by minimizing a cost function. The most important advantage of the closed-form solution is that it provides the optimal transformation in one-step, it does not need to calculate good initial estimates and expressively decreases the demand for computer resources in contrast to the iterative method. Basically, first our method exploits RGB information. We employed a scale invariant feature transformation (SIFT) for extracting, detecting, and matching features. It is able to detect and describe local features that are invariant to scaling and rotation. To detect and filter outliers, we used random sample consensus (RANSAC) algorithm, jointly with an statistical dispersion called interquartile range (IQR). After, a new RGB-D loop-closure solution is implemented based on the volumetric information between pair of point clouds and the dispersion of the random errors. The loop-closure consists to recognize when the sensor revisits some region. Finally, a globally consistent map is created to minimize the registration errors via a graph-based optimization. The effectiveness of the proposed method is demonstrated with a Kinect dataset. The experimental results show that the proposed method can properly map the indoor environment with an absolute accuracy around 1.5% of the travel of a trajectory.

Attitude control system of the Delfi-n3Xt satellite

NASA Astrophysics Data System (ADS)

Reijneveld, J.; Choukroun, D.

2013-12-01

This work is concerned with the development of the attitude control algorithms that will be implemented on board of the Delfi-n3xt nanosatellite, which is to be launched in 2013. One of the mission objectives is to demonstrate Sun pointing and three axis stabilization. The attitude control modes and the associated algorithms are described. The control authority is shared between three body-mounted magnetorquers (MTQ) and three orthogonal reaction wheels. The attitude information is retrieved from Sun vector measurements, Earth magnetic field measurements, and gyro measurements. The design of the control is achieved as a trade between simplicity and performance. Stabilization and Sun pointing are achieved via the successive application of the classical Bdot control law and a quaternion feedback control. For the purpose of Sun pointing, a simple quaternion estimation scheme is implemented based on geometric arguments, where the need for a costly optimal filtering algorithm is alleviated, and a single line of sight (LoS) measurement is required - here the Sun vector. Beyond the three-axis Sun pointing mode, spinning Sun pointing modes are also described and used as demonstration modes. The three-axis Sun pointing mode requires reaction wheels and magnetic control while the spinning control modes are implemented with magnetic control only. In addition, a simple scheme for angular rates estimation using Sun vector and Earth magnetic measurements is tested in the case of gyro failures. The various control modes performances are illustrated via extensive simulations over several orbits time spans. The simulated models of the dynamical space environment, of the attitude hardware, and the onboard controller logic are using realistic assumptions. All control modes satisfy the minimal Sun pointing requirements allowed for power generation.

A globally nonsingular quaternion-based formulation for all-electric satellite trajectory optimization

NASA Astrophysics Data System (ADS)

Libraro, Paola

The general electric propulsion orbit-raising maneuver of a spacecraft must contend with four main limiting factors: the longer time of flight, multiple eclipses prohibiting continuous thrusting, long exposure to radiation from the Van Allen belt and high power requirement of the electric engines. In order to optimize a low-thrust transfer with respect to these challenges, the choice of coordinates and corresponding equations of motion used to describe the kinematical and dynamical behavior of the satellite is of critical importance. This choice can potentially affect the numerical optimization process as well as limit the set of mission scenarios that can be investigated. To increase the ability to determine the feasible set of mission scenarios able to address the challenges of an all-electric orbit-raising, a set of equations free of any singularities is required to consider a completely arbitrary injection orbit. For this purpose a new quaternion-based formulation of a spacecraft translational dynamics that is globally nonsingular has been developed. The minimum-time low-thrust problem has been solved using the new set of equations of motion inside a direct optimization scheme in order to investigate optimal low-thrust trajectories over the full range of injection orbit inclinations between 0 and 90 degrees with particular focus on high-inclinations. The numerical results consider a specific mission scenario in order to analyze three key aspects of the problem: the effect of the initial guess on the shape and duration of the transfer, the effect of Earth oblateness on transfer time and the role played by, radiation damage and power degradation in all-electric minimum-time transfers. Finally trade-offs between mass and cost savings are introduced through a test case.

Modeling socio-demography to capture tuberculosis transmission dynamics in a low burden setting

PubMed Central

Ajelli, Marco; Yang, Zhenhua; Merler, Stefano; Furlanello, Cesare; Kirschner, Denise

2011-01-01

Evidence of preferential mixing through selected social routes has been suggested for the transmission of tuberculosis (TB) infection in low burden settings. A realistic modelization of these contact routes is needed to appropriately assess the impact of individually targeted control strategies, such as contact network investigation of index cases and treatment of latent TB infection (LTBI). We propose an age-structured, socio-demographic individual based model (IBM) with a realistic, time-evolving structure of preferential contacts in a population. In particular, transmission within households, schools and work-places, together with a component of casual, distance-dependent contacts are considered. We also compared the model against two other formulations having no social structure of contacts (homogeneous mixing transmission): a baseline deterministic model without age structure and an age-structured IBM. The socio-demographic IBM better fitted recent longitudinal data on TB epidemiology in Arkansas, USA, which serves as an example of a low burden setting. Inclusion of age structure in the model proved fundamental to capturing actual proportions of reactivated TB cases (as opposed to recently transmitted) as well as profiling age-group specific incidence. The socio-demographic structure additionally provides a prediction of TB transmission rates (the rate of infection in household contacts and the rate of secondary cases in household and workplace contacts). These results suggest that the socio-demographic IBM is an optimal choice for evaluating current control strategies, including contact network investigation of index cases, and the simulation of alternative scenarios, particularly for TB eradication targets. PMID:21906603

Projecting social contact matrices in 152 countries using contact surveys and demographic data.

PubMed

Prem, Kiesha; Cook, Alex R; Jit, Mark

2017-09-01

Heterogeneities in contact networks have a major effect in determining whether a pathogen can become epidemic or persist at endemic levels. Epidemic models that determine which interventions can successfully prevent an outbreak need to account for social structure and mixing patterns. Contact patterns vary across age and locations (e.g. home, work, and school), and including them as predictors in transmission dynamic models of pathogens that spread socially will improve the models' realism. Data from population-based contact diaries in eight European countries from the POLYMOD study were projected to 144 other countries using a Bayesian hierarchical model that estimated the proclivity of age-and-location-specific contact patterns for the countries, using Markov chain Monte Carlo simulation. Household level data from the Demographic and Health Surveys for nine lower-income countries and socio-demographic factors from several on-line databases for 152 countries were used to quantify similarity of countries to estimate contact patterns in the home, work, school and other locations for countries for which no contact data are available, accounting for demographic structure, household structure where known, and a variety of metrics including workforce participation and school enrolment. Contacts are highly assortative with age across all countries considered, but pronounced regional differences in the age-specific contacts at home were noticeable, with more inter-generational contacts in Asian countries than in other settings. Moreover, there were variations in contact patterns by location, with work-place contacts being least assortative. These variations led to differences in the effect of social distancing measures in an age structured epidemic model. Contacts have an important role in transmission dynamic models that use contact rates to characterize the spread of contact-transmissible diseases. This study provides estimates of mixing patterns for societies for which contact data such as POLYMOD are not yet available.

Periodic Forced Response of Structures Having Three-Dimensional Frictional Constraints

NASA Astrophysics Data System (ADS)

CHEN, J. J.; YANG, B. D.; MENQ, C. H.

2000-01-01

Many mechanical systems have moving components that are mutually constrained through frictional contacts. When subjected to cyclic excitations, a contact interface may undergo constant changes among sticks, slips and separations, which leads to very complex contact kinematics. In this paper, a 3-D friction contact model is employed to predict the periodic forced response of structures having 3-D frictional constraints. Analytical criteria based on this friction contact model are used to determine the transitions among sticks, slips and separations of the friction contact, and subsequently the constrained force which consists of the induced stick-slip friction force on the contact plane and the contact normal load. The resulting constrained force is often a periodic function and can be considered as a feedback force that influences the response of the constrained structures. By using the Multi-Harmonic Balance Method along with Fast Fourier Transform, the constrained force can be integrated with the receptance of the structures so as to calculate the forced response of the constrained structures. It results in a set of non-linear algebraic equations that can be solved iteratively to yield the relative motion as well as the constrained force at the friction contact. This method is used to predict the periodic response of a frictionally constrained 3-d.o.f. oscillator. The predicted results are compared with those of the direct time integration method so as to validate the proposed method. In addition, the effect of super-harmonic components on the resonant response and jump phenomenon is examined.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Improved Ohmic-contact to AlGaN/GaN using Ohmic region recesses by self-terminating thermal oxidation assisted wet etching technique

NASA Astrophysics Data System (ADS)

Liu, J.; Wang, J.; Wang, H.; Zhu, L.; Wu, W.

2017-06-01

Lower Ti/Al/Ni/Au Ohmic contact resistance on AlGaN/GaN with wider rapid thermal annealing (RTA) temperature window was achieved using recessed Ohmic contact structure based on self-terminating thermal oxidation assisted wet etching technique (STOAWET), in comparison with conventional Ohmic contacts. Even at lower temperature such as 650°C, recessed structure by STOAWET could still obtain Ohmic contact with contact resistance of 1.97Ω·mm, while conventional Ohmic structure mainly featured as Schottky contact. Actually, both Ohmic contact recess and mesa isolation processes could be accomplished by STOAWET in one process step and the process window of STOAWET is wide, simplifying AlGaN/GaN HEMT device process. Our experiment shows that the isolation leakage current by STOAWET is about one order of magnitude lower than that by inductivity coupled plasma (ICP) performed on the same wafer.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Free Vibration Response Comparison of Composite Beams with Fluid Structure Interaction

DTIC Science & Technology

2012-09-01

fluid damping to vibrating structures when in contact with a fluid medium such as water . The added mass effect changes the dynamic responses of the...200 words) The analysis of the dynamic response of a vibrating structure in contact with a fluid medium can be interpreted as an added mass effect...INTENTIONALLY LEFT BLANK v ABSTRACT The analysis of the dynamic response of a vibrating structure in contact with a fluid medium can be interpreted as

Defining an Essence of Structure Determining Residue Contacts in Proteins

PubMed Central

Sathyapriya, R.; Duarte, Jose M.; Stehr, Henning; Filippis, Ioannis; Lappe, Michael

2009-01-01

The network of native non-covalent residue contacts determines the three-dimensional structure of a protein. However, not all contacts are of equal structural significance, and little knowledge exists about a minimal, yet sufficient, subset required to define the global features of a protein. Characterisation of this “structural essence” has remained elusive so far: no algorithmic strategy has been devised to-date that could outperform a random selection in terms of 3D reconstruction accuracy (measured as the Ca RMSD). It is not only of theoretical interest (i.e., for design of advanced statistical potentials) to identify the number and nature of essential native contacts—such a subset of spatial constraints is very useful in a number of novel experimental methods (like EPR) which rely heavily on constraint-based protein modelling. To derive accurate three-dimensional models from distance constraints, we implemented a reconstruction pipeline using distance geometry. We selected a test-set of 12 protein structures from the four major SCOP fold classes and performed our reconstruction analysis. As a reference set, series of random subsets (ranging from 10% to 90% of native contacts) are generated for each protein, and the reconstruction accuracy is computed for each subset. We have developed a rational strategy, termed “cone-peeling” that combines sequence features and network descriptors to select minimal subsets that outperform the reference sets. We present, for the first time, a rational strategy to derive a structural essence of residue contacts and provide an estimate of the size of this minimal subset. Our algorithm computes sparse subsets capable of determining the tertiary structure at approximately 4.8 Å Ca RMSD with as little as 8% of the native contacts (Ca-Ca and Cb-Cb). At the same time, a randomly chosen subset of native contacts needs about twice as many contacts to reach the same level of accuracy. This “structural essence” opens new avenues in the fields of structure prediction, empirical potentials and docking. PMID:19997489

Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds.

PubMed

Simkovic, Felix; Thomas, Jens M H; Keegan, Ronan M; Winn, Martyn D; Mayans, Olga; Rigden, Daniel J

2016-07-01

For many protein families, the deluge of new sequence information together with new statistical protocols now allow the accurate prediction of contacting residues from sequence information alone. This offers the possibility of more accurate ab initio (non-homology-based) structure prediction. Such models can be used in structure solution by molecular replacement (MR) where the target fold is novel or is only distantly related to known structures. Here, AMPLE, an MR pipeline that assembles search-model ensembles from ab initio structure predictions ('decoys'), is employed to assess the value of contact-assisted ab initio models to the crystallographer. It is demonstrated that evolutionary covariance-derived residue-residue contact predictions improve the quality of ab initio models and, consequently, the success rate of MR using search models derived from them. For targets containing β-structure, decoy quality and MR performance were further improved by the use of a β-strand contact-filtering protocol. Such contact-guided decoys achieved 14 structure solutions from 21 attempted protein targets, compared with nine for simple Rosetta decoys. Previously encountered limitations were superseded in two key respects. Firstly, much larger targets of up to 221 residues in length were solved, which is far larger than the previously benchmarked threshold of 120 residues. Secondly, contact-guided decoys significantly improved success with β-sheet-rich proteins. Overall, the improved performance of contact-guided decoys suggests that MR is now applicable to a significantly wider range of protein targets than were previously tractable, and points to a direct benefit to structural biology from the recent remarkable advances in sequencing.

Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds

PubMed Central

Simkovic, Felix; Thomas, Jens M. H.; Keegan, Ronan M.; Winn, Martyn D.; Mayans, Olga; Rigden, Daniel J.

2016-01-01

For many protein families, the deluge of new sequence information together with new statistical protocols now allow the accurate prediction of contacting residues from sequence information alone. This offers the possibility of more accurate ab initio (non-homology-based) structure prediction. Such models can be used in structure solution by molecular replacement (MR) where the target fold is novel or is only distantly related to known structures. Here, AMPLE, an MR pipeline that assembles search-model ensembles from ab initio structure predictions (‘decoys’), is employed to assess the value of contact-assisted ab initio models to the crystallographer. It is demonstrated that evolutionary covariance-derived residue–residue contact predictions improve the quality of ab initio models and, consequently, the success rate of MR using search models derived from them. For targets containing β-structure, decoy quality and MR performance were further improved by the use of a β-strand contact-filtering protocol. Such contact-guided decoys achieved 14 structure solutions from 21 attempted protein targets, compared with nine for simple Rosetta decoys. Previously encountered limitations were superseded in two key respects. Firstly, much larger targets of up to 221 residues in length were solved, which is far larger than the previously benchmarked threshold of 120 residues. Secondly, contact-guided decoys significantly improved success with β-sheet-rich proteins. Overall, the improved performance of contact-guided decoys suggests that MR is now applicable to a significantly wider range of protein targets than were previously tractable, and points to a direct benefit to structural biology from the recent remarkable advances in sequencing. PMID:27437113

General Retarded Contact Self-energies in and beyond the Non-equilibrium Green's Functions Method

NASA Astrophysics Data System (ADS)

Kubis, Tillmann; He, Yu; Andrawis, Robert; Klimeck, Gerhard

2016-03-01

Retarded contact self-energies in the framework of nonequilibrium Green's functions allow to model the impact of lead structures on the device without explicitly including the leads in the actual device calculation. Most of the contact self-energy algorithms are limited to homogeneous or periodic, semi-infinite lead structures. In this work, the complex absorbing potential method is extended to solve retarded contact self-energies for arbitrary lead structures, including irregular and randomly disordered leads. This method is verified for regular leads against common approaches and on physically equivalent, but numerically different irregular leads. Transmission results on randomly alloyed In0.5Ga0.5As structures show the importance of disorder in the leads. The concept of retarded contact self-energies is expanded to model passivation of atomically resolved surfaces without explicitly increasing the device's Hamiltonian.

BioVEC: a program for biomolecule visualization with ellipsoidal coarse-graining.

PubMed

Abrahamsson, Erik; Plotkin, Steven S

2009-09-01

Biomolecule Visualization with Ellipsoidal Coarse-graining (BioVEC) is a tool for visualizing molecular dynamics simulation data while allowing coarse-grained residues to be rendered as ellipsoids. BioVEC reads in configuration files, which may be output from molecular dynamics simulations that include orientation output in either quaternion or ANISOU format, and can render frames of the trajectory in several common image formats for subsequent concatenation into a movie file. The BioVEC program is written in C++, uses the OpenGL API for rendering, and is open source. It is lightweight, allows for user-defined settings for and texture, and runs on either Windows or Linux platforms.

ADRC for spacecraft attitude and position synchronization in libration point orbits

NASA Astrophysics Data System (ADS)

Gao, Chen; Yuan, Jianping; Zhao, Yakun

2018-04-01

This paper addresses the problem of spacecraft attitude and position synchronization in libration point orbits between a leader and a follower. Using dual quaternion, the dimensionless relative coupled dynamical model is derived considering computation efficiency and accuracy. Then a model-independent dimensionless cascade pose-feedback active disturbance rejection controller is designed to spacecraft attitude and position tracking control problems considering parameter uncertainties and external disturbances. Numerical simulations for the final approach phase in spacecraft rendezvous and docking and formation flying are done, and the results show high-precision tracking errors and satisfactory convergent rates under bounded control torque and force which validate the proposed approach.

Estimation of the object orientation and location with the use of MEMS sensors

NASA Astrophysics Data System (ADS)

Sawicki, Aleksander; Walendziuk, Wojciech; Idzkowski, Adam

2015-09-01

The article presents the implementation of the estimation algorithms of orientation in 3D space and the displacement of an object in a 2D space. Moreover, a general orientation storage methods using Euler angles, quaternion and rotation matrix are presented. The experimental part presents the results of the complementary filter implementation. In the study experimental microprocessor module based on STM32f4 Discovery system and myRIO hardware platform equipped with FPGA were used. The attempt to track an object in two-dimensional space, which are showed in the final part of this article, were made with the use of the equipment mentioned above.

Distributed measurement of polarization mode coupling in fiber ring based on P-OTDR complete polarization state detection.

PubMed

Huang, Zejia; Wu, Chongqing; Wang, Zhi; Wang, Jian; Liu, Lanlan

2018-02-19

Using a quaternion method, the polarization mode-coupling coefficient can be derived from three components of the Stokes vectors at three adjacent points along a fiber. A complete polarization optical time-domain reflectometry scheme for polarization mode coupling distributed measurement in polarization-maintaining fiber ring is proposed based on the above theoretical derivations. By comparing the measurement results of two opposite incident directions and two orthogonal polarization axes of polarization-maintaining fiber rings with different lengths, the feasibility and repeatability of the measurement scheme are verified experimentally with a positioning spatial resolution of 1 meter.

Explosive bulk charge

DOEpatents

Miller, Jacob Lee

2015-04-21

An explosive bulk charge, including: a first contact surface configured to be selectively disposed substantially adjacent to a structure or material; a second end surface configured to selectively receive a detonator; and a curvilinear side surface joining the first contact surface and the second end surface. The first contact surface, the second end surface, and the curvilinear side surface form a bi-truncated hemispherical structure. The first contact surface, the second end surface, and the curvilinear side surface are formed from an explosive material. Optionally, the first contact surface and the second end surface each have a substantially circular shape. Optionally, the first contact surface and the second end surface consist of planar structures that are aligned substantially parallel or slightly tilted with respect to one another. The curvilinear side surface has one of a smooth curved geometry, an elliptical geometry, and a parabolic geometry.

Switch contact device for interrupting high current, high voltage, AC and DC circuits

DOEpatents

Via, Lester C.; Witherspoon, F. Douglas; Ryan, John M.

2005-01-04

A high voltage switch contact structure capable of interrupting high voltage, high current AC and DC circuits. The contact structure confines the arc created when contacts open to the thin area between two insulating surfaces in intimate contact. This forces the arc into the shape of a thin sheet which loses heat energy far more rapidly than an arc column having a circular cross-section. These high heat losses require a dramatic increase in the voltage required to maintain the arc, thus extinguishing it when the required voltage exceeds the available voltage. The arc extinguishing process with this invention is not dependent on the occurrence of a current zero crossing and, consequently, is capable of rapidly interrupting both AC and DC circuits. The contact structure achieves its high performance without the use of sulfur hexafluoride.

Contact Prediction for Beta and Alpha-Beta Proteins Using Integer Linear Optimization and its Impact on the First Principles 3D Structure Prediction Method ASTRO-FOLD

PubMed Central

Rajgaria, R.; Wei, Y.; Floudas, C. A.

2010-01-01

An integer linear optimization model is presented to predict residue contacts in β, α + β, and α/β proteins. The total energy of a protein is expressed as sum of a Cα – Cα distance dependent contact energy contribution and a hydrophobic contribution. The model selects contacts that assign lowest energy to the protein structure while satisfying a set of constraints that are included to enforce certain physically observed topological information. A new method based on hydrophobicity is proposed to find the β-sheet alignments. These β-sheet alignments are used as constraints for contacts between residues of β-sheets. This model was tested on three independent protein test sets and CASP8 test proteins consisting of β, α + β, α/β proteins and was found to perform very well. The average accuracy of the predictions (separated by at least six residues) was approximately 61%. The average true positive and false positive distances were also calculated for each of the test sets and they are 7.58 Å and 15.88 Å, respectively. Residue contact prediction can be directly used to facilitate the protein tertiary structure prediction. This proposed residue contact prediction model is incorporated into the first principles protein tertiary structure prediction approach, ASTRO-FOLD. The effectiveness of the contact prediction model was further demonstrated by the improvement in the quality of the protein structure ensemble generated using the predicted residue contacts for a test set of 10 proteins. PMID:20225257

Tele-Autonomous control involving contact. Final Report Thesis; [object localization

NASA Technical Reports Server (NTRS)

Shao, Lejun; Volz, Richard A.; Conway, Lynn; Walker, Michael W.

1990-01-01

Object localization and its application in tele-autonomous systems are studied. Two object localization algorithms are presented together with the methods of extracting several important types of object features. The first algorithm is based on line-segment to line-segment matching. Line range sensors are used to extract line-segment features from an object. The extracted features are matched to corresponding model features to compute the location of the object. The inputs of the second algorithm are not limited only to the line features. Featured points (point to point matching) and featured unit direction vectors (vector to vector matching) can also be used as the inputs of the algorithm, and there is no upper limit on the number of the features inputed. The algorithm will allow the use of redundant features to find a better solution. The algorithm uses dual number quaternions to represent the position and orientation of an object and uses the least squares optimization method to find an optimal solution for the object's location. The advantage of using this representation is that the method solves for the location estimation by minimizing a single cost function associated with the sum of the orientation and position errors and thus has a better performance on the estimation, both in accuracy and speed, than that of other similar algorithms. The difficulties when the operator is controlling a remote robot to perform manipulation tasks are also discussed. The main problems facing the operator are time delays on the signal transmission and the uncertainties of the remote environment. How object localization techniques can be used together with other techniques such as predictor display and time desynchronization to help to overcome these difficulties are then discussed.

Improving the ohmic properties of contacts to P-GaN by adding p-type dopants into the metallization layer

NASA Astrophysics Data System (ADS)

Liday, Jozef; Vogrinčič, Peter; Vincze, Andrej; Breza, Juraj; Hotový, Ivan

2012-12-01

The work investigates an increase of the density of free charge carriers in the sub-surface region of p-GaN by adding p-type dopants into the Ni-O layer of an Au/Ni-O metallization structure. We have examined electrical properties and concentration depth profiles of contact structures Au/Ni-Mg-O/p-GaN and Au/Ni-Zn-O/p-GaN, thus with magnesium and zinc as p-type dopants. The metallization layers were deposited on p-GaN by DC reactive magnetron sputtering in an atmosphere with a low concentration of oxygen (0.2 at%). The contacts were annealed in N2 . We have found that the structures containing magnesium or zinc exhibit lower values of contact resistivity in comparison with otherwise identical contacts without Mg or Zn dopants. In our opinion, the lower values of contact resistivity of the structures containing of Mg or Zn are caused by an increased density of holes in the sub-surface region of p-GaN due to diffusion of Mg or Zn from the deposited doped contact layers.

Band Structure and Contact Resistance of Carbon Nanotubes Deformed by a Metal Contact.

PubMed

Hafizi, Roohollah; Tersoff, Jerry; Perebeinos, Vasili

2017-11-17

Capillary and van der Waals forces cause nanotubes to deform or even collapse under metal contacts. Using ab initio band structure calculations, we find that these deformations reduce the band gap by as much as 30%, while fully collapsed nanotubes become metallic. Moreover, degeneracy lifting due to the broken axial symmetry, and wave functions mismatch between the fully collapsed and the round portions of a CNT, lead to a 3 times higher contact resistance. The latter we demonstrate by contact resistance calculations within the tight-binding approach.

Integral finite element analysis of turntable bearing with flexible rings

NASA Astrophysics Data System (ADS)

Deng, Biao; Liu, Yunfei; Guo, Yuan; Tang, Shengjin; Su, Wenbin; Lei, Zhufeng; Wang, Pengcheng

2018-03-01

This paper suggests a method to calculate the internal load distribution and contact stress of the thrust angular contact ball turntable bearing by FEA. The influence of the stiffness of the bearing structure and the plastic deformation of contact area on the internal load distribution and contact stress of the bearing is considered. In this method, the load-deformation relationship of the rolling elements is determined by the finite element contact analysis of a single rolling element and the raceway. Based on this, the nonlinear contact between the rolling elements and the inner and outer ring raceways is same as a nonlinear compression spring and bearing integral finite element analysis model including support structure was established. The effects of structural deformation and plastic deformation on the built-in stress distribution of slewing bearing are investigated on basis of comparing the consequences of load distribution, inner and outer ring stress, contact stress and other finite element analysis results with the traditional bearing theory, which has guiding function for improving the design of slewing bearing.

Modular and hierarchical structure of social contact networks

NASA Astrophysics Data System (ADS)

Ge, Yuanzheng; Song, Zhichao; Qiu, Xiaogang; Song, Hongbin; Wang, Yong

2013-10-01

Social contact networks exhibit overlapping qualities of communities, hierarchical structure and spatial-correlated nature. We propose a mixing pattern of modular and growing hierarchical structures to reconstruct social contact networks by using an individual’s geospatial distribution information in the real world. The hierarchical structure of social contact networks is defined based on the spatial distance between individuals, and edges among individuals are added in turn from the modular layer to the highest layer. It is a gradual process to construct the hierarchical structure: from the basic modular model up to the global network. The proposed model not only shows hierarchically increasing degree distribution and large clustering coefficients in communities, but also exhibits spatial clustering features of individual distributions. As an evaluation of the method, we reconstruct a hierarchical contact network based on the investigation data of a university. Transmission experiments of influenza H1N1 are carried out on the generated social contact networks, and results show that the constructed network is efficient to reproduce the dynamic process of an outbreak and evaluate interventions. The reproduced spread process exhibits that the spatial clustering of infection is accordant with the clustering of network topology. Moreover, the effect of individual topological character on the spread of influenza is analyzed, and the experiment results indicate that the spread is limited by individual daily contact patterns and local clustering topology rather than individual degree.

Inferring population-level contact heterogeneity from common epidemic data

PubMed Central

Stack, J. Conrad; Bansal, Shweta; Kumar, V. S. Anil; Grenfell, Bryan

2013-01-01

Models of infectious disease spread that incorporate contact heterogeneity through contact networks are an important tool for epidemiologists studying disease dynamics and assessing intervention strategies. One of the challenges of contact network epidemiology has been the difficulty of collecting individual and population-level data needed to develop an accurate representation of the underlying host population's contact structure. In this study, we evaluate the utility of common epidemiological measures (R0, epidemic peak size, duration and final size) for inferring the degree of heterogeneity in a population's unobserved contact structure through a Bayesian approach. We test the method using ground truth data and find that some of these epidemiological metrics are effective at classifying contact heterogeneity. The classification is also consistent across pathogen transmission probabilities, and so can be applied even when this characteristic is unknown. In particular, the reproductive number, R0, turns out to be a poor classifier of the degree heterogeneity, while, unexpectedly, final epidemic size is a powerful predictor of network structure across the range of heterogeneity. We also evaluate our framework on empirical epidemiological data from past and recent outbreaks to demonstrate its application in practice and to gather insights about the relevance of particular contact structures for both specific systems and general classes of infectious disease. We thus introduce a simple approach that can shed light on the unobserved connectivity of a host population given epidemic data. Our study has the potential to inform future data-collection efforts and study design by driving our understanding of germane epidemic measures, and highlights a general inferential approach to learning about host contact structure in contemporary or historic populations of humans and animals. PMID:23034353

Beyond Cassie equation: Local structure of heterogeneous surfaces determines the contact angles of microdroplets

PubMed Central

Zhang, Bo; Wang, Jianjun; Liu, Zhiping; Zhang, Xianren

2014-01-01

The application of Cassie equation to microscopic droplets is recently under intense debate because the microdroplet dimension is often of the same order of magnitude as the characteristic size of substrate heterogeneities, and the mechanism to describe the contact angle of microdroplets is not clear. By representing real surfaces statistically as an ensemble of patterned surfaces with randomly or regularly distributed heterogeneities (patches), lattice Boltzmann simulations here show that the contact angle of microdroplets has a wide distribution, either continuous or discrete, depending on the patch size. The origin of multiple contact angles observed is ascribed to the contact line pinning effect induced by substrate heterogeneities. We demonstrate that the local feature of substrate structure near the contact line determines the range of contact angles that can be stabilized, while the certain contact angle observed is closely related to the contact line width. PMID:25059292

Predicting loop–helix tertiary structural contacts in RNA pseudoknots

PubMed Central

Cao, Song; Giedroc, David P.; Chen, Shi-Jie

2010-01-01

Tertiary interactions between loops and helical stems play critical roles in the biological function of many RNA pseudoknots. However, quantitative predictions for RNA tertiary interactions remain elusive. Here we report a statistical mechanical model for the prediction of noncanonical loop–stem base-pairing interactions in RNA pseudoknots. Central to the model is the evaluation of the conformational entropy for the pseudoknotted folds with defined loop–stem tertiary structural contacts. We develop an RNA virtual bond-based conformational model (Vfold model), which permits a rigorous computation of the conformational entropy for a given fold that contains loop–stem tertiary contacts. With the entropy parameters predicted from the Vfold model and the energy parameters for the tertiary contacts as inserted parameters, we can then predict the RNA folding thermodynamics, from which we can extract the tertiary contact thermodynamic parameters from theory–experimental comparisons. These comparisons reveal a contact enthalpy (ΔH) of −14 kcal/mol and a contact entropy (ΔS) of −38 cal/mol/K for a protonated C+•(G–C) base triple at pH 7.0, and (ΔH = −7 kcal/mol, ΔS = −19 cal/mol/K) for an unprotonated base triple. Tests of the model for a series of pseudoknots show good theory–experiment agreement. Based on the extracted energy parameters for the tertiary structural contacts, the model enables predictions for the structure, stability, and folding pathways for RNA pseudoknots with known or postulated loop–stem tertiary contacts from the nucleotide sequence alone. PMID:20100813

R2C: improving ab initio residue contact map prediction using dynamic fusion strategy and Gaussian noise filter.

PubMed

Yang, Jing; Jin, Qi-Yu; Zhang, Biao; Shen, Hong-Bin

2016-08-15

Inter-residue contacts in proteins dictate the topology of protein structures. They are crucial for protein folding and structural stability. Accurate prediction of residue contacts especially for long-range contacts is important to the quality of ab inito structure modeling since they can enforce strong restraints to structure assembly. In this paper, we present a new Residue-Residue Contact predictor called R2C that combines machine learning-based and correlated mutation analysis-based methods, together with a two-dimensional Gaussian noise filter to enhance the long-range residue contact prediction. Our results show that the outputs from the machine learning-based method are concentrated with better performance on short-range contacts; while for correlated mutation analysis-based approach, the predictions are widespread with higher accuracy on long-range contacts. An effective query-driven dynamic fusion strategy proposed here takes full advantages of the two different methods, resulting in an impressive overall accuracy improvement. We also show that the contact map directly from the prediction model contains the interesting Gaussian noise, which has not been discovered before. Different from recent studies that tried to further enhance the quality of contact map by removing its transitive noise, we designed a new two-dimensional Gaussian noise filter, which was especially helpful for reinforcing the long-range residue contact prediction. Tested on recent CASP10/11 datasets, the overall top L/5 accuracy of our final R2C predictor is 17.6%/15.5% higher than the pure machine learning-based method and 7.8%/8.3% higher than the correlated mutation analysis-based approach for the long-range residue contact prediction. http://www.csbio.sjtu.edu.cn/bioinf/R2C/Contact:hbshen@sjtu.edu.cn Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

A methodology for analysing lateral coupled behavior of high speed railway vehicles and structures

NASA Astrophysics Data System (ADS)

Antolín, P.; Goicolea, J. M.; Astiz, M. A.; Alonso, A.

2010-06-01

Continuous increment of the speed of high speed trains entails the increment of kinetic energy of the trains. The main goal of this article is to study the coupled lateral behavior of vehicle-structure systems for high speed trains. Non linear finite element methods are used for structures whereas multibody dynamics methods are employed for vehicles. Special attention must be paid when dealing with contact rolling constraints for coupling bridge decks and train wheels. The dynamic models must include mixed variables (displacements and creepages). Additionally special attention must be paid to the contact algorithms adequate to wheel-rail contact. The coupled vehicle-structure system is studied in a implicit dynamic framework. Due to the presence of very different systems (trains and bridges), different frequencies are involved in the problem leading to stiff systems. Regarding to contact methods, a main branch is studied in normal contact between train wheels and bridge decks: penalty method. According to tangential contact FastSim algorithm solves the tangential contact at each time step solving a differential equation involving relative displacements and creepage variables. Integration for computing the total forces in the contact ellipse domain is performed for each train wheel and each solver iteration. Coupling between trains and bridges requires a special treatment according to the kinetic constraints imposed in the wheel-rail pair and the load transmission. A numerical example is performed.

Ohmic contacts to p-GaN Using Au/Ni-Mg-O Metallization

NASA Astrophysics Data System (ADS)

Liday, Jozef; Vogrinčič, Peter; Hotový, Ivan; Bonanni, Alberta; Sitter, Helmut; Lalinský, Tibor; Vanko, Gabriel; Řeháček, Vlastimil; Breza, Juraj; Ecke, Gernot

2010-11-01

Electrical characteristics and elemental depth profiles of ohmic contacts to p-GaN using Au/Ni-Mg-Ox metallization have been investigated. The objective was to examine the possibilities of increasing the charge carrier concentration in the surface region of GaN by adding Mg, thus of a p-type dopant into the Au/NiOx metallization structure. For this purpose, a Ni-Mg-Ox layer with a low concentration of Mg was deposited on p-GaN by dc reactive magnetron sputtering. The top Au layer was deposited in a similar way. The fabricated contact structures were annealed in N2. When the Ni-Mg layer in the Au/Ni-Mg-Ox/p-GaN structure was deposited in an atmosphere with a low concentration of oxygen (0.2 at%), the structure exhibited a low resistance ohmic nature. The contact resistance was lower than in the case of a Au/Ni-Ox/p-GaN structure without the Mg dopant in the metallic layer. An increase in the concentration of oxygen in the working atmosphere resulted in higher values of the contact resistance of the Au/Ni-Mg-Ox/p-GaN structure. In our opinion the ohmic nature of the contact structure is related to the existence of a metal/p-NiO/p-GaN scheme. The measured values of the contact resistance in the Au/Ni-Mg-Ox/p-GaN structure in comparison with the Au/Ni-Ox/p-GaN structure are caused by an increased charge carrier concentration in the surface region of p-GaN, which is a consequence of Mg diffusion from the Ni-Mg-Ox layer.

The role of atomic level steric effects and attractive forces in protein folding.

PubMed

Lammert, Heiko; Wolynes, Peter G; Onuchic, José N

2012-02-01

Protein folding into tertiary structures is controlled by an interplay of attractive contact interactions and steric effects. We investigate the balance between these contributions using structure-based models using an all-atom representation of the structure combined with a coarse-grained contact potential. Tertiary contact interactions between atoms are collected into a single broad attractive well between the C(β) atoms between each residue pair in a native contact. Through the width of these contact potentials we control their tolerance for deviations from the ideal structure and the spatial range of attractive interactions. In the compact native state dominant packing constraints limit the effects of a coarse-grained contact potential. During folding, however, the broad attractive potentials allow an early collapse that starts before the native local structure is completely adopted. As a consequence the folding transition is broadened and the free energy barrier is decreased. Eventually two-state folding behavior is lost completely for systems with very broad attractive potentials. The stabilization of native-like residue interactions in non-perfect geometries early in the folding process frequently leads to structural traps. Global mirror images are a notable example. These traps are penalized by the details of the repulsive interactions only after further collapse. Successful folding to the native state requires simultaneous guidance from both attractive and repulsive interactions. Copyright © 2011 Wiley Periodicals, Inc.

Fabrication of micro/nano hierarchical structures with analysis on the surface mechanics

NASA Astrophysics Data System (ADS)

Jheng, Yu-Sheng; Lee, Yeeu-Chang

2016-10-01

Biomimicry refers to the imitation of mechanisms and features found in living creatures using artificial methods. This study used optical lithography, colloidal lithography, and dry etching to mimic the micro/nano hierarchical structures covering the soles of gecko feet. We measured the static contact angle and contact angle hysteresis to reveal the behavior of liquid drops on the hierarchical structures. Pulling tests were also performed to measure the resistance of movement between the hierarchical structures and a testing plate. Our results reveal that hierarchical structures at the micro-/nano-scale are considerably hydrophobic, they provide good flow characteristics, and they generate more contact force than do surfaces with micro-scale cylindrical structures.

Adhesion design maps for bio-inspired attachment systems.

PubMed

Spolenak, Ralph; Gorb, Stanislav; Arzt, Eduard

2005-01-01

Fibrous surface structures can improve the adhesion of objects to other surfaces. Animals, such as flies and geckos, take advantage of this principle by developing "hairy" contact structures which ensure controlled and repeatable adhesion and detachment. Mathematical models for fiber adhesion predict pronounced dependencies of contact performance on the geometry and the elastic properties of the fibers. In this paper the limits of such contacts imposed by fiber strength, fiber condensation, compliance, and ideal contact strength are modeled for spherical contact tips. Based on this, we introduce the concept of "adhesion design maps" which visualize the predicted mechanical behavior. The maps are useful for understanding biological systems and for guiding experimentation to achieve optimum artificial contacts.

Contact heterogeneities in feral swine: implications for disease management and future research

Treesearch

Kim M. Pepin; Amy J. Davis; James Beasley; Raoul  Boughton; Tyler  Campbell; Susan M. Cooper; Wes Gaston; Steve Hartley; John Kilgo; Samantha M. Wisely; Christy Wyckoff; Kurt C VerCauteren

2016-01-01

Contact rates vary widely among individuals in socially structured wildlife populations. Understanding the interplay of factors responsible for this variation is essential for planning effective disease management. Feral swine (Sus scrofa) are a socially structured species which pose an increasing threat to livestock and human health, and little is known about contact...

Structure of welded joints obtained by contact weld in nanostructured titanium

NASA Astrophysics Data System (ADS)

Klimenov, V. A.; Klopotov, A. A.; Gnysov, S. F.; Vlasov, V. A.; Lychagin, D. V.; Chumaevskii, A. V.

2015-10-01

The paper presents the research of the weld structure of two Ti specimens of the type VT6 that have nano- and submicrocrystalline structures. Electrical contact welding is used to obtain welds. The acicular structure is formed in the weld area. Two types of defects are detected, namely micropores and microcracks.

Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins

PubMed Central

Li, Bian; Mendenhall, Jeffrey; Nguyen, Elizabeth Dong; Weiner, Brian E.; Fischer, Axel W.; Meiler, Jens

2017-01-01

Prediction of the three-dimensional (3D) structures of proteins by computational methods is acknowledged as an unsolved problem. Accurate prediction of important structural characteristics such as contact number is expected to accelerate the otherwise slow progress being made in the prediction of 3D structure of proteins. Here, we present a dropout neural network-based method, TMH-Expo, for predicting the contact number of transmembrane helix (TMH) residues from sequence. Neuronal dropout is a strategy where certain neurons of the network are excluded from back-propagation to prevent co-adaptation of hidden-layer neurons. By using neuronal dropout, overfitting was significantly reduced and performance was noticeably improved. For multi-spanning helical membrane proteins, TMH-Expo achieved a remarkable Pearson correlation coefficient of 0.69 between predicted and experimental values and a mean absolute error of only 1.68. In addition, among those membrane protein–membrane protein interface residues, 76.8% were correctly predicted. Mapping of predicted contact numbers onto structures indicates that contact numbers predicted by TMH-Expo reflect the exposure patterns of TMHs and reveal membrane protein–membrane protein interfaces, reinforcing the potential of predicted contact numbers to be used as restraints for 3D structure prediction and protein–protein docking. TMH-Expo can be accessed via a Web server at www.meilerlab.org. PMID:26804342

Self-regulating chemo-mechano-chemical systems

DOEpatents

Aizenberg, Joanna; He, Ximin; Aizenberg, Michael

2017-05-16

A chemo-mechano-chemical (C.sub.1-M-C.sub.2) system includes a base supporting an actuatable structure, said structure comprising a functionalized portion and being embedded in an environmentally responsive gel capable of volume change in response to an environmental stimulus; a first fluid layer disposed over the base and in contact with the actuatable structure, said first fluid layer comprising the environmentally responsive gel; and a second fluid layer in contact with the actuatable structure, wherein the layers are positioned such that the functionalized portion is in contact with the second layer in a first relaxed state and in contact with the first layer in a second actuated state and wherein the functionalized portion interacts with at least one of the layers to provide a chemical or physical response.

An effective immunization strategy for airborne epidemics in modular and hierarchical social contact network

NASA Astrophysics Data System (ADS)

Song, Zhichao; Ge, Yuanzheng; Luo, Lei; Duan, Hong; Qiu, Xiaogang

2015-12-01

Social contact between individuals is the chief factor for airborne epidemic transmission among the crowd. Social contact networks, which describe the contact relationships among individuals, always exhibit overlapping qualities of communities, hierarchical structure and spatial-correlated. We find that traditional global targeted immunization strategy would lose its superiority in controlling the epidemic propagation in the social contact networks with modular and hierarchical structure. Therefore, we propose a hierarchical targeted immunization strategy to settle this problem. In this novel strategy, importance of the hierarchical structure is considered. Transmission control experiments of influenza H1N1 are carried out based on a modular and hierarchical network model. Results obtained indicate that hierarchical structure of the network is more critical than the degrees of the immunized targets and the modular network layer is the most important for the epidemic propagation control. Finally, the efficacy and stability of this novel immunization strategy have been validated as well.

Bouncing dynamics of liquid drops impact on ridge structure: an effective approach to reduce the contact time.

PubMed

Li, Tao; Zhang, Lishu; Wang, Zhichao; Duan, Yunrui; Li, Jie; Wang, Junjun; Li, Hui

2018-06-20

Surfaces designed so that liquid metals do not stick to them but instead rebound as soon as possible have received considerable attention due to their significant importance in many practical technologies. We herein design a ridge structure that can induce the drop to rapidly rebound through the combination effect of centre-drawing recoil and the resulting faster retraction velocity. The suitable sharp-angle of the ridge for minimizing the contact time is determined as 20-30°. Further analysis reveals that multi-ridge structure or two-ridge structure with gaps can reduce more contact time. We also highlight the role the impact velocity played in minimizing the contact time, which has been a neglected parameter previously. Our studies would open up a new way to reduce the contact time and control the bouncing dynamics of metal drops, which provides guidance for some potential applications, such as preventing splashing molten drops from depositing on clean surface.

Semiconductor structural damage attendant to contact formation in III-V solar cells

NASA Technical Reports Server (NTRS)

Fatemi, Navid S.; Weizer, Victor G.

1991-01-01

In order to keep the resistive losses in solar cells to a minimum, it is often necessary for the ohmic contacts to be heat treated to lower the metal-semiconductor contact resistivity to acceptable values. Sintering of the contacts, however can result in extensive mechanical damage of the semiconductor surface under the metallization. An investigation of the detailed mechanisms involved in the process of contact formation during heat treatment may control the structural damage incurred by the semiconductor surface to acceptable levels, while achieving the desired values of contact resistivity for the ohmic contacts. The reaction kinetics of sintered gold contacts to InP were determined. It was found that the Au-InP interaction involves three consecutive stages marked by distinct color changes observed on the surface of the Au, and that each stage is governed by a different mechanism. A detailed description of these mechanisms and options to control them are presented.

Hypercomplex Fourier transforms of color images.

PubMed

Ell, Todd A; Sangwine, Stephen J

2007-01-01

Fourier transforms are a fundamental tool in signal and image processing, yet, until recently, there was no definition of a Fourier transform applicable to color images in a holistic manner. In this paper, hypercomplex numbers, specifically quaternions, are used to define a Fourier transform applicable to color images. The properties of the transform are developed, and it is shown that the transform may be computed using two standard complex fast Fourier transforms. The resulting spectrum is explained in terms of familiar phase and modulus concepts, and a new concept of hypercomplex axis. A method for visualizing the spectrum using color graphics is also presented. Finally, a convolution operational formula in the spectral domain is discussed.

Almost commuting self-adjoint matrices: The real and self-dual cases

NASA Astrophysics Data System (ADS)

Loring, Terry A.; Sørensen, Adam P. W.

2016-08-01

We show that a pair of almost commuting self-adjoint, symmetric matrices is close to a pair of commuting self-adjoint, symmetric matrices (in a uniform way). Moreover, we prove that the same holds with self-dual in place of symmetric and also for paths of self-adjoint matrices. Since a symmetric, self-adjoint matrix is real, we get a real version of Huaxin Lin’s famous theorem on almost commuting matrices. Similarly, the self-dual case gives a version for matrices over the quaternions. To prove these results, we develop a theory of semiprojectivity for real C*-algebras and also examine various definitions of low-rank for real C*-algebras.

Optimal ancilla-free Pauli+V circuits for axial rotations

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

Blass, Andreas; Bocharov, Alex; Gurevich, Yuri

We address the problem of optimal representation of single-qubit rotations in a certain unitary basis consisting of the so-called V gates and Pauli matrices. The V matrices were proposed by Lubotsky, Philips, and Sarnak [Commun. Pure Appl. Math. 40, 401–420 (1987)] as a purely geometric construct in 1987 and recently found applications in quantum computation. They allow for exceptionally simple quantum circuit synthesis algorithms based on quaternionic factorization. We adapt the deterministic-search technique initially proposed by Ross and Selinger to synthesize approximating Pauli+V circuits of optimal depth for single-qubit axial rotations. Our synthesis procedure based on simple SL{sub 2}(ℤ) geometrymore » is almost elementary.« less

Attitude algorithm and initial alignment method for SINS applied in short-range aircraft

NASA Astrophysics Data System (ADS)

Zhang, Rong-Hui; He, Zhao-Cheng; You, Feng; Chen, Bo

2017-07-01

This paper presents an attitude solution algorithm based on the Micro-Electro-Mechanical System and quaternion method. We completed the numerical calculation and engineering practice by adopting fourth-order Runge-Kutta algorithm in the digital signal processor. The state space mathematical model of initial alignment in static base was established, and the initial alignment method based on Kalman filter was proposed. Based on the hardware in the loop simulation platform, the short-range flight simulation test and the actual flight test were carried out. The results show that the error of pitch, yaw and roll angle is fast convergent, and the fitting rate between flight simulation and flight test is more than 85%.

Health: The No-Man's-Land Between Physics and Biology.

PubMed

Mansfield, Peter J

2015-10-01

Health as a positive attribute is poorly understood because understanding requires concepts from physics, of which physicians and other life scientists have a very poor grasp. This paper reviews the physics that bears on biology, in particular complex quaternions and scalar fields, relates these to the morphogenetic fields proposed by biologists, and defines health as an attribute of living action within these fields. The distinction of quality, as juxtaposed with quantity, proves essential. Its basic properties are set out, but a science and mathematics of quality are awaited. The implications of this model are discussed, particularly as proper health enhancement could set a natural limit to demand for, and therefore the cost of, medical services.

Analysis of inter-residue contacts reveals folding stabilizers in P-loops of potassium, sodium, and TRPV channels.

PubMed

Korkosh, V S; Zhorov, B S; Tikhonov, D B

2016-05-01

The family of P-loop channels includes potassium, sodium, calcium, cyclic nucleotide-gated and TRPV channels, as well as ionotropic glutamate receptors. Despite vastly different physiological and pharmacological properties, the channels have structurally conserved folding of the pore domain. Furthermore, crystallographic data demonstrate surprisingly similar mutual disposition of transmembrane and membrane-diving helices. To understand determinants of this conservation, here we have compared available high-resolution structures of sodium, potassium, and TRPV1 channels. We found that some residues, which are in matching positions of the sequence alignment, occur in different positions in the 3D alignment. Surprisingly, we found 3D mismatches in well-packed P-helices. Analysis of energetics of individual residues in Monte Carlo minimized structures revealed cyclic patterns of energetically favorable inter- and intra-subunit contacts of P-helices with S6 helices. The inter-subunit contacts are rather conserved in all the channels, whereas the intra-subunit contacts are specific for particular types of the channels. Our results suggest that these residue-residue contacts contribute to the folding stabilization. Analysis of such contacts is important for structural and phylogenetic studies of homologous proteins.

On Special Functions in the Context of Clifford Analysis

NASA Astrophysics Data System (ADS)

Malonek, H. R.; Falcão, M. I.

2010-09-01

Considering the foundation of Quaternionic Analysis by R. Fueter and his collaborators in the beginning of the 1930s as starting point of Clifford Analysis, we can look back to 80 years of work in this field. However the interest in multivariate analysis using Clifford algebras only started to grow significantly in the 70s. Since then a great amount of papers on Clifford Analysis referring different classes of Special Functions have appeared. This situation may have been triggered by a more systematic treatment of monogenic functions by their multiple series development derived from Gegenbauer or associated Legendre polynomials (and not only by their integral representation). Also approaches to Special Functions by means of algebraic methods, either Lie algebras or through Lie groups and symmetric spaces gained by that time importance and influenced their treatment in Clifford Analysis. In our talk we will rely on the generalization of the classical approach to Special Functions through differential equations with respect to the hypercomplex derivative, which is a more recently developed tool in Clifford Analysis. In this context special attention will be payed to the role of Special Functions as intermediator between continuous and discrete mathematics. This corresponds to a more recent trend in combinatorics, since it has been revealed that many algebraic structures have hidden combinatorial underpinnings.

The Micromechanics of the Moving Contact Line

NASA Technical Reports Server (NTRS)

Han, Minsub; Lichter, Seth; Lin, Chih-Yu; Perng, Yeong-Yan

1996-01-01

The proposed research is divided into three components concerned with molecular structure, molecular orientation, and continuum averages of discrete systems. In the experimental program, we propose exploring how changes in interfacial molecular structure generate contact line motion. Rather than rely on the electrostatic and electrokinetic fields arising from the molecules themselves, we augment their interactions by an imposed field at the solid/liquid interface. By controling the field, we can manipulate the molecular structure at the solid/liquid interface. In response to controlled changes in molecular structure, we observe the resultant contact line motion. In the analytical portion of the proposed research we seek to formulate a system of equations governing fluid motion which accounts for the orientation of fluid molecules. In preliminary work, we have focused on describing how molecular orientation affects the forces generated at the moving contact line. Ideally, as assumed above, the discrete behavior of molecules can be averaged into a continuum theory. In the numerical portion of the proposed research, we inquire whether the contact line region is, in fact, large enough to possess a well-defined average. Additionally, we ask what types of behavior distinguish discrete systems from continuum systems. Might the smallness of the contact line region, in itself, lead to behavior different from that in the bulk? Taken together, our proposed research seeks to identify and accurately account for some of the molecular dynamics of the moving contact line, and attempts to formulate a description from which one can compute the forces at the moving contact line.

Statistical potential-based amino acid similarity matrices for aligning distantly related protein sequences.

PubMed

Tan, Yen Hock; Huang, He; Kihara, Daisuke

2006-08-15

Aligning distantly related protein sequences is a long-standing problem in bioinformatics, and a key for successful protein structure prediction. Its importance is increasing recently in the context of structural genomics projects because more and more experimentally solved structures are available as templates for protein structure modeling. Toward this end, recent structure prediction methods employ profile-profile alignments, and various ways of aligning two profiles have been developed. More fundamentally, a better amino acid similarity matrix can improve a profile itself; thereby resulting in more accurate profile-profile alignments. Here we have developed novel amino acid similarity matrices from knowledge-based amino acid contact potentials. Contact potentials are used because the contact propensity to the other amino acids would be one of the most conserved features of each position of a protein structure. The derived amino acid similarity matrices are tested on benchmark alignments at three different levels, namely, the family, the superfamily, and the fold level. Compared to BLOSUM45 and the other existing matrices, the contact potential-based matrices perform comparably in the family level alignments, but clearly outperform in the fold level alignments. The contact potential-based matrices perform even better when suboptimal alignments are considered. Comparing the matrices themselves with each other revealed that the contact potential-based matrices are very different from BLOSUM45 and the other matrices, indicating that they are located in a different basin in the amino acid similarity matrix space.

Disease-emergence dynamics and control in a socially-structured wildlife species

NASA Astrophysics Data System (ADS)

Pepin, Kim M.; Vercauteren, Kurt C.

2016-04-01

Once a pathogen is introduced in a population, key factors governing rate of spread include contact structure, supply of susceptible individuals and pathogen life-history. We examined the interplay of these factors on emergence dynamics and efficacy of disease prevention and response. We contrasted transmission dynamics of livestock viruses with different life-histories in hypothetical populations of feral swine with different contact structures (homogenous, metapopulation, spatial and network). Persistence probability was near 0 for the FMDV-like case under a wide range of parameter values and contact structures, while persistence was probable for the CSFV-like case. There were no sets of conditions where the FMDV-like pathogen persisted in every stochastic simulation. Even when population growth rates were up to 300% annually, the FMDV-like pathogen persisted in <25% of simulations regardless of transmission probabilities and contact structure. For networks and spatial contact structure, persistence probability of the FMDV-like pathogen was always <10%. Because of its low persistence probability, even very early response to the FMDV-like pathogen in feral swine was unwarranted while response to the CSFV-like pathogen was generally effective. When pre-emergence culling of feral swine caused population declines, it was effective at decreasing outbreak size of both diseases by ≥80%.

DNA–protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar

PubMed Central

Wilson, Katie A.; Kellie, Jennifer L.; Wetmore, Stacey D.

2014-01-01

Four hundred twenty-eight high-resolution DNA–protein complexes were chosen for a bioinformatics study. Although 164 crystal structures (38% of those searched) contained no interactions, 574 discrete π–contacts between the aromatic amino acids and the DNA nucleobases or deoxyribose were identified using strict criteria, including visual inspection. The abundance and structure of the interactions were determined by unequivocally classifying the contacts as either π–π stacking, π–π T-shaped or sugar–π contacts. Three hundred forty-four nucleobase–amino acid π–π contacts (60% of all interactions identified) were identified in 175 of the crystal structures searched. Unprecedented in the literature, 230 DNA–protein sugar–π contacts (40% of all interactions identified) were identified in 137 crystal structures, which involve C–H···π and/or lone–pair···π interactions, contain any amino acid and can be classified according to sugar atoms involved. Both π–π and sugar–π interactions display a range of relative monomer orientations and therefore interaction energies (up to –50 (–70) kJ mol−1 for neutral (charged) interactions as determined using quantum chemical calculations). In general, DNA–protein π-interactions are more prevalent than perhaps currently accepted and the role of such interactions in many biological processes may yet to be uncovered. PMID:24744240

On the structure of contact binaries. I - The contact discontinuity

NASA Technical Reports Server (NTRS)

Shu, F. H.; Lubow, S. H.; Anderson, L.

1976-01-01

The problem of the interior structure of contact binaries is reviewed, and a simple resolution of the difficulties which plague the theory is suggested. It is proposed that contact binaries contain a contact discontinuity between the lower surface of the common envelope and the Roche lobe of the cooler star. This discontinuity is maintained against thermal diffusion by fluid flow, and the transition layer is thin to the extent that the dynamical time scale is short in comparison with the thermal time scale. The idealization that the transition layer has infinitesimal thickness allows a simple formulation of the structure equations which are closed by appropriate jump conditions across the discontinuity. The further imposition of the standard boundary conditions suffices to define a unique model for the system once the chemical composition, the masses of the two stars, and the orbital separation are specified.

Finite element based contact analysis of radio frequency MEMs switch membrane surfaces

NASA Astrophysics Data System (ADS)

Liu, Jin-Ya; Chalivendra, Vijaya; Huang, Wenzhen

2017-10-01

Finite element simulations were performed to determine the contact behavior of radio frequency (RF) micro-electro-mechanical (MEM) switch contact surfaces under monotonic and cyclic loading conditions. Atomic force microscopy (AFM) was used to capture the topography of RF-MEM switch membranes and later they were analyzed for multi-scale regular as well as fractal structures. Frictionless, non-adhesive contact 3D finite element analysis was carried out at different length scales to investigate the contact behavior of the regular-fractal surface using an elasto-plastic material model. Dominant micro-scale regular patterns were found to significantly change the contact behavior. Contact areas mainly cluster around the regular pattern. The contribution from the fractal structure is not significant. Under cyclic loading conditions, plastic deformation in the 1st loading/unloading cycle smooth the surface. The subsequent repetitive loading/unloading cycles undergo elastic contact without changing the morphology of the contacting surfaces. The work is expected to shed light on the quality of the switch surface contact as well as the optimum design of RF MEM switch surfaces.

Ultralow contact angle hysteresis and no-aging effects in superhydrophobic tangled nanofiber structures generated by controlling the pore size of a 99.5% aluminum foil

NASA Astrophysics Data System (ADS)

Lee, Sangmin; Hwang, Woonbong

2009-03-01

Superhydrophobic surfaces designed to improve hydrophobicity have high advancing contact angles corresponding to the Cassie state, but these surfaces also exhibit high contact angle hysteresis. We report here a simple and inexpensive method for fabricating superhydrophobic tangled nanofiber structures with ultralow contact angle hysteresis and no-aging degradation, based on a widening process. The resulting nanostructures are suitable for diverse applications including microfluidic devices for biological studies and industrial self-cleaning products for automobiles, ships and houses.

Aurelia aurita (Cnidaria) Oocytes' Contact Plate Structure and Development

PubMed Central

Adonin, Leonid S.; Shaposhnikova, Tatyana G.; Podgornaya, Olga

2012-01-01

One of the A. aurita medusa main mesoglea polypeptides, mesoglein, has been described previously. Mesoglein belongs to ZP-domain protein family and therefore we focused on A.aurita oogenesis. Antibodies against mesoglein (AB RA47) stain the plate in the place where germinal epithelium contacts oocyte on the paraffin sections. According to its position, we named the structure found the “contact plate”. Our main instrument was AB against mesoglein. ZP-domain occupies about half of the whole amino acid sequence of the mesoglein. Immunoblot after SDS-PAGE and AU-PAGE reveals two charged and high Mr bands among the female gonad germinal epithelium polypeptides. One of the gonads' polypeptides Mr corresponds to that of mesogleal cells, the other ones' Mr is higher. The morphological description of contact plate formation is the subject of the current work. Two types of AB RA47 positive granules were observed during progressive oogenesis stages. Granules form the contact plate in mature oocyte. Contact plate of A.aurita oocyte marks its animal pole and resembles Zona Pellucida by the following features: (1) it attracts spermatozoids; (2) the material of the contact plate is synthesized by oocyte and stored in granules; (3) these granules and the contact plate itself contain ZP domain protein(s); (4) contact plate is an extracellular structure made up of fiber bundles similar to those of conventional Zona Pellucida. PMID:23185235

A methodology to model physical contact between structural components in NASTRAN

NASA Technical Reports Server (NTRS)

Prabhu, Annappa A.

1993-01-01

Two components of a structure which are located side by side, will come in contact by certain force and will transfer the compressive force along the contact area. If the force acts in the opposite direction, the elements will separate and no force will be transferred. If this contact is modeled, the load path will be correctly represented, and the load redistribution results in more realistic stresses in the structure. This is accomplished by using different sets of rigid elements for different loading conditions, or by creating multipoint constraint sets. Comparison of these two procedures is presented for a 4 panel unit (PU) stowage drawer installed in an experiment rack in the Spacelab Life Sciences (SLS-2) payload.

3D sensor algorithms for spacecraft pose determination

NASA Astrophysics Data System (ADS)

Trenkle, John M.; Tchoryk, Peter, Jr.; Ritter, Greg A.; Pavlich, Jane C.; Hickerson, Aaron S.

2006-05-01

Researchers at the Michigan Aerospace Corporation have developed accurate and robust 3-D algorithms for pose determination (position and orientation) of satellites as part of an on-going effort supporting autonomous rendezvous, docking and space situational awareness activities. 3-D range data from a LAser Detection And Ranging (LADAR) sensor is the expected input; however, the approach is unique in that the algorithms are designed to be sensor independent. Parameterized inputs allow the algorithms to be readily adapted to any sensor of opportunity. The cornerstone of our approach is the ability to simulate realistic range data that may be tailored to the specifications of any sensor. We were able to modify an open-source raytracing package to produce point cloud information from which high-fidelity simulated range images are generated. The assumptions made in our experimentation are as follows: 1) we have access to a CAD model of the target including information about the surface scattering and reflection characteristics of the components; 2) the satellite of interest may appear at any 3-D attitude; 3) the target is not necessarily rigid, but does have a limited number of configurations; and, 4) the target is not obscured in any way and is the only object in the field of view of the sensor. Our pose estimation approach then involves rendering a large number of exemplars (100k to 5M), extracting 2-D (silhouette- and projection-based) and 3-D (surface-based) features, and then training ensembles of decision trees to predict: a) the 4-D regions on a unit hypersphere into which the unit quaternion that represents the vehicle [Q X, Q Y, Q Z, Q W] is pointing, and, b) the components of that unit quaternion. Results have been quite promising and the tools and simulation environment developed for this application may also be applied to non-cooperative spacecraft operations, Autonomous Hazard Detection and Avoidance (AHDA) for landing craft, terrain mapping, vehicle guidance, path planning and obstacle avoidance.

An Empirical Comparison between Two Recursive Filters for Attitude and Rate Estimation of Spinning Spacecraft

NASA Technical Reports Server (NTRS)

Harman, Richard R.

2006-01-01

The advantages of inducing a constant spin rate on a spacecraft are well known. A variety of science missions have used this technique as a relatively low cost method for conducting science. Starting in the late 1970s, NASA focused on building spacecraft using 3-axis control as opposed to the single-axis control mentioned above. Considerable effort was expended toward sensor and control system development, as well as the development of ground systems to independently process the data. As a result, spinning spacecraft development and their resulting ground system development stagnated. In the 1990s, shrinking budgets made spinning spacecraft an attractive option for science. The attitude requirements for recent spinning spacecraft are more stringent and the ground systems must be enhanced in order to provide the necessary attitude estimation accuracy. Since spinning spacecraft (SC) typically have no gyroscopes for measuring attitude rate, any new estimator would need to rely on the spacecraft dynamics equations. One estimation technique that utilized the SC dynamics and has been used successfully in 3-axis gyro-less spacecraft ground systems is the pseudo-linear Kalman filter algorithm. Consequently, a pseudo-linear Kalman filter has been developed which directly estimates the spacecraft attitude quaternion and rate for a spinning SC. Recently, a filter using Markley variables was developed specifically for spinning spacecraft. The pseudo-linear Kalman filter has the advantage of being easier to implement but estimates the quaternion which, due to the relatively high spinning rate, changes rapidly for a spinning spacecraft. The Markley variable filter is more complicated to implement but, being based on the SC angular momentum, estimates parameters which vary slowly. This paper presents a comparison of the performance of these two filters. Monte-Carlo simulation runs will be presented which demonstrate the advantages and disadvantages of both filters.

Determination of contact maps in proteins: A combination of structural and chemical approaches

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

Wołek, Karol; Cieplak, Marek, E-mail: mc@ifpan.edu.pl; Gómez-Sicilia, Àngel

2015-12-28

Contact map selection is a crucial step in structure-based molecular dynamics modelling of proteins. The map can be determined in many different ways. We focus on the methods in which residues are represented as clusters of effective spheres. One contact map, denoted as overlap (OV), is based on the overlap of such spheres. Another contact map, named Contacts of Structural Units (CSU), involves the geometry in a different way and, in addition, brings chemical considerations into account. We develop a variant of the CSU approach in which we also incorporate Coulombic effects such as formation of the ionic bridges andmore » destabilization of possible links through repulsion. In this way, the most essential and well defined contacts are identified. The resulting residue-residue contact map, dubbed repulsive CSU (rCSU), is more sound in its physico-chemical justification than CSU. It also provides a clear prescription for validity of an inter-residual contact: the number of attractive atomic contacts should be larger than the number of repulsive ones — a feature that is not present in CSU. However, both of these maps do not correlate well with the experimental data on protein stretching. Thus, we propose to use rCSU together with the OV map. We find that the combined map, denoted as OV+rCSU, performs better than OV. In most situations, OV and OV+rCSU yield comparable folding properties but for some proteins rCSU provides contacts which improve folding in a substantial way. We discuss the likely residue-specificity of the rCSU contacts. Finally, we make comparisons to the recently proposed shadow contact map, which is derived from different principles.« less

A study of the Au/Ni ohmic contact on p-GaN

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

Qiao, D.; Yu, L. S.; Lau, S. S.

2000-10-01

The formation mechanism of the ohmic Au/Ni/p-GaN contact has been investigated. We found that it is essential to (i) deposit a structure of Au and Ni in the proper deposition sequence, and (ii) anneal the bilayer structure in an oxygen containing ambient. Our findings indicated that oxygen assists the layer-reversal reactions of the metallized layers to form a structure of NiO/Au/p-GaN. The presence of oxygen during annealing appears to increase the conductivity of the p-GaN. It is further suggested that Ni removes or reduces the surface contamination of the GaN sample before or during layer reversal. In the final contactmore » structure, an Au layer, which has a large work function, is in contact with the p-GaN substrate. The presence of Au in the entire contacting layer improves the conductivity of the contact. An ohmic formation mechanism based on our experimental results is proposed and discussed in this work. (c) 2000 American Institute of Physics.« less

High-resolution of particle contacts via fluorophore exclusion in deep-imaging of jammed colloidal packings

NASA Astrophysics Data System (ADS)

Kyeyune-Nyombi, Eru; Morone, Flaviano; Liu, Wenwei; Li, Shuiqing; Gilchrist, M. Lane; Makse, Hernán A.

2018-01-01

Understanding the structural properties of random packings of jammed colloids requires an unprecedented high-resolution determination of the contact network providing mechanical stability to the packing. Here, we address the determination of the contact network by a novel strategy based on fluorophore signal exclusion of quantum dot nanoparticles from the contact points. We use fluorescence labeling schemes on particles inspired by biology and biointerface science in conjunction with fluorophore exclusion at the contact region. The method provides high-resolution contact network data that allows us to measure structural properties of the colloidal packing near marginal stability. We determine scaling laws of force distributions, soft modes, correlation functions, coordination number and free volume that define the universality class of jammed colloidal packings and can be compared with theoretical predictions. The contact detection method opens up further experimental testing at the interface of jamming and glass physics.

Composition, apparatus, and process, for sorption of gaseous compounds of group II-VII elements

DOEpatents

Tom, Glenn M.; McManus, James V.; Luxon, Bruce A.

1991-08-06

Scavenger compositions are disclosed, which have utility for effecting the sorptive removal of hazardous gases containing Group II-VII elements of the Periodic Table, such as are widely encountered in the manufacture of semiconducting materials and semiconductor devices. Gas sorption processes including the contacting of Group II-VII gaseous compounds with such scavenger compositions are likewise disclosed, together with critical space velocity contacting conditions pertaining thereto. Further described are gas contacting apparatus, including mesh structures which may be deployed in gas contacting vessels containing such scavenger compositions, to prevent solids from being introduced to or discharged from the contacting vessel in the gas stream undergoing treatment. A reticulate heat transfer structure also is disclosed, for dampening localized exothermic reaction fronts when gas mixtures comprising Group II-VII constituents are contacted with the scavenger compositions in bulk sorption contacting vessels according to the invention.

Droplet sliding on inclined superhydrophobic surfaces: the effect of anisotropic contact line

NASA Astrophysics Data System (ADS)

Jiang, Youhua; Cao, Lile; Guo, Zongqi; Choi, Chang-Hwan

2017-11-01

Although the effects of solid structures on droplet retention on superhydrophobic surfaces have been studied extensively, the investigation has been restricted to the sessile droplets on horizontal surfaces where the contact line motions are axisymmetric or isotropic (either advancing or receding). In the droplet retention on inclined surfaces, the contact line motions are asymmetric or anisotropic; the advancing and receding motions coexist. In this study, we investigate the correlation between the droplet boundary pinning and the surface morphology on inclined superhydrophobic surfaces. The evolution of the droplet contact angle and width show contrary behaviors between pillar- and pore-structured surfaces due to the distinctive microscopic contact line motions. Therefore, the visualizations of the contact line motions at different locations of the boundary on inclined superhydrophobic surfaces are performed and the averaged contact line density of the boundary is quantified. The result shows that the droplet retentive force monotonously increase with the increase in contact line density, regardless of the surface morphological types, dimensions, or the direction of contact line motion (advancing, receding, or both). The result indicates that the droplet retentive force on superhydrophobic surfaces is mainly determined by the contact line density, regardless of the isotropy of the contact line.

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High sensitivity, solid state neutron detector

DOEpatents

Stradins, Pauls; Branz, Howard M; Wang, Qi; McHugh, Harold R

2015-05-12

An apparatus (200) for detecting slow or thermal neutrons (160). The apparatus (200) includes an alpha particle-detecting layer (240) that is a hydrogenated amorphous silicon p-i-n diode structure. The apparatus includes a bottom metal contact (220) and a top metal contact (250) with the diode structure (240) positioned between the two contacts (220, 250) to facilitate detection of alpha particles (170). The apparatus (200) includes a neutron conversion layer (230) formed of a material containing boron-10 isotopes. The top contact (250) is pixilated with each contact pixel extending to or proximate to an edge of the apparatus to facilitate electrical contacting. The contact pixels have elongated bodies to allow them to extend across the apparatus surface (242) with each pixel having a small surface area to match capacitance based upon a current spike detecting circuit or amplifier connected to each pixel. The neutron conversion layer (860) may be deposited on the contact pixels (830) such as with use of inkjet printing of nanoparticle ink.

High sensitivity, solid state neutron detector

DOEpatents

Stradins, Pauls; Branz, Howard M.; Wang, Qi; McHugh, Harold R.

2013-10-29

An apparatus (200) for detecting slow or thermal neutrons (160) including an alpha particle-detecting layer (240) that is a hydrogenated amorphous silicon p-i-n diode structure. The apparatus includes a bottom metal contact (220) and a top metal contact (250) with the diode structure (240) positioned between the two contacts (220, 250) to facilitate detection of alpha particles (170). The apparatus (200) includes a neutron conversion layer (230) formed of a material containing boron-10 isotopes. The top contact (250) is pixilated with each contact pixel extending to or proximate to an edge of the apparatus to facilitate electrical contacting. The contact pixels have elongated bodies to allow them to extend across the apparatus surface (242) with each pixel having a small surface area to match capacitance based upon a current spike detecting circuit or amplifier connected to each pixel. The neutron conversion layer (860) may be deposited on the contact pixels (830) such as with use of inkjet printing of nanoparticle ink.

Toward Realistic Dynamics of Rotating Orbital Debris, and Implications for Lightcurve Interpretation

NASA Technical Reports Server (NTRS)

Ojakangas, Gregory W.; Cowardin, H.; Hill, N.

2011-01-01

Optical observations of rotating space debris near GEO contain important information on size, shape, composition, and rotational states, but these aspects are difficult to extract due to data limitations and the high number of degrees of freedom in the modeling process. For tri-axial rigid debris objects created by satellite fragmentations, the most likely initial rotation state has a large component of initial angular velocity directed along the intermediate axis of inertia, leading to large angular reorientations of the body on the timescale of the rotation period. This lends some support to the simplest possible interpretation of light curves -- that they represent sets of random orientations of the objects of study. However, effects of internal friction and solar radiation are likely to cause significant modification of rotation states within a time as short as a few orbital periods. In order to examine the rotational dynamics of debris objects under the influences of these effects, a set of seven first-order coupled equations of motion were assembled in state form: three are Euler equations describing the rates of change of the components of angular velocity in the body frame, and four describe the rates of change of the components of the unit quaternion. Quaternions are a four-dimensional extension of complex numbers that form a seamless, singularity-free representation of body orientation on S3. The Euler equations contain explicit terms describing torque from solar radiation in terms of spherical harmonics, and terms representing effects of a prescribed rate of internal friction. Numerical integrations of these equations of motion are being performed, and results will be presented. Initial tests show that internal friction without solar radiation torque leads to rotation about the maximum principal axis of inertia, as required, and solar radiation torque is expected to lead to spin-up of objects. Because the axis of maximum rotational inertia tends to be roughly coincident with the normal to the largest projected cross-sectional area, internal friction is expected to lead to reduced variation of light curve amplitudes at a given phase angle, but a large dependence of the same on phase angle. At a given phase angle, databases are generated which contain reflected intensities for comprehensive sets of equally-likely orientations, represented as unit quaternions. When projected onto three dimensions (S2) and color-coded by intensity, the set is depicted as points within a solid, semi-transparent unit sphere, within which all possible reflected intensities for an object at a given phase angle may be inspected simultaneously. Rotational sequences are represented by trajectories through the sphere. Databases are generated for each of a set of phase angles separately, forming a comprehensive dataset of reflected intensities spanning all object orientations and solar phase angles. Symmetries in the problem suggest that preferred rotation states are likely, defined relative to the object-sun direction in inertial space and relative to the maximum principal axis of inertia in the body coordinate system. Such rotation states may greatly simplify the problem of light curve interpretation by reducing the number of degrees of freedom in the problem.

A sparse autoencoder-based deep neural network for protein solvent accessibility and contact number prediction.

PubMed

Deng, Lei; Fan, Chao; Zeng, Zhiwen

2017-12-28

Direct prediction of the three-dimensional (3D) structures of proteins from one-dimensional (1D) sequences is a challenging problem. Significant structural characteristics such as solvent accessibility and contact number are essential for deriving restrains in modeling protein folding and protein 3D structure. Thus, accurately predicting these features is a critical step for 3D protein structure building. In this study, we present DeepSacon, a computational method that can effectively predict protein solvent accessibility and contact number by using a deep neural network, which is built based on stacked autoencoder and a dropout method. The results demonstrate that our proposed DeepSacon achieves a significant improvement in the prediction quality compared with the state-of-the-art methods. We obtain 0.70 three-state accuracy for solvent accessibility, 0.33 15-state accuracy and 0.74 Pearson Correlation Coefficient (PCC) for the contact number on the 5729 monomeric soluble globular protein dataset. We also evaluate the performance on the CASP11 benchmark dataset, DeepSacon achieves 0.68 three-state accuracy and 0.69 PCC for solvent accessibility and contact number, respectively. We have shown that DeepSacon can reliably predict solvent accessibility and contact number with stacked sparse autoencoder and a dropout approach.

Contact networks structured by sex underpin sex-specific epidemiology of infection.

PubMed

Silk, Matthew J; Weber, Nicola L; Steward, Lucy C; Hodgson, David J; Boots, Mike; Croft, Darren P; Delahay, Richard J; McDonald, Robbie A

2018-02-01

Contact networks are fundamental to the transmission of infection and host sex often affects the acquisition and progression of infection. However, the epidemiological impacts of sex-related variation in animal contact networks have rarely been investigated. We test the hypothesis that sex-biases in infection are related to variation in multilayer contact networks structured by sex in a population of European badgers Meles meles naturally infected with Mycobacterium bovis. Our key results are that male-male and between-sex networks are structured at broader spatial scales than female-female networks and that in male-male and between-sex contact networks, but not female-female networks, there is a significant relationship between infection and contacts with individuals in other groups. These sex differences in social behaviour may underpin male-biased acquisition of infection and may result in males being responsible for more between-group transmission. This highlights the importance of sex-related variation in host behaviour when managing animal diseases. © 2017 The Authors. Ecology Letters published by CNRS and John Wiley & Sons Ltd.

Selective Requirement for Maintenance of Synaptic Contacts onto Motoneurons by Target-Derived trkB Receptors

PubMed Central

2016-01-01

Synaptic contacts onto motoneurons were studied in mice in which the gene for the trkB neurotrophin receptor was knocked out selectively in a subset of spinal motoneurons. The extent of contacts by structures immunoreactive for either of two different vesicular glutamate transporters (VGLUT1 and VGLUT2), the vesicular GABA transporter, or glutamic acid decarboxylase 67 (GAD67) with the somata of motoneurons, was studied in wild type and trkB knockout cells in tamoxifen treated male and female SLICK-trkB−/− mice. Selective knockout of the trkB gene resulted in a marked reduction in contacts made by VGLUT2- and GAD67-immunoreactive structures in both sexes and a significant reduction in contacts containing only glycine in male mice. No reduction was found for glycinergic contacts in female mice or for VGLUT1 immunoreactive contacts in either sex. Signaling through postsynaptic trkB receptors is considered to be an essential part of a cellular mechanism for maintaining the contacts of some, but not all, synaptic contacts onto motoneurons. PMID:27433358

Contact Trees: Network Visualization beyond Nodes and Edges

PubMed Central

Sallaberry, Arnaud; Fu, Yang-chih; Ho, Hwai-Chung; Ma, Kwan-Liu

2016-01-01

Node-Link diagrams make it possible to take a quick glance at how nodes (or actors) in a network are connected by edges (or ties). A conventional network diagram of a “contact tree” maps out a root and branches that represent the structure of nodes and edges, often without further specifying leaves or fruits that would have grown from small branches. By furnishing such a network structure with leaves and fruits, we reveal details about “contacts” in our ContactTrees upon which ties and relationships are constructed. Our elegant design employs a bottom-up approach that resembles a recent attempt to understand subjective well-being by means of a series of emotions. Such a bottom-up approach to social-network studies decomposes each tie into a series of interactions or contacts, which can help deepen our understanding of the complexity embedded in a network structure. Unlike previous network visualizations, ContactTrees highlight how relationships form and change based upon interactions among actors, as well as how relationships and networks vary by contact attributes. Based on a botanical tree metaphor, the design is easy to construct and the resulting tree-like visualization can display many properties at both tie and contact levels, thus recapturing a key ingredient missing from conventional techniques of network visualization. We demonstrate ContactTrees using data sets consisting of up to three waves of 3-month contact diaries over the 2004-2012 period, and discuss how this design can be applied to other types of datasets. PMID:26784350

On Ni/Au Alloyed Contacts to Mg-Doped GaN

NASA Astrophysics Data System (ADS)

Sarkar, Biplab; Reddy, Pramod; Klump, Andrew; Kaess, Felix; Rounds, Robert; Kirste, Ronny; Mita, Seiji; Kohn, Erhard; Collazo, Ramon; Sitar, Zlatko

2018-01-01

Ni/Au contacts to p-GaN were studied as a function of free hole concentration in GaN using planar transmission line measurement structures. All contacts showed a nonlinear behavior, which became stronger for lower doping concentrations. Electrical and structural analysis indicated that the current conduction between the contact and the p-GaN was through localized nano-sized clusters. Thus, the non-linear contact behavior can be well explained using the alloyed contact model. Two contributions to the contact resistance were identified: the spreading resistance in the semiconductor developed by the current crowding around the electrically active clusters, and diode-type behavior at the interface of the electrically active clusters with the semiconductor. Hence, the equivalent Ni/Au contact model consists of a diode and a resistor in series for each active cluster. The reduced barrier height observed in the measurements is thought to be generated by the extraction of Ga from the crystalline surface and localized formation of the Au:Ga phase. The alloyed contact analyses presented in this work are in good agreement with some of the commonly observed behavior of similar contacts described in the literature.

A robust color image watermarking algorithm against rotation attacks

NASA Astrophysics Data System (ADS)

Han, Shao-cheng; Yang, Jin-feng; Wang, Rui; Jia, Gui-min

2018-01-01

A robust digital watermarking algorithm is proposed based on quaternion wavelet transform (QWT) and discrete cosine transform (DCT) for copyright protection of color images. The luminance component Y of a host color image in YIQ space is decomposed by QWT, and then the coefficients of four low-frequency subbands are transformed by DCT. An original binary watermark scrambled by Arnold map and iterated sine chaotic system is embedded into the mid-frequency DCT coefficients of the subbands. In order to improve the performance of the proposed algorithm against rotation attacks, a rotation detection scheme is implemented before watermark extracting. The experimental results demonstrate that the proposed watermarking scheme shows strong robustness not only against common image processing attacks but also against arbitrary rotation attacks.

Performance evaluation of the inverse dynamics method for optimal spacecraft reorientation

NASA Astrophysics Data System (ADS)

Ventura, Jacopo; Romano, Marcello; Walter, Ulrich

2015-05-01

This paper investigates the application of the inverse dynamics in the virtual domain method to Euler angles, quaternions, and modified Rodrigues parameters for rapid optimal attitude trajectory generation for spacecraft reorientation maneuvers. The impact of the virtual domain and attitude representation is numerically investigated for both minimum time and minimum energy problems. Owing to the nature of the inverse dynamics method, it yields sub-optimal solutions for minimum time problems. Furthermore, the virtual domain improves the optimality of the solution, but at the cost of more computational time. The attitude representation also affects solution quality and computational speed. For minimum energy problems, the optimal solution can be obtained without the virtual domain with any considered attitude representation.

Analysis of deep learning methods for blind protein contact prediction in CASP12.

PubMed

Wang, Sheng; Sun, Siqi; Xu, Jinbo

2018-03-01

Here we present the results of protein contact prediction achieved in CASP12 by our RaptorX-Contact server, which is an early implementation of our deep learning method for contact prediction. On a set of 38 free-modeling target domains with a median family size of around 58 effective sequences, our server obtained an average top L/5 long- and medium-range contact accuracy of 47% and 44%, respectively (L = length). A complete implementation has an average accuracy of 59% and 57%, respectively. Our deep learning method formulates contact prediction as a pixel-level image labeling problem and simultaneously predicts all residue pairs of a protein using a combination of two deep residual neural networks, taking as input the residue conservation information, predicted secondary structure and solvent accessibility, contact potential, and coevolution information. Our approach differs from existing methods mainly in (1) formulating contact prediction as a pixel-level image labeling problem instead of an image-level classification problem; (2) simultaneously predicting all contacts of an individual protein to make effective use of contact occurrence patterns; and (3) integrating both one-dimensional and two-dimensional deep convolutional neural networks to effectively learn complex sequence-structure relationship including high-order residue correlation. This paper discusses the RaptorX-Contact pipeline, both contact prediction and contact-based folding results, and finally the strength and weakness of our method. © 2017 Wiley Periodicals, Inc.

Spatiotemporal Patterns of Contact Across the Rat Vibrissal Array During Exploratory Behavior

PubMed Central

Hobbs, Jennifer A.; Towal, R. Blythe; Hartmann, Mitra J. Z.

2016-01-01

The rat vibrissal system is an important model for the study of somatosensation, but the small size and rapid speed of the vibrissae have precluded measuring precise vibrissal-object contact sequences during behavior. We used a laser light sheet to quantify, with 1 ms resolution, the spatiotemporal structure of whisker-surface contact as five naïve rats freely explored a flat, vertical glass wall. Consistent with previous work, we show that the whisk cycle cannot be uniquely defined because different whiskers often move asynchronously, but that quasi-periodic (~8 Hz) variations in head velocity represent a distinct temporal feature on which to lock analysis. Around times of minimum head velocity, whiskers protract to make contact with the surface, and then sustain contact with the surface for extended durations (~25–60 ms) before detaching. This behavior results in discrete temporal windows in which large numbers of whiskers are in contact with the surface. These “sustained collective contact intervals” (SCCIs) were observed on 100% of whisks for all five rats. The overall spatiotemporal structure of the SCCIs can be qualitatively predicted based on information about head pose and the average whisk cycle. In contrast, precise sequences of whisker-surface contact depend on detailed head and whisker kinematics. Sequences of vibrissal contact were highly variable, equally likely to propagate in all directions across the array. Somewhat more structure was found when sequences of contacts were examined on a row-wise basis. In striking contrast to the high variability associated with contact sequences, a consistent feature of each SCCI was that the contact locations of the whiskers on the glass converged and moved more slowly on the sheet. Together, these findings lead us to propose that the rat uses a strategy of “windowed sampling” to extract an object's spatial features: specifically, the rat spatially integrates quasi-static mechanical signals across whiskers during the period of sustained contact, resembling an “enclosing” haptic procedure. PMID:26778990

Wetting, meniscus structure, and capillary interactions of microspheres bound to a cylindrical liquid interface.

PubMed

Kim, Paul Y; Dinsmore, Anthony D; Hoagland, David A; Russell, Thomas P

2018-03-14

Wetting, meniscus structure, and capillary interactions for polystyrene microspheres deposited on constant curvature cylindrical liquid interfaces, constructed from nonvolatile ionic or oligomeric liquids, were studied by optical interferometry and optical microscopy. The liquid interface curvature resulted from the preferential wetting of finite width lines patterned onto planar silicon substrates. Key variables included sphere diameter, nominal (or average) contact angle, and deviatoric interfacial curvature. Menisci adopted the quadrupolar symmetry anticipated by theory, with interfacial deformation closely following predicted dependences on sphere diameter and nominal contact angle. Unexpectedly, the contact angle was not constant locally around the contact line, the nominal contact angle varied among seemingly identical spheres, and the maximum interface deviation did not follow the predicted dependence on deviatoric interfacial curvature. Instead, this deviation was up to an order-of-magnitude larger than predicted. Trajectories of neighboring microspheres visually manifested quadrupole-quadrupole interactions, eventually producing square sphere packings that foreshadow interfacial assembly as a potential route to hierarchical 2D particle structures.

Epidemic Wave Dynamics Attributable to Urban Community Structure: A Theoretical Characterization of Disease Transmission in a Large Network

PubMed Central

Eggo, Rosalind M; Lenczner, Michael

2015-01-01

Background Multiple waves of transmission during infectious disease epidemics represent a major public health challenge, but the ecological and behavioral drivers of epidemic resurgence are poorly understood. In theory, community structure—aggregation into highly intraconnected and loosely interconnected social groups—within human populations may lead to punctuated outbreaks as diseases progress from one community to the next. However, this explanation has been largely overlooked in favor of temporal shifts in environmental conditions and human behavior and because of the difficulties associated with estimating large-scale contact patterns. Objective The aim was to characterize naturally arising patterns of human contact that are capable of producing simulated epidemics with multiple wave structures. Methods We used an extensive dataset of proximal physical contacts between users of a public Wi-Fi Internet system to evaluate the epidemiological implications of an empirical urban contact network. We characterized the modularity (community structure) of the network and then estimated epidemic dynamics under a percolation-based model of infectious disease spread on the network. We classified simulated epidemics as multiwave using a novel metric and we identified network structures that were critical to the network’s ability to produce multiwave epidemics. Results We identified robust community structure in a large, empirical urban contact network from which multiwave epidemics may emerge naturally. This pattern was fueled by a special kind of insularity in which locally popular individuals were not the ones forging contacts with more distant social groups. Conclusions Our results suggest that ordinary contact patterns can produce multiwave epidemics at the scale of a single urban area without the temporal shifts that are usually assumed to be responsible. Understanding the role of community structure in epidemic dynamics allows officials to anticipate epidemic resurgence without having to forecast future changes in hosts, pathogens, or the environment. PMID:26156032

Tunnel-injected sub-260 nm ultraviolet light emitting diodes

NASA Astrophysics Data System (ADS)

Zhang, Yuewei; Krishnamoorthy, Sriram; Akyol, Fatih; Bajaj, Sanyam; Allerman, Andrew A.; Moseley, Michael W.; Armstrong, Andrew M.; Rajan, Siddharth

2017-05-01

We report on tunnel-injected deep ultraviolet light emitting diodes (UV LEDs) configured with a polarization engineered Al0.75Ga0.25 N/In0.2Ga0.8 N tunnel junction structure. Tunnel-injected UV LED structure enables n-type contacts for both bottom and top contact layers. However, achieving Ohmic contact to wide bandgap n-AlGaN layers is challenging and typically requires high temperature contact metal annealing. In this work, we adopted a compositionally graded top contact layer for non-alloyed metal contact and obtained a low contact resistance of ρc = 4.8 × 10-5 Ω cm2 on n-Al0.75Ga0.25 N. We also observed a significant reduction in the forward operation voltage from 30.9 V to 19.2 V at 1 kA/cm2 by increasing the Mg doping concentration from 6.2 × 1018 cm-3 to 1.5 × 1019 cm-3. Non-equilibrium hole injection into wide bandgap Al0.75Ga0.25 N with Eg>5.2 eV was confirmed by light emission at 257 nm. This work demonstrates the feasibility of tunneling hole injection into deep UV LEDs and provides a structural design towards high power deep-UV emitters.

Contact fatigue of human enamel: Experiments, mechanisms and modeling.

PubMed

Gao, S S; An, B B; Yahyazadehfar, M; Zhang, D; Arola, D D

2016-07-01

Cyclic contact between natural tooth structure and engineered ceramics is increasingly common. Fatigue of the enamel due to cyclic contact is rarely considered. The objectives of this investigation were to evaluate the fatigue behavior of human enamel by cyclic contact, and to assess the extent of damage over clinically relevant conditions. Cyclic contact experiments were conducted using the crowns of caries-free molars obtained from young donors. The cuspal locations were polished flat and subjected to cyclic contact with a spherical indenter of alumina at 2Hz. The progression of damage was monitored through the evolution in contact displacement, changes in the contact hysteresis and characteristics of the fracture pattern. The contact fatigue life diagram exhibited a decrease in cycles to failure with increasing cyclic load magnitude. Two distinct trends were identified, which corresponded to the development and propagation of a combination of cylindrical and radial cracks. Under contact loads of less than 400N, enamel rod decussation resisted the growth of subsurface cracks. However, at greater loads the damage progressed rapidly and accelerated fatigue failure. Overall, cyclic contact between ceramic appliances and natural tooth structure causes fatigue of the enamel. The extent of damage is dependent on the magnitude of cyclic stress and the ability of the decussation to arrest the fatigue damage. Copyright © 2016 Elsevier Ltd. All rights reserved.

Contact force and mechanical loss of multistage cable under tension and bending

NASA Astrophysics Data System (ADS)

Ru, Yanyun; Yong, Huadong; Zhou, Youhe

2016-10-01

A theoretical model for calculating the stress and strain states of cabling structures with different loadings has been developed in this paper. We solve the problem for the first- and second-stage cable with tensile or bending strain. The contact and friction forces between the strands are presented by two-dimensional contact model. Several theoretical models have been proposed to verify the results when the triplet subjected to the tensile strain, including contact force, contact stresses, and mechanical loss. It is found that loadings will affect the friction force and the mechanical loss of the triplet. The results show that the contact force and mechanical loss are dependent on the twist pitch. A shorter twist pitch can lead to higher contact force, while the trend of mechanical loss with twist pitch is complicated. The mechanical loss may be reduced by adjusting the twist pitch reasonably. The present model provides a simple analysis method to investigate the mechanical behaviors in multistage-structures under different loads.

Nanoscale electro-structural characterisation of ohmic contacts formed on p-type implanted 4H-SiC

NASA Astrophysics Data System (ADS)

Frazzetto, Alessia; Giannazzo, Filippo; Lo Nigro, Raffaella; di Franco, Salvatore; Bongiorno, Corrado; Saggio, Mario; Zanetti, Edoardo; Raineri, Vito; Roccaforte, Fabrizio

2011-12-01

This work reports a nanoscale electro-structural characterisation of Ti/Al ohmic contacts formed on p-type Al-implanted silicon carbide (4H-SiC). The morphological and the electrical properties of the Al-implanted layer, annealed at 1700°C with or without a protective capping layer, and of the ohmic contacts were studied using atomic force microscopy [AFM], transmission line model measurements and local current measurements performed with conductive AFM. The characteristics of the contacts were significantly affected by the roughness of the underlying SiC. In particular, the surface roughness of the Al-implanted SiC regions annealed at 1700°C could be strongly reduced using a protective carbon capping layer during annealing. This latter resulted in an improved surface morphology and specific contact resistance of the Ti/Al ohmic contacts formed on these regions. The microstructure of the contacts was monitored by X-ray diffraction analysis and a cross-sectional transmission electron microscopy, and correlated with the electrical results.

Evolutionarily conserved regions and hydrophobic contacts at the superfamily level: The case of the fold-type I, pyridoxal-5′-phosphate-dependent enzymes

PubMed Central

Paiardini, Alessandro; Bossa, Francesco; Pascarella, Stefano

2004-01-01

The wealth of biological information provided by structural and genomic projects opens new prospects of understanding life and evolution at the molecular level. In this work, it is shown how computational approaches can be exploited to pinpoint protein structural features that remain invariant upon long evolutionary periods in the fold-type I, PLP-dependent enzymes. A nonredundant set of 23 superposed crystallographic structures belonging to this superfamily was built. Members of this family typically display high-structural conservation despite low-sequence identity. For each structure, a multiple-sequence alignment of orthologous sequences was obtained, and the 23 alignments were merged using the structural information to obtain a comprehensive multiple alignment of 921 sequences of fold-type I enzymes. The structurally conserved regions (SCRs), the evolutionarily conserved residues, and the conserved hydrophobic contacts (CHCs) were extracted from this data set, using both sequence and structural information. The results of this study identified a structural pattern of hydrophobic contacts shared by all of the superfamily members of fold-type I enzymes and involved in native interactions. This profile highlights the presence of a nucleus for this fold, in which residues participating in the most conserved native interactions exhibit preferential evolutionary conservation, that correlates significantly (r = 0.70) with the extent of mean hydrophobic contact value of their apolar fraction. PMID:15498941

Contact Disturbances, Self-Esteem and Life Satisfaction of University Students: A Structural Equation Modelling Study

ERIC Educational Resources Information Center

Tagay, Özlem

2015-01-01

Problem Statement: A literature analysis revealed that contact disturbances, self-esteem and life satisfaction have been examined in different studies separately. In particular, the researchers observed that the studies conducted on Gestalt contact disturbances are limited in number. In this study, the variables of contact disturbances,…

Dynamics and control of diseases in networks with community structure.

PubMed

Salathé, Marcel; Jones, James H

2010-04-08

The dynamics of infectious diseases spread via direct person-to-person transmission (such as influenza, smallpox, HIV/AIDS, etc.) depends on the underlying host contact network. Human contact networks exhibit strong community structure. Understanding how such community structure affects epidemics may provide insights for preventing the spread of disease between communities by changing the structure of the contact network through pharmaceutical or non-pharmaceutical interventions. We use empirical and simulated networks to investigate the spread of disease in networks with community structure. We find that community structure has a major impact on disease dynamics, and we show that in networks with strong community structure, immunization interventions targeted at individuals bridging communities are more effective than those simply targeting highly connected individuals. Because the structure of relevant contact networks is generally not known, and vaccine supply is often limited, there is great need for efficient vaccination algorithms that do not require full knowledge of the network. We developed an algorithm that acts only on locally available network information and is able to quickly identify targets for successful immunization intervention. The algorithm generally outperforms existing algorithms when vaccine supply is limited, particularly in networks with strong community structure. Understanding the spread of infectious diseases and designing optimal control strategies is a major goal of public health. Social networks show marked patterns of community structure, and our results, based on empirical and simulated data, demonstrate that community structure strongly affects disease dynamics. These results have implications for the design of control strategies.

Automatic Classification of Protein Structure Using the Maximum Contact Map Overlap Metric

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

Andonov, Rumen; Djidjev, Hristo Nikolov; Klau, Gunnar W.

In this paper, we propose a new distance measure for comparing two protein structures based on their contact map representations. We show that our novel measure, which we refer to as the maximum contact map overlap (max-CMO) metric, satisfies all properties of a metric on the space of protein representations. Having a metric in that space allows one to avoid pairwise comparisons on the entire database and, thus, to significantly accelerate exploring the protein space compared to no-metric spaces. We show on a gold standard superfamily classification benchmark set of 6759 proteins that our exact k-nearest neighbor (k-NN) scheme classifiesmore » up to 224 out of 236 queries correctly and on a larger, extended version of the benchmark with 60; 850 additional structures, up to 1361 out of 1369 queries. Finally, our k-NN classification thus provides a promising approach for the automatic classification of protein structures based on flexible contact map overlap alignments.« less

Structure of a bacterial type III secretion system in contact with a host membrane in situ

NASA Astrophysics Data System (ADS)

Nans, Andrea; Kudryashev, Mikhail; Saibil, Helen R.; Hayward, Richard D.

2015-12-01

Many bacterial pathogens of animals and plants use a conserved type III secretion system (T3SS) to inject virulence effector proteins directly into eukaryotic cells to subvert host functions. Contact with host membranes is critical for T3SS activation, yet little is known about T3SS architecture in this state or the conformational changes that drive effector translocation. Here we use cryo-electron tomography and sub-tomogram averaging to derive the intact structure of the primordial Chlamydia trachomatis T3SS in the presence and absence of host membrane contact. Comparison of the averaged structures demonstrates a marked compaction of the basal body (4 nm) occurs when the needle tip contacts the host cell membrane. This compaction is coupled to a stabilization of the cytosolic sorting platform-ATPase. Our findings reveal the first structure of a bacterial T3SS from a major human pathogen engaged with a eukaryotic host, and reveal striking `pump-action' conformational changes that underpin effector injection.

Structure of a bacterial type III secretion system in contact with a host membrane in situ.

PubMed

Nans, Andrea; Kudryashev, Mikhail; Saibil, Helen R; Hayward, Richard D

2015-12-11

Many bacterial pathogens of animals and plants use a conserved type III secretion system (T3SS) to inject virulence effector proteins directly into eukaryotic cells to subvert host functions. Contact with host membranes is critical for T3SS activation, yet little is known about T3SS architecture in this state or the conformational changes that drive effector translocation. Here we use cryo-electron tomography and sub-tomogram averaging to derive the intact structure of the primordial Chlamydia trachomatis T3SS in the presence and absence of host membrane contact. Comparison of the averaged structures demonstrates a marked compaction of the basal body (4 nm) occurs when the needle tip contacts the host cell membrane. This compaction is coupled to a stabilization of the cytosolic sorting platform-ATPase. Our findings reveal the first structure of a bacterial T3SS from a major human pathogen engaged with a eukaryotic host, and reveal striking 'pump-action' conformational changes that underpin effector injection.

Automatic Classification of Protein Structure Using the Maximum Contact Map Overlap Metric

DOE PAGES

Andonov, Rumen; Djidjev, Hristo Nikolov; Klau, Gunnar W.; ...

2015-10-09

In this paper, we propose a new distance measure for comparing two protein structures based on their contact map representations. We show that our novel measure, which we refer to as the maximum contact map overlap (max-CMO) metric, satisfies all properties of a metric on the space of protein representations. Having a metric in that space allows one to avoid pairwise comparisons on the entire database and, thus, to significantly accelerate exploring the protein space compared to no-metric spaces. We show on a gold standard superfamily classification benchmark set of 6759 proteins that our exact k-nearest neighbor (k-NN) scheme classifiesmore » up to 224 out of 236 queries correctly and on a larger, extended version of the benchmark with 60; 850 additional structures, up to 1361 out of 1369 queries. Finally, our k-NN classification thus provides a promising approach for the automatic classification of protein structures based on flexible contact map overlap alignments.« less

Structure and kinematics of a major tectonic contact, Michipicoten greenstone belt, Ontario

NASA Technical Reports Server (NTRS)

Mcgill, George E.

1992-01-01

The Michipicoten greenstone belt, Ontario, experienced a complex history of folding, faulting, and fabric development. Near Wawa, a major east-west contact, here named the Steep Hill Falls (SHF) contact, extends entirely across the belt. The SHF contact is both an angular unconformity and a fault and is interpreted to be a regionally significant tectonic contact separating distinct northern and southern terranes, both of which include volcanic rocks of probable island-arc origin. The amount of horizontal transport involved in bringing the two terranes together along the SHF contact is not known. Mapping and structural analysis suggest that regionally significant horizontal displacements took place, with movement vectors that changed with time. Early faults, folds, and fabrics imply north-south to northeast-southwest (with respect to present directions) convergence, with a vergence reversal occurring during this complex event. The most likely models infer early south vergence and later north vergence. Transecting the earliest structures are younger (but still Archean) northeast-striking steep cleavages with associated upright folds that may relate to northwest-southeast assembly of the Superior Province craton. The craton assembly event thus involved a transport direction at a high angle to that inferred for the earlier assembly of the Michipicoten greenstone belt.

Crystal Structure of Chicken γS-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the βγ-Crystallins.

PubMed

Sagar, Vatsala; Chaturvedi, Sumit K; Schuck, Peter; Wistow, Graeme

2017-07-05

Previous attempts to crystallize mammalian γS-crystallin were unsuccessful. Native L16 chicken γS crystallized avidly while the Q16 mutant did not. The X-ray structure for chicken γS at 2.3 Å resolution shows the canonical structure of the superfamily plus a well-ordered N arm aligned with a β sheet of a neighboring N domain. L16 is also in a lattice contact, partially shielded from solvent. Unexpectedly, the major lattice contact matches a conserved interface (QR) in the multimeric β-crystallins. QR shows little conservation of residue contacts, except for one between symmetry-related tyrosines, but molecular dipoles for the proteins with QR show striking similarities while other γ-crystallins differ. In γS, QR has few hydrophobic contacts and features a thin layer of tightly bound water. The free energy of QR is slightly repulsive and analytical ultracentrifugation confirms no dimerization in solution. The lattice contacts suggest how γ-crystallins allow close packing without aggregation in the crowded environment of the lens. Published by Elsevier Ltd.

Amyloid β (1-40) Toxicity Depends on the Molecular Contact between Phenylalanine 19 and Leucine 34.

PubMed

Korn, Alexander; McLennan, Steffane; Adler, Juliane; Krueger, Martin; Surendran, Dayana; Maiti, Sudipta; Huster, Daniel

2018-04-18

The formation of the hydrophobic contact between phenylalanine 19 (F19) and leucine 34 (L34) of amyloid β (1-40) (Aβ(1-40)) is known to be an important step in the fibrillation of Aβ(1-40) peptides. Mutations of this putatively early molecular contact were shown to strongly influence the toxicity of Aβ(1-40) ( Das et al. ( 2015 ) ACS Chem. Neurosci. 6 , 1290 - 1295 ). Any mutation of residue F19 completely abolished the toxicity of Aβ(1-40), suggesting that a proper F19-L34 contact is crucial also for the formation of transient oligomers. In this work, we investigate a series of isomeric substitutions of L34, namely, d-leucine, isoleucine, and valine, to study further details of this molecular contact. These replacements represent very minor alterations in the Aβ(1-40) structure posing the question how these alterations challenge the fibrillation kinetics, structure, dynamics, and toxicity of the Aβ(1-40) aggregates. Our work involves kinetic studies using thioflavin T, transmission electron microscopy, X-ray diffraction for the analysis of the fibril morphology, and nuclear magnetic resonance experiments for local structure and molecular dynamics investigations. Combined with cell toxicity assays of the mutated Aβ(1-40) peptides, the physicochemical and biological importance of the early folding contact between F19 and L34 in Aβ(1-40) is underlined. This implies that the F19-L34 contact influences a broad range of different processes including the initiation of fibrillation, oligomer stability, fibril elongation, local fibril structure, and dynamics and cellular toxicity. These processes do not only cover a broad range of diverse mechanisms, but also proved to be highly sensitive to minor modulations of this crucial contact. Furthermore, our work shows that the contact is not simply mediated by general hydrophobic interactions, but also depends on stereospecific mechanisms.

RRCRank: a fusion method using rank strategy for residue-residue contact prediction.

PubMed

Jing, Xiaoyang; Dong, Qiwen; Lu, Ruqian

2017-09-02

In structural biology area, protein residue-residue contacts play a crucial role in protein structure prediction. Some researchers have found that the predicted residue-residue contacts could effectively constrain the conformational search space, which is significant for de novo protein structure prediction. In the last few decades, related researchers have developed various methods to predict residue-residue contacts, especially, significant performance has been achieved by using fusion methods in recent years. In this work, a novel fusion method based on rank strategy has been proposed to predict contacts. Unlike the traditional regression or classification strategies, the contact prediction task is regarded as a ranking task. First, two kinds of features are extracted from correlated mutations methods and ensemble machine-learning classifiers, and then the proposed method uses the learning-to-rank algorithm to predict contact probability of each residue pair. First, we perform two benchmark tests for the proposed fusion method (RRCRank) on CASP11 dataset and CASP12 dataset respectively. The test results show that the RRCRank method outperforms other well-developed methods, especially for medium and short range contacts. Second, in order to verify the superiority of ranking strategy, we predict contacts by using the traditional regression and classification strategies based on the same features as ranking strategy. Compared with these two traditional strategies, the proposed ranking strategy shows better performance for three contact types, in particular for long range contacts. Third, the proposed RRCRank has been compared with several state-of-the-art methods in CASP11 and CASP12. The results show that the RRCRank could achieve comparable prediction precisions and is better than three methods in most assessment metrics. The learning-to-rank algorithm is introduced to develop a novel rank-based method for the residue-residue contact prediction of proteins, which achieves state-of-the-art performance based on the extensive assessment.

Emergence of the interplay between hierarchy and contact splitting in biological adhesion highlighted through a hierarchical shear lag model.

PubMed

Brely, Lucas; Bosia, Federico; Pugno, Nicola M

2018-06-20

Contact unit size reduction is a widely studied mechanism as a means to improve adhesion in natural fibrillar systems, such as those observed in beetles or geckos. However, these animals also display complex structural features in the way the contact is subdivided in a hierarchical manner. Here, we study the influence of hierarchical fibrillar architectures on the load distribution over the contact elements of the adhesive system, and the corresponding delamination behaviour. We present an analytical model to derive the load distribution in a fibrillar system loaded in shear, including hierarchical splitting of contacts, i.e. a "hierarchical shear-lag" model that generalizes the well-known shear-lag model used in mechanics. The influence on the detachment process is investigated introducing a numerical procedure that allows the derivation of the maximum delamination force as a function of the considered geometry, including statistical variability of local adhesive energy. Our study suggests that contact splitting generates improved adhesion only in the ideal case of extremely compliant contacts. In real cases, to produce efficient adhesive performance, contact splitting needs to be coupled with hierarchical architectures to counterbalance high load concentrations resulting from contact unit size reduction, generating multiple delamination fronts and helping to avoid detrimental non-uniform load distributions. We show that these results can be summarized in a generalized adhesion scaling scheme for hierarchical structures, proving the beneficial effect of multiple hierarchical levels. The model can thus be used to predict the adhesive performance of hierarchical adhesive structures, as well as the mechanical behaviour of composite materials with hierarchical reinforcements.

Using linear algebra for protein structural comparison and classification

PubMed Central

2009-01-01

In this article, we describe a novel methodology to extract semantic characteristics from protein structures using linear algebra in order to compose structural signature vectors which may be used efficiently to compare and classify protein structures into fold families. These signatures are built from the pattern of hydrophobic intrachain interactions using Singular Value Decomposition (SVD) and Latent Semantic Indexing (LSI) techniques. Considering proteins as documents and contacts as terms, we have built a retrieval system which is able to find conserved contacts in samples of myoglobin fold family and to retrieve these proteins among proteins of varied folds with precision of up to 80%. The classifier is a web tool available at our laboratory website. Users can search for similar chains from a specific PDB, view and compare their contact maps and browse their structures using a JMol plug-in. PMID:21637532

Using linear algebra for protein structural comparison and classification.

PubMed

Gomide, Janaína; Melo-Minardi, Raquel; Dos Santos, Marcos Augusto; Neshich, Goran; Meira, Wagner; Lopes, Júlio César; Santoro, Marcelo

2009-07-01

In this article, we describe a novel methodology to extract semantic characteristics from protein structures using linear algebra in order to compose structural signature vectors which may be used efficiently to compare and classify protein structures into fold families. These signatures are built from the pattern of hydrophobic intrachain interactions using Singular Value Decomposition (SVD) and Latent Semantic Indexing (LSI) techniques. Considering proteins as documents and contacts as terms, we have built a retrieval system which is able to find conserved contacts in samples of myoglobin fold family and to retrieve these proteins among proteins of varied folds with precision of up to 80%. The classifier is a web tool available at our laboratory website. Users can search for similar chains from a specific PDB, view and compare their contact maps and browse their structures using a JMol plug-in.

Effect of reflective p-type ohmic contact on thermal reliability of vertical InGaN/GaN LEDs

NASA Astrophysics Data System (ADS)

Son, Jun Ho; Song, Yang Hee; Kim, Buem Joon; Lee, Jong-Lam

2014-11-01

We report on the enhanced thermal reliability of vertical-LEDs (VLEDs) using novel reflective p-type ohmic contacts with good thermal stability. The reflective p-type ohmic contacts with Ni/Ag-Cu alloy multi-layer structure shows low contact resistivity, as low as 9.3 × 10-6 Ωcm2, and high reflectance of 86% after annealing at 450°C. The V-LEDs with Ni/Ag-Cu alloy multi-layer structure show good thermal reliability with stress time at 300°C in air ambient. The improved thermal stability of the reflective ohmic contacts to p-type GaN is believed to play a critical role in the thermal reliability of V-LEDs. [Figure not available: see fulltext.

Identification of residue pairing in interacting β-strands from a predicted residue contact map.

PubMed

Mao, Wenzhi; Wang, Tong; Zhang, Wenxuan; Gong, Haipeng

2018-04-19

Despite the rapid progress of protein residue contact prediction, predicted residue contact maps frequently contain many errors. However, information of residue pairing in β strands could be extracted from a noisy contact map, due to the presence of characteristic contact patterns in β-β interactions. This information may benefit the tertiary structure prediction of mainly β proteins. In this work, we propose a novel ridge-detection-based β-β contact predictor to identify residue pairing in β strands from any predicted residue contact map. Our algorithm RDb 2 C adopts ridge detection, a well-developed technique in computer image processing, to capture consecutive residue contacts, and then utilizes a novel multi-stage random forest framework to integrate the ridge information and additional features for prediction. Starting from the predicted contact map of CCMpred, RDb 2 C remarkably outperforms all state-of-the-art methods on two conventional test sets of β proteins (BetaSheet916 and BetaSheet1452), and achieves F1-scores of ~ 62% and ~ 76% at the residue level and strand level, respectively. Taking the prediction of the more advanced RaptorX-Contact as input, RDb 2 C achieves impressively higher performance, with F1-scores reaching ~ 76% and ~ 86% at the residue level and strand level, respectively. In a test of structural modeling using the top 1 L predicted contacts as constraints, for 61 mainly β proteins, the average TM-score achieves 0.442 when using the raw RaptorX-Contact prediction, but increases to 0.506 when using the improved prediction by RDb 2 C. Our method can significantly improve the prediction of β-β contacts from any predicted residue contact maps. Prediction results of our algorithm could be directly applied to effectively facilitate the practical structure prediction of mainly β proteins. All source data and codes are available at http://166.111.152.91/Downloads.html or the GitHub address of https://github.com/wzmao/RDb2C .

Analysis and Visualization of Nerve Vessel Contacts for Neurovascular Decompression

NASA Astrophysics Data System (ADS)

Süßmuth, Jochen; Piazza, Alexander; Enders, Frank; Naraghi, Ramin; Greiner, Günther; Hastreiter, Peter

Neurovascular compression syndromes are caused by a pathological contact between cranial nerves and vascular structures at the surface of the brainstem. Aiming at improved pre-operative analysis of the target structures, we propose calculating distance fields to provide quantitative information of the important nerve-vessel contacts. Furthermore, we suggest reconstructing polygonal models for the nerves and vessels. Color-coding with the respective distance information is used for enhanced visualization. Overall, our new strategy contributes to a significantly improved clinical understanding.

Improved contact resistance stability in a MEMS separable electrical connector

NASA Astrophysics Data System (ADS)

Larsson, M. P.

2005-12-01

A MEMS in-line separable electrical connector with improved contact resistance stability to thermal fluctuations and mating cycles is described. The design allows sliding, in-line connection between separate halves, inducing vertical deflections on a set of flexible conductors to establish stable electrical contacts. Features are present on both halves to ensure precise lateral and vertical self-alignment; preventing shorts and maintaining consistent conductor deflections. Characterisation on early prototypes revealed significant variability in contact resistance with thermal fluctuations and mating cycle history. As flexible conductors are multi-layered structures of Au supported by a thick structural layer of Ni, they undergo differential thermal expansion, introducing variability in contact resistance with temperature. Sliding contact wear during repeated mating leads to removal of portions of the Au surface coating, and electrical contact between underlying (non-noble) Ni layers. By using a harder Co-Au alloy as the contact surface layer and modifying the arrangement of constituent conductor layers to balance thermal stresses, improvements to both wear and thermal tolerance of contact resistance can be obtained. Devices implementing the above design modifications show stable contact resistance over 100 mating cycles and an increase in contact resistance of between 3.5 and 7% over a temperature rise of 60°C. The electrical performance improvements increase the attractiveness of the MEMS in-line separable connector concept for applications in portable electronics and MEMS integration.

Dynamic characterization of contact interactions of micro-robotic leg structures

NASA Astrophysics Data System (ADS)

Ryou, Jeong Hoon; Oldham, Kenn Richard

2014-05-01

Contact dynamics of microelectromechanical systems (MEMS) are typically complicated and it is consequently difficult to model all dynamic characteristics observed in time-domain responses involving impact. This issue becomes worse when a device, such as a mobile micro-robot, is not clamped to a substrate and has a complex mechanical structure. To characterize such a contact interaction situation, two walking micro-robot prototypes are tested having intentionally simple structures with different dimensions (21.2 mm × 16.3 mm × 0.75 mm and 32 mm × 25.4 mm × 4.1 mm) and weights (0.16 and 2.7 g). Contact interaction behaviors are characterized by analyzing experimental data under various excitation signals. A numerical approach was used to derive a novel contact model consisting of a coefficient of restitution matrix that uses modal vibration information. Experimental validation of the simulation model shows that it captures various dynamic features of the contact interaction when simulating leg behavior more accurately than previous contact models, such as single-point coefficient of restitution or compliant ground models. In addition, this paper shows that small-scale forces can be added to the simulation to improve model accuracy, resulting in average errors across driving conditions on the order of 2-6% for bounce frequency, maximum foot height, and average foot height, although there is substantial variation from case to case.

Uncovering the true nature of deformation microstructures using 3D analysis methods

NASA Astrophysics Data System (ADS)

Ferry, M.; Quadir, M. Z.; Afrin, N.; Xu, W.; Loeb, A.; Soe, B.; McMahon, C.; George, C.; Bassman, L.

2015-08-01

Three-dimensional electron backscatter diffraction (3D EBSD) has emerged as a powerful technique for generating 3D crystallographic information in reasonably large volumes of a microstructure. The technique uses a focused ion beam (FIB) as a high precision serial sectioning device for generating consecutive ion milled surfaces of a material, with each milled surface subsequently mapped by EBSD. The successive EBSD maps are combined using a suitable post-processing method to generate a crystallographic volume of the microstructure. The first part of this paper shows the usefulness of 3D EBSD for understanding the origin of various structural features associated with the plastic deformation of metals. The second part describes a new method for automatically identifying the various types of low and high angle boundaries found in deformed and annealed metals, particularly those associated with grains exhibiting subtle and gradual variations in orientation. We have adapted a 2D image segmentation technique, fast multiscale clustering, to 3D EBSD data using a novel variance function to accommodate quaternion data. This adaptation is capable of segmenting based on subtle and gradual variation as well as on sharp boundaries within the data. We demonstrate the excellent capabilities of this technique with application to 3D EBSD data sets generated from a range of cold rolled and annealed metals described in the paper.

Informing disease models with temporal and spatial contact structure among GPS-collared individuals in wild populations.

PubMed

Williams, David M; Dechen Quinn, Amy C; Porter, William F

2014-01-01

Contacts between hosts are essential for transmission of many infectious agents. Understanding how contacts, and thus transmission rates, occur in space and time is critical to effectively responding to disease outbreaks in free-ranging animal populations. Contacts between animals in the wild are often difficult to observe or measure directly. Instead, one must infer contacts from metrics such as proximity in space and time. Our objective was to examine how contacts between white-tailed deer (Odocoileus virginianus) vary in space and among seasons. We used GPS movement data from 71 deer in central New York State to quantify potential direct contacts between deer and indirect overlap in space use across time and space. Daily probabilities of direct contact decreased from winter (0.05-0.14), to low levels post-parturition through summer (0.00-0.02), and increased during the rut to winter levels. The cumulative distribution for the spatial structure of direct and indirect contact probabilities around a hypothetical point of occurrence increased rapidly with distance for deer pairs separated by 1,000 m-7,000 m. Ninety-five percent of the probabilities of direct contact occurred among deer pairs within 8,500 m of one another, and 99% within 10,900 m. Probabilities of indirect contact accumulated across greater spatial extents: 95% at 11,900 m and 99% at 49,000 m. Contacts were spatially consistent across seasons, indicating that although contact rates differ seasonally, they occur proportionally across similar landscape extents. Distributions of contact probabilities across space can inform management decisions for assessing risk and allocating resources in response.

Carrier-transport mechanism of Er-silicide Schottky contacts to strained-silicon-on-insulator and silicon-on-insulator.

PubMed

Jyothi, I; Janardhanam, V; Kang, Min-Sung; Yun, Hyung-Joong; Lee, Jouhahn; Choi, Chel-Jong

2014-11-01

The current-voltage characteristics and the carrier-transport mechanism of the Er-silicide (ErSi1.7) Schottky contacts to strained-silicon-on-insulator (sSOI) and silicon-on-insulator (SOI) were investigated. Barrier heights of 0.74 eV and 0.82 eV were obtained for the sSOI and SOI structures, respectively. The barrier height of the sSOI structure was observed to be lower than that of the SoI structure despite the formation of a Schottky contact using the same metal silicide. The sSOI structure exhibited better rectification and higher current level than the SOI structure, which could be associated with a reduction in the band gap of Si caused by strain. The generation-recombination mechanism was found to be dominant in the forward bias for both structures. Carrier generation along with the Poole-Frenkel mechanism dominated the reverse-biased current in the SOI structure. The saturation tendency of the reverse leakage current in the sSOI structure could be attributed to strain-induced defects at the interface in non-lattice-matched structures.

Predicting residue-wise contact orders in proteins by support vector regression.

PubMed

Song, Jiangning; Burrage, Kevin

2006-10-03

The residue-wise contact order (RWCO) describes the sequence separations between the residues of interest and its contacting residues in a protein sequence. It is a new kind of one-dimensional protein structure that represents the extent of long-range contacts and is considered as a generalization of contact order. Together with secondary structure, accessible surface area, the B factor, and contact number, RWCO provides comprehensive and indispensable important information to reconstructing the protein three-dimensional structure from a set of one-dimensional structural properties. Accurately predicting RWCO values could have many important applications in protein three-dimensional structure prediction and protein folding rate prediction, and give deep insights into protein sequence-structure relationships. We developed a novel approach to predict residue-wise contact order values in proteins based on support vector regression (SVR), starting from primary amino acid sequences. We explored seven different sequence encoding schemes to examine their effects on the prediction performance, including local sequence in the form of PSI-BLAST profiles, local sequence plus amino acid composition, local sequence plus molecular weight, local sequence plus secondary structure predicted by PSIPRED, local sequence plus molecular weight and amino acid composition, local sequence plus molecular weight and predicted secondary structure, and local sequence plus molecular weight, amino acid composition and predicted secondary structure. When using local sequences with multiple sequence alignments in the form of PSI-BLAST profiles, we could predict the RWCO distribution with a Pearson correlation coefficient (CC) between the predicted and observed RWCO values of 0.55, and root mean square error (RMSE) of 0.82, based on a well-defined dataset with 680 protein sequences. Moreover, by incorporating global features such as molecular weight and amino acid composition we could further improve the prediction performance with the CC to 0.57 and an RMSE of 0.79. In addition, combining the predicted secondary structure by PSIPRED was found to significantly improve the prediction performance and could yield the best prediction accuracy with a CC of 0.60 and RMSE of 0.78, which provided at least comparable performance compared with the other existing methods. The SVR method shows a prediction performance competitive with or at least comparable to the previously developed linear regression-based methods for predicting RWCO values. In contrast to support vector classification (SVC), SVR is very good at estimating the raw value profiles of the samples. The successful application of the SVR approach in this study reinforces the fact that support vector regression is a powerful tool in extracting the protein sequence-structure relationship and in estimating the protein structural profiles from amino acid sequences.

VoroMQA: Assessment of protein structure quality using interatomic contact areas.

PubMed

Olechnovič, Kliment; Venclovas, Česlovas

2017-06-01

In the absence of experimentally determined protein structure many biological questions can be addressed using computational structural models. However, the utility of protein structural models depends on their quality. Therefore, the estimation of the quality of predicted structures is an important problem. One of the approaches to this problem is the use of knowledge-based statistical potentials. Such methods typically rely on the statistics of distances and angles of residue-residue or atom-atom interactions collected from experimentally determined structures. Here, we present VoroMQA (Voronoi tessellation-based Model Quality Assessment), a new method for the estimation of protein structure quality. Our method combines the idea of statistical potentials with the use of interatomic contact areas instead of distances. Contact areas, derived using Voronoi tessellation of protein structure, are used to describe and seamlessly integrate both explicit interactions between protein atoms and implicit interactions of protein atoms with solvent. VoroMQA produces scores at atomic, residue, and global levels, all in the fixed range from 0 to 1. The method was tested on the CASP data and compared to several other single-model quality assessment methods. VoroMQA showed strong performance in the recognition of the native structure and in the structural model selection tests, thus demonstrating the efficacy of interatomic contact areas in estimating protein structure quality. The software implementation of VoroMQA is freely available as a standalone application and as a web server at http://bioinformatics.lt/software/voromqa. Proteins 2017; 85:1131-1145. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Micro-Structural Study of Fretting Contact Caused by the Difference of the Tin Plating Thickness

NASA Astrophysics Data System (ADS)

Ito, Tetsuya; Sawada, Shigeru; Hattori, Yasuhiro; Saitoh, Yasushi; Tamai, Terutaka; Iida, Kazuo

In recent years, there has been increasing demand to miniaturize wiring harness connectors in automobiles due to the increasing volume of electronic equipment and the reduction of the installation space allocated for the electronic equipment in automobiles for the comfort of the passengers. With this demand, contact failure caused by the fretting corrosion is expected to become a serious problem. In this report, we examined micro-structural observations of fretting contacts of two different tin plating thicknesses using Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) and so on. Based on the results, we compared the microstructure difference of fretting contact caused by the difference of the tin plating thickness.

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Residue-residue contacts: application to analysis of secondary structure interactions.

PubMed

Potapov, Vladimir; Edelman, Marvin; Sobolev, Vladimir

2013-01-01

Protein structures and their complexes are formed and stabilized by interactions, both inside and outside of the protein. Analysis of such interactions helps in understanding different levels of structures (secondary, super-secondary, and oligomeric states). It can also assist molecular biologists in understanding structural consequences of modifying proteins and/or ligands. In this chapter, our definition of atom-atom and residue-residue contacts is described and applied to analysis of protein-protein interactions in dimeric β-sandwich proteins.

Dynamic Folding Pathway Models of the Trp-Cage Protein

PubMed Central

Kim, Seung-Yeon

2013-01-01

Using action-derived molecular dynamics (ADMD), we study the dynamic folding pathway models of the Trp-cage protein by providing its sequential conformational changes from its initial disordered structure to the final native structure at atomic details. We find that the numbers of native contacts and native hydrogen bonds are highly correlated, implying that the native structure of Trp-cage is achieved through the concurrent formations of native contacts and native hydrogen bonds. In early stage, an unfolded state appears with partially formed native contacts (~40%) and native hydrogen bonds (~30%). Afterward, the folding is initiated by the contact of the side chain of Tyr3 with that of Trp6, together with the formation of the N-terminal α-helix. Then, the C-terminal polyproline structure docks onto the Trp6 and Tyr3 rings, resulting in the formations of the hydrophobic core of Trp-cage and its near-native state. Finally, the slow adjustment processes of the near-native states into the native structure are dominant in later stage. The ADMD results are in agreement with those of the experimental folding studies on Trp-cage and consistent with most of other computational studies. PMID:23865078

A unified approach to the analysis and design of elasto-plastic structures with mechanical contact

NASA Technical Reports Server (NTRS)

Bendsoe, Martin P.; Olhoff, Niels; Taylor, John E.

1990-01-01

With structural design in mind, a new unified variational model has been developed which represents the mechanics of deformation elasto-plasticity with unilateral contact conditions. For a design problem formulated as maximization of the load carrying capacity of a structure under certain constraints, the unified model allows for a simultaneous analysis and design synthesis for a whole range of mechanical behavior.

Fabrication of hierarchical polymer surfaces with superhydrophobicity by injection molding from nature and function-oriented design

NASA Astrophysics Data System (ADS)

Weng, Can; Wang, Fei; Zhou, Mingyong; Yang, Dongjiao; Jiang, Bingyan

2018-04-01

A comparison of processes and wettability characteristics was presented for injection molded superhydrophobic polypropylene surfaces from two fabricating strategies. One is the biomimetic replication of patterns from indocalamus leaf in nature. The contact angle of water sitting on this PP surface was measured as 152 ± 2°, with comparable wetting behavior to natural indocalamus leaf surface. The other strategy is the fabrication of superhydrophobic structure by combining methods that produce structures at different length scales. Regarding both the machinability of mold inserts and function-oriented design, three micro-quadrangular arrays and one hierarchical micro-nano cylinder array were designed with the goal of superhydrophobicity. Particularly, a simple approach to the fabrication of hierarchical structures was proposed by combining the anodized plate and the punching plate. The function-oriented design targets as superhydrophobicity were all reached for the designed four structures. The measured contact angles of droplet for these structures were almost consistent with the calculated equilibrium contact angles from thermodynamic analysis. Among them, the contact angle of droplet on the surface of designed hierarchical structure reached about 163° with the sliding angle of 5°, resulting in self-cleaning characteristic. The superhydrophobicity of function-oriented designed polymer surfaces could be modified and controlled, which is exactly the limitation of replicating from natural organisms.

Geometrical effect, optimal design and controlled fabrication of bio-inspired micro/nanotextures for superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Ma, F. M.; Li, W.; Liu, A. H.; Yu, Z. L.; Ruan, M.; Feng, W.; Chen, H. X.; Chen, Y.

2017-09-01

Superhydrophobic surfaces with high water contact angles and low contact angle hysteresis or sliding angles have received tremendous attention for both academic research and industrial applications in recent years. In general, such surfaces possess rough microtextures, particularly, show micro/nano hierarchical structures like lotus leaves. Now it has been recognized that to achieve the artificial superhydrophobic surfaces, the simple and effective strategy is to mimic such hierarchical structures. However, fabrications of such structures for these artificial surfaces involve generally expensive and complex processes. On the other hand, the relationships between structural parameters of various surface topography and wetting properties have not been fully understood yet. In order to provide guidance for the simple fabrication and particularly, to promote practical applications of superhydrophobic surfaces, the geometrical designs of optimal microtextures or patterns have been proposed. In this work, the recent developments on geometrical effect, optimal design and controlled fabrication of various superhydrophobic structures, such as unitary, anisotropic, dual-scale hierarchical, and some other surface geometries, are reviewed. The effects of surface topography and structural parameters on wetting states (composite and noncomposite) and wetting properties (contact angle, contact angle hysteresis and sliding angle) as well as adhesive forces are discussed in detail. Finally, the research prospects in this field are briefly addressed.

Large-scale structure prediction by improved contact predictions and model quality assessment.

PubMed

Michel, Mirco; Menéndez Hurtado, David; Uziela, Karolis; Elofsson, Arne

2017-07-15

Accurate contact predictions can be used for predicting the structure of proteins. Until recently these methods were limited to very big protein families, decreasing their utility. However, recent progress by combining direct coupling analysis with machine learning methods has made it possible to predict accurate contact maps for smaller families. To what extent these predictions can be used to produce accurate models of the families is not known. We present the PconsFold2 pipeline that uses contact predictions from PconsC3, the CONFOLD folding algorithm and model quality estimations to predict the structure of a protein. We show that the model quality estimation significantly increases the number of models that reliably can be identified. Finally, we apply PconsFold2 to 6379 Pfam families of unknown structure and find that PconsFold2 can, with an estimated 90% specificity, predict the structure of up to 558 Pfam families of unknown structure. Out of these, 415 have not been reported before. Datasets as well as models of all the 558 Pfam families are available at http://c3.pcons.net/ . All programs used here are freely available. arne@bioinfo.se. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Infectious disease transmission and contact networks in wildlife and livestock.

PubMed

Craft, Meggan E

2015-05-26

The use of social and contact networks to answer basic and applied questions about infectious disease transmission in wildlife and livestock is receiving increased attention. Through social network analysis, we understand that wild animal and livestock populations, including farmed fish and poultry, often have a heterogeneous contact structure owing to social structure or trade networks. Network modelling is a flexible tool used to capture the heterogeneous contacts of a population in order to test hypotheses about the mechanisms of disease transmission, simulate and predict disease spread, and test disease control strategies. This review highlights how to use animal contact data, including social networks, for network modelling, and emphasizes that researchers should have a pathogen of interest in mind before collecting or using contact data. This paper describes the rising popularity of network approaches for understanding transmission dynamics in wild animal and livestock populations; discusses the common mismatch between contact networks as measured in animal behaviour and relevant parasites to match those networks; and highlights knowledge gaps in how to collect and analyse contact data. Opportunities for the future include increased attention to experiments, pathogen genetic markers and novel computational tools. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Infectious disease transmission and contact networks in wildlife and livestock

PubMed Central

Craft, Meggan E.

2015-01-01

The use of social and contact networks to answer basic and applied questions about infectious disease transmission in wildlife and livestock is receiving increased attention. Through social network analysis, we understand that wild animal and livestock populations, including farmed fish and poultry, often have a heterogeneous contact structure owing to social structure or trade networks. Network modelling is a flexible tool used to capture the heterogeneous contacts of a population in order to test hypotheses about the mechanisms of disease transmission, simulate and predict disease spread, and test disease control strategies. This review highlights how to use animal contact data, including social networks, for network modelling, and emphasizes that researchers should have a pathogen of interest in mind before collecting or using contact data. This paper describes the rising popularity of network approaches for understanding transmission dynamics in wild animal and livestock populations; discusses the common mismatch between contact networks as measured in animal behaviour and relevant parasites to match those networks; and highlights knowledge gaps in how to collect and analyse contact data. Opportunities for the future include increased attention to experiments, pathogen genetic markers and novel computational tools. PMID:25870393

Contact-assisted protein structure modeling by global optimization in CASP11.

PubMed

Joo, Keehyoung; Joung, InSuk; Cheng, Qianyi; Lee, Sung Jong; Lee, Jooyoung

2016-09-01

We have applied the conformational space annealing method to the contact-assisted protein structure modeling in CASP11. For Tp targets, where predicted residue-residue contact information was provided, the contact energy term in the form of the Lorentzian function was implemented together with the physical energy terms used in our template-free modeling of proteins. Although we observed some structural improvement of Tp models over the models predicted without the Tp information, the improvement was not substantial on average. This is partly due to the inaccuracy of the provided contact information, where only about 18% of it was correct. For Ts targets, where the information of ambiguous NOE (Nuclear Overhauser Effect) restraints was provided, we formulated the modeling in terms of the two-tier optimization problem, which covers: (1) the assignment of NOE peaks and (2) the three-dimensional (3D) model generation based on the assigned NOEs. Although solving the problem in a direct manner appears to be intractable at first glance, we demonstrate through CASP11 that remarkably accurate protein 3D modeling is possible by brute force optimization of a relevant energy function. For 19 Ts targets of the average size of 224 residues, generated protein models were of about 3.6 Å Cα atom accuracy. Even greater structural improvement was observed when additional Tc contact information was provided. For 20 out of the total 24 Tc targets, we were able to generate protein structures which were better than the best model from the rest of the CASP11 groups in terms of GDT-TS. Proteins 2016; 84(Suppl 1):189-199. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Matrix metalloproteinase-10/TIMP-2 structure and analyses define conserved core interactions and diverse exosite interactions in MMP/TIMP complexes.

PubMed

Batra, Jyotica; Soares, Alexei S; Mehner, Christine; Radisky, Evette S

2013-01-01

Matrix metalloproteinases (MMPs) play central roles in vertebrate tissue development, remodeling, and repair. The endogenous tissue inhibitors of metalloproteinases (TIMPs) regulate proteolytic activity by binding tightly to the MMP active site. While each of the four TIMPs can inhibit most MMPs, binding data reveal tremendous heterogeneity in affinities of different TIMP/MMP pairs, and the structural features that differentiate stronger from weaker complexes are poorly understood. Here we report the crystal structure of the comparatively weakly bound human MMP-10/TIMP-2 complex at 2.1 Å resolution. Comparison with previously reported structures of MMP-3/TIMP-1, MT1-MMP/TIMP-2, MMP-13/TIMP-2, and MMP-10/TIMP-1 complexes offers insights into the structural basis of binding selectivity. Our analyses identify a group of highly conserved contacts at the heart of MMP/TIMP complexes that define the conserved mechanism of inhibition, as well as a second category of diverse adventitious contacts at the periphery of the interfaces. The AB loop of the TIMP N-terminal domain and the contact loops of the TIMP C-terminal domain form highly variable peripheral contacts that can be considered as separate exosite interactions. In some complexes these exosite contacts are extensive, while in other complexes the AB loop or C-terminal domain contacts are greatly reduced and appear to contribute little to complex stability. Our data suggest that exosite interactions can enhance MMP/TIMP binding, although in the relatively weakly bound MMP-10/TIMP-2 complex they are not well optimized to do so. Formation of highly variable exosite interactions may provide a general mechanism by which TIMPs are fine-tuned for distinct regulatory roles in biology.

N-SCAN: new vibromodulation system for detection and monitoring of cracks and other contact-type defects

NASA Astrophysics Data System (ADS)

Donskoy, Dmitri; Ekimov, Alexander; Luzzato, Emile; Lottiaux, Jean-Louis; Stoupin, Stanislav; Zagrai, Andrei

2003-08-01

In recent years, innovative vibro-modulation technique has been introduced for detection of contact-type interfaces such as cracks, debondings, and delaminations. The technique utilizes the effect of nonlinear interaction of ultrasound and vibrations at the interface of the defect. Vibration varies on the contact area of the interface modulating passing through ultrasonic wave. The modulation manifests itself as additional side-band spectral components with the combination frequencies in the spectrum of the received signal. The presence of these components allows for detection and differentiation of the contact-type defects from other structural and material inhomogeneities. Vibro-modulation technique has been implemented in N-SCAN damage detection system. The system consists of a digital synthesizer, high and low frequency amplifiers, a magnetostrictive shaker, ultrasonic transducers and a PC-based data acquisition/processing station with N-SCAN software. The ability of the system to detect contact-type defects was experimentally verified using specimens of simple and complex geometries made of steel, aluminum, composites and other structural materials. N-SCAN proved to be very effective for nondestructive testing of full-scale structures ranging from 24 foot-long gun barrels to stainless steel pipes used in nuclear power plants. Among advantages of the system are applicability for the wide range of structural materials and for structures with complex geometries, real time data processing, convenient interface for system operation, simplicity of interpretation of results, no need for sensor scanning along structure, onsite inspection of large structures at a fraction of time as compared with conventional techniques. This paper describes the basic principles of nonlinear vibro-modulation NDE technique, some theoretical background for nonlinear interaction and justification of signal processing algorithm. It is also presents examples of practical implementation and application of the technique.

Prediction of protein long-range contacts using an ensemble of genetic algorithm classifiers with sequence profile centers.

PubMed

Chen, Peng; Li, Jinyan

2010-05-17

Prediction of long-range inter-residue contacts is an important topic in bioinformatics research. It is helpful for determining protein structures, understanding protein foldings, and therefore advancing the annotation of protein functions. In this paper, we propose a novel ensemble of genetic algorithm classifiers (GaCs) to address the long-range contact prediction problem. Our method is based on the key idea called sequence profile centers (SPCs). Each SPC is the average sequence profiles of residue pairs belonging to the same contact class or non-contact class. GaCs train on multiple but different pairs of long-range contact data (positive data) and long-range non-contact data (negative data). The negative data sets, having roughly the same sizes as the positive ones, are constructed by random sampling over the original imbalanced negative data. As a result, about 21.5% long-range contacts are correctly predicted. We also found that the ensemble of GaCs indeed makes an accuracy improvement by around 5.6% over the single GaC. Classifiers with the use of sequence profile centers may advance the long-range contact prediction. In line with this approach, key structural features in proteins would be determined with high efficiency and accuracy.

Statistical radii associated with amino acids to determine the contact map: fixing the structure of a type I cohesin domain in the Clostridium thermocellum cellulosome

NASA Astrophysics Data System (ADS)

Chwastyk, Mateusz; Poma Bernaola, Adolfo; Cieplak, Marek

2015-07-01

We propose to improve and simplify protein refinement procedures through consideration of which pairs of amino acid residues should form native contacts. We first consider 11 330 proteins from the CATH database to determine statistical distributions of contacts associated with a given type of amino acid. The distributions are set across the distances between the α-C atoms that are in contact. Based on this data, we determine typical radii of effective spheres that can be placed on the α-C atoms in order to reconstruct the distribution of the contact lengths. This is done by checking for overlaps with enlarged van der Waals spheres associated with heavy atoms on other amino acids. The resulting contacts can be used to identify non-native contacts that may arise during the time evolution of structure-based models. Here, the radii are used to guide reconstruction of nine missing side chains in a type I cohesin domain with the Protein Data Bank code 1AOH. We first identify the likely missing contacts and then sculpt the corresponding side chains by standard refinement tools to achieve consistency with the expected contact map. One ambiguity in refinement is resolved by determining all-atom conformational energies.

Field Extension of Real Values of Physical Observables in Classical Theory can Help Attain Quantum Results

NASA Astrophysics Data System (ADS)

Wang, Hai; Kumar, Asutosh; Cho, Minhyung; Wu, Junde

2018-04-01

Physical quantities are assumed to take real values, which stems from the fact that an usual measuring instrument that measures a physical observable always yields a real number. Here we consider the question of what would happen if physical observables are allowed to assume complex values. In this paper, we show that by allowing observables in the Bell inequality to take complex values, a classical physical theory can actually get the same upper bound of the Bell expression as quantum theory. Also, by extending the real field to the quaternionic field, we can puzzle out the GHZ problem using local hidden variable model. Furthermore, we try to build a new type of hidden-variable theory of a single qubit based on the result.

Noncommutative de Rham Cohomology of Finite Groups

NASA Astrophysics Data System (ADS)

Castellani, L.; Catenacci, R.; Debernardi, M.; Pagani, C.

We study de Rham cohomology for various differential calculi on finite groups G up to order 8. These include the permutation group S3, the dihedral group D4 and the quaternion group Q. Poincaré duality holds in every case, and under some assumptions (essentially the existence of a top form) we find that it must hold in general. A short review of the bicovariant (noncommutative) differential calculus on finite G is given for selfconsistency. Exterior derivative, exterior product, metric, Hodge dual, connections, torsion, curvature, and biinvariant integration can be defined algebraically. A projector decomposition of the braiding operator is found, and used in constructing the projector on the space of two-forms. By means of the braiding operator and the metric a knot invariant is defined for any finite group.

Neural network-based distributed attitude coordination control for spacecraft formation flying with input saturation.

PubMed

Zou, An-Min; Kumar, Krishna Dev

2012-07-01

This brief considers the attitude coordination control problem for spacecraft formation flying when only a subset of the group members has access to the common reference attitude. A quaternion-based distributed attitude coordination control scheme is proposed with consideration of the input saturation and with the aid of the sliding-mode observer, separation principle theorem, Chebyshev neural networks, smooth projection algorithm, and robust control technique. Using graph theory and a Lyapunov-based approach, it is shown that the distributed controller can guarantee the attitude of all spacecraft to converge to a common time-varying reference attitude when the reference attitude is available only to a portion of the group of spacecraft. Numerical simulations are presented to demonstrate the performance of the proposed distributed controller.

Accurate and efficient spin integration for particle accelerators

DOE PAGES

Abell, Dan T.; Meiser, Dominic; Ranjbar, Vahid H.; ...

2015-02-01

Accurate spin tracking is a valuable tool for understanding spin dynamics in particle accelerators and can help improve the performance of an accelerator. In this paper, we present a detailed discussion of the integrators in the spin tracking code GPUSPINTRACK. We have implemented orbital integrators based on drift-kick, bend-kick, and matrix-kick splits. On top of the orbital integrators, we have implemented various integrators for the spin motion. These integrators use quaternions and Romberg quadratures to accelerate both the computation and the convergence of spin rotations.We evaluate their performance and accuracy in quantitative detail for individual elements as well as formore » the entire RHIC lattice. We exploit the inherently data-parallel nature of spin tracking to accelerate our algorithms on graphics processing units.« less

The hypermultiplet with Heisenberg isometry in N = 2 global and local supersymmetry

NASA Astrophysics Data System (ADS)

Ambrosetti, Nicola; Antoniadis, Ignatios; Derendinger, Jean-Pierre; Tziveloglou, Pantelis

2011-06-01

The string coupling of N = 2 supersymmetric compactifications of type II string theory on a Calabi-Yau manifold belongs to the so-called universal dilaton hyper-multiplet, that has four real scalars living on a quaternion-Kähler manifold. Requiring Heisenberg symmetry, which is a maximal subgroup of perturbative isometries, reduces the possible manifolds to a one-parameter family that describes the tree-level effective action deformed by the only possible perturbative correction arising at one-loop level. A similar argument can be made at the level of global supersymmetry where the scalar manifold is hyper-Kähler. In this work, the connection between global and local supersymmetry is explicitly constructed, providing a non-trivial gravity decoupled limit of type II strings already in perturbation theory.

Interferometric Computation Beyond Quantum Theory

NASA Astrophysics Data System (ADS)

Garner, Andrew J. P.

2018-03-01

There are quantum solutions for computational problems that make use of interference at some stage in the algorithm. These stages can be mapped into the physical setting of a single particle travelling through a many-armed interferometer. There has been recent foundational interest in theories beyond quantum theory. Here, we present a generalized formulation of computation in the context of a many-armed interferometer, and explore how theories can differ from quantum theory and still perform distributed calculations in this set-up. We shall see that quaternionic quantum theory proves a suitable candidate, whereas box-world does not. We also find that a classical hidden variable model first presented by Spekkens (Phys Rev A 75(3): 32100, 2007) can also be used for this type of computation due to the epistemic restriction placed on the hidden variable.

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

Characterization of structural and electrostatic complexity in pentacene thin films by scanning probe microscopy

NASA Astrophysics Data System (ADS)

Puntambekar, Kanan Prakash

The advancement of organic electronics for applications in solar energy conversion, printed circuitry, displays, and solid-state lighting depends upon optimization of structure and properties for a variety of organic semiconductor interfaces. Organic semiconductor/insulator (O/I) and organic-metal (O/M) interfaces, in particular, are critical to the operation of organic thin film transistors (OTFTs) currently being developed for printed flexible electronics. Scanning probe microscopy (SPM) is a powerful tool to isolate and characterize the bottlenecks to charge transport at these interfaces. This thesis establishes a direct correlation between the structural disorder and electrical complexity at these interfaces, using various SPM based methods and discusses the implications of such complexity on device performance. To examine the O/M interfaces, surface potentials of operating pentacene TFTs with two different contact geometries (bottom or top) were mapped by Kelvin probe force microscopy (KFM). The surface potential distribution was used to isolate the potential drops at the source and drain contacts. Simultaneously obtained topography and surface potential maps elucidated the correlation between the morphology and contact resistance at the O/M interface; the bottom contact TFTs were observed to be contact limited at large gate voltages, while the top contact TFTs were not contact limited. A direct correlation between structural defects and electric potential variations at the pentacene and silicon dioxide, a common insulator, is demonstrated. Lateral force microscopy (LFM) generates striking images of the polycrystalline microstructure of a monolayer thick pentacene film, allowing clear visualization of the grain boundary network. Further more, surface potential wells localized at the grain boundaries were observed by KFM, suggesting that the grain boundaries may serve as charge carrier (hole) traps. Line dislocations were also revealed in the second monolayer by chemical etching and SPM and produce strong variations in the surface potential that must affect the interfacial charge conductance. Structural disorder at the O/I and O/M interfaces degrades both injection and transport of charge, and therefore needs to be minimized. Thus both visualization and correlation of structural and electrical complexity at these interfaces have important implications for understanding electrical transport in OTFTs and for defining strategies to improve device performance.

Efficient local behavioral-change strategies to reduce the spread of epidemics in networks

NASA Astrophysics Data System (ADS)

Bu, Yilei; Gregory, Steve; Mills, Harriet L.

2013-10-01

It has recently become established that the spread of infectious diseases between humans is affected not only by the pathogen itself but also by changes in behavior as the population becomes aware of the epidemic, for example, social distancing. It is also well known that community structure (the existence of relatively densely connected groups of vertices) in contact networks influences the spread of disease. We propose a set of local strategies for social distancing, based on community structure, that can be employed in the event of an epidemic to reduce the epidemic size. Unlike most social distancing methods, ours do not require individuals to know the disease state (infected or susceptible, etc.) of others, and we do not make the unrealistic assumption that the structure of the entire contact network is known. Instead, the recommended behavior change is based only on an individual's local view of the network. Each individual avoids contact with a fraction of his/her contacts, using knowledge of his/her local network to decide which contacts should be avoided. If the behavior change occurs only when an individual becomes ill or aware of the disease, these strategies can substantially reduce epidemic size with a relatively small cost, measured by the number of contacts avoided.

Design and fabrication of highly hydrophobic Mn nano-sculptured thin films and evaluation of surface properties on hydrophobicity

NASA Astrophysics Data System (ADS)

Hosseini, Somaye; Savaloni, Hadi; Gholipour-Shahraki, Mehran

2017-03-01

The wettability of solid surfaces is important from the aspects of both science and technology. The Mn nano-sculptured thin films were designed and fabricated by oblique angle deposition of Mn on glass substrates at room temperature. The obtained structure was characterized by field emission scanning electron microscopy and atomic force microscopy. The wettability of thin films samples was investigated by water contact angle (WCA). The 4-pointed helical star-shaped structure exhibits hydrophobicity with static WCAs of more than 133° for a 10-mg distilled water droplet. This sample also shows the rose petal effect with the additional property of high adhesion. The Mn nano-sculptured thin films also act as a sticky surface which is confirmed by hysteresis of the contact angle obtained from advancing and receding contact angles measurements. Physicochemical property of liquid phase could effectively change the contact angle, and polar solvents in contact with hydrophobic solid surfaces do not necessarily show high contact angle value.

Activity-dependent decrease in contact areas between subsurface cisterns and plasma membrane of hippocampal neurons.

PubMed

Tao-Cheng, Jung-Hwa

2018-04-16

Subsurface cistern (SSC) in neuronal soma and primary dendrites is a specialized compartment of endoplasmic reticulum (ER) that is in close apposition (10 nm) with the plasma membrane (PM). ER-PM contact areas are thought to be involved in intracellular calcium regulation. Here, structural changes of SSC in hippocampal neurons were examined by electron microscopy upon depolarization with high K + (90 mM) or application of NMDA (50 μM) in rat dissociated cultures as well as organotypic slice cultures. The number and average length of SSC-PM contact areas in neuronal somas significantly decreased within 30 s under excitatory condition. This decrease in SSC-PM contact area progressed with time and was reversible. These results demonstrate a structural decoupling between the SSC and the PM upon stimulation, suggesting that there may be a functional decoupling of the calcium regulation. Because SSC-PM contact areas may mediate calcium influx, the decrease in contact area may protect neurons from calcium overload upon heightened stimulation.

Innovative Constructions in Dutch Turkish: An Assessment of Ongoing Contact-Induced Change

ERIC Educational Resources Information Center

Dogruöz, A. Seza; Backus, Ad

2009-01-01

Turkish as spoken in the Netherlands (NL-Turkish) sounds "different" (unconventional) to Turkish speakers in Turkey (TR-Turkish). We claim that this is due to structural contact-induced change that is, however, located within specific lexically complex units copied from Dutch. This article investigates structural change in NL-Turkish…

33 CFR 183.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... defined by a series of points of contact, with the boat structure, by straight lines at 45 degree angles... the line defined by a series of points of contact with the boat structure, by straight lines at 45 degree angles to the horizontal and contained in a vertical plane normal to the outside edge of the boat...

Superhydrophobic surfaces: From nature to biomimetic through VOF simulation.

PubMed

Liu, Chunbao; Zhu, Ling; Bu, Weiyang; Liang, Yunhong

2018-04-01

The contact angle, surface structure and chemical compositions of Canna leaves were investigated. According to the surface structure of Canna leaves which observed by Scanning Electron Microscopy(SEM), the CFD (Computational Fluid Dynamics)model was established and the method of volume of fluid (VOF) was used to simulate the process of droplet impacting on the surface and established a smooth surface for comparison to verify that the surface structure was an important factor of the superhydrophobic properties. Based on the study of Canna leaf and VOF simulation of its surface structure, the superhydrophobic samples were processed successfully and showed a good superhydrophobic property with a contact angle of 156 ± 1 degrees. A high-speed camera (5000 frames per second) was used to assess droplet movement and determine the contact time of the samples. The contact time for the sample was 13.1 ms. The results displayed that the artificial superhydrophobic surface is perfect for the performance of superhydrophobic properties. The VOF simulation method was efficient, accurate and low cost before machining artificial superhydrophobic samples. Copyright © 2018 Elsevier Ltd. All rights reserved.

Non-Contact Smartphone-Based Monitoring of Thermally Stressed Structures

PubMed Central

Ozturk, Turgut; Mas, David; Rizzo, Piervincenzo

2018-01-01

The in-situ measurement of thermal stress in beams or continuous welded rails may prevent structural anomalies such as buckling. This study proposed a non-contact monitoring/inspection approach based on the use of a smartphone and a computer vision algorithm to estimate the vibrating characteristics of beams subjected to thermal stress. It is hypothesized that the vibration of a beam can be captured using a smartphone operating at frame rates higher than conventional 30 Hz, and the first few natural frequencies of the beam can be extracted using a computer vision algorithm. In this study, the first mode of vibration was considered and compared to the information obtained with a conventional accelerometer attached to the two structures investigated, namely a thin beam and a thick beam. The results show excellent agreement between the conventional contact method and the non-contact sensing approach proposed here. In the future, these findings may be used to develop a monitoring/inspection smartphone application to assess the axial stress of slender structures, to predict the neutral temperature of continuous welded rails, or to prevent thermal buckling. PMID:29670034

Non-Contact Smartphone-Based Monitoring of Thermally Stressed Structures.

PubMed

Sefa Orak, Mehmet; Nasrollahi, Amir; Ozturk, Turgut; Mas, David; Ferrer, Belen; Rizzo, Piervincenzo

2018-04-18

The in-situ measurement of thermal stress in beams or continuous welded rails may prevent structural anomalies such as buckling. This study proposed a non-contact monitoring/inspection approach based on the use of a smartphone and a computer vision algorithm to estimate the vibrating characteristics of beams subjected to thermal stress. It is hypothesized that the vibration of a beam can be captured using a smartphone operating at frame rates higher than conventional 30 Hz, and the first few natural frequencies of the beam can be extracted using a computer vision algorithm. In this study, the first mode of vibration was considered and compared to the information obtained with a conventional accelerometer attached to the two structures investigated, namely a thin beam and a thick beam. The results show excellent agreement between the conventional contact method and the non-contact sensing approach proposed here. In the future, these findings may be used to develop a monitoring/inspection smartphone application to assess the axial stress of slender structures, to predict the neutral temperature of continuous welded rails, or to prevent thermal buckling.

Non-Dissipative Structural Evolutions in Granular Materials

NASA Astrophysics Data System (ADS)

Pouragha, Mehdi; Wan, Richard

2017-06-01

The structure of the contact network in granular assemblies can evolve due to either dissipative mechanisms such as sliding at contact points, or non-dissipative mechanisms through the phenomenon of contact gain and loss. Being associated with negligible deformations, non-dissipative mechanisms is actually active even in the small strain range of 10-3, especially in the case of densely packed assemblies. Hence, from a constitutive modelling point of view, it is crucial to be able to estimate such non-dissipative evolutions since both elastic and plastic properties of granular assemblies highly depend on contact network characteristics. The current study proposes an analytical scheme that allows us to estimate the non-dissipative contact gain/loss regime in terms of directional changes in the average contact force. The probability distribution of contact forces is used to compute the number of lost contact for each direction. Similarly, the number of newly formed contacts is estimated by considering the probability distribution of the gap between neighbouring particles. Based on the directional contact gain/loss computed, the changes in coordination number and fabric anisotropy can be found which, together with statistical treatments of Love-Weber stress expression, form a complete system of equations describing the evolution of other controlling microvariables. Finally, the results of the calculations have been compared with DEM simulations which verify the accuracy of the proposed scheme.

Quantifying the relationship between vehicle interior geometry and child restraint systems.

PubMed

Sherwood, C P; Abdelilah, Y; Crandall, J R

2006-01-01

The prevention of interactions of children or child restraints with other vehicle structures is critical to child passenger safety. Fifteen current vehicles and seven rear and forward facing child restraint systems were measured in an attempt to quantify the available distance between child restraints and these vehicle structures. Rear facing child restraints exhibited such small amounts of clearance that contact would be expected in the majority of frontal crashes. Upper tethers are critical in the prevention of head contact, while head contact is likely when the upper tether is not used.

Effects of contact network structure on epidemic transmission trees: implications for data required to estimate network structure.

PubMed

Carnegie, Nicole Bohme

2018-01-30

Understanding the dynamics of disease spread is key to developing effective interventions to control or prevent an epidemic. The structure of the network of contacts over which the disease spreads has been shown to have a strong influence on the outcome of the epidemic, but an open question remains as to whether it is possible to estimate contact network features from data collected in an epidemic. The approach taken in this paper is to examine the distributions of epidemic outcomes arising from epidemics on networks with particular structural features to assess whether that structure could be measured from epidemic data and what other constraints might be needed to make the problem identifiable. To this end, we vary the network size, mean degree, and transmissibility of the pathogen, as well as the network feature of interest: clustering, degree assortativity, or attribute-based preferential mixing. We record several standard measures of the size and spread of the epidemic, as well as measures that describe the shape of the transmission tree in order to ascertain whether there are detectable signals in the final data from the outbreak. The results suggest that there is potential to estimate contact network features from transmission trees or pure epidemic data, particularly for diseases with high transmissibility or for which the relevant contact network is of low mean degree. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Seasonality and pathogen transmission in pastoral cattle contact networks.

PubMed

VanderWaal, Kimberly; Gilbertson, Marie; Okanga, Sharon; Allan, Brian F; Craft, Meggan E

2017-12-01

Capturing heterogeneity in contact patterns in animal populations is essential for understanding the spread of infectious diseases. In contrast to other regions of the world in which livestock movement networks are integral to pathogen prevention and control policies, contact networks are understudied in pastoral regions of Africa due to the challenge of measuring contact among mobile herds of cattle whose movements are driven by access to resources. Furthermore, the extent to which seasonal changes in the distribution of water and resources impacts the structure of contact networks in cattle is uncertain. Contact networks may be more conducive to pathogen spread in the dry season due to congregation at limited water sources. Alternatively, less abundant forage may result in decreased pathogen transmission due to competitive avoidance among herds, as measured by reduced contact rates. Here, we use GPS technology to concurrently track 49 free-roaming cattle herds within a semi-arid region of Kenya, and use these data to characterize seasonal contact networks and model the spread of a highly infectious pathogen. This work provides the first empirical data on the local contact network structure of mobile herds based on quantifiable contact events. The contact network demonstrated high levels of interconnectivity. An increase in contacts near to water resources in the dry season resulted in networks with both higher contact rates and higher potential for pathogen spread than in the wet season. Simulated disease outbreaks were also larger in the dry season. Results support the hypothesis that limited water resources enhance connectivity and transmission within contact networks, as opposed to reducing connectivity as a result of competitive avoidance. These results cast light on the impact of seasonal heterogeneity in resource availability on predicting pathogen transmission dynamics, which has implications for other free-ranging wild and domestic populations.

Informing Disease Models with Temporal and Spatial Contact Structure among GPS-Collared Individuals in Wild Populations

PubMed Central

Williams, David M.; Dechen Quinn, Amy C.; Porter, William F.

2014-01-01

Contacts between hosts are essential for transmission of many infectious agents. Understanding how contacts, and thus transmission rates, occur in space and time is critical to effectively responding to disease outbreaks in free-ranging animal populations. Contacts between animals in the wild are often difficult to observe or measure directly. Instead, one must infer contacts from metrics such as proximity in space and time. Our objective was to examine how contacts between white-tailed deer (Odocoileus virginianus) vary in space and among seasons. We used GPS movement data from 71 deer in central New York State to quantify potential direct contacts between deer and indirect overlap in space use across time and space. Daily probabilities of direct contact decreased from winter (0.05–0.14), to low levels post-parturition through summer (0.00–0.02), and increased during the rut to winter levels. The cumulative distribution for the spatial structure of direct and indirect contact probabilities around a hypothetical point of occurrence increased rapidly with distance for deer pairs separated by 1,000 m – 7,000 m. Ninety-five percent of the probabilities of direct contact occurred among deer pairs within 8,500 m of one another, and 99% within 10,900 m. Probabilities of indirect contact accumulated across greater spatial extents: 95% at 11,900 m and 99% at 49,000 m. Contacts were spatially consistent across seasons, indicating that although contact rates differ seasonally, they occur proportionally across similar landscape extents. Distributions of contact probabilities across space can inform management decisions for assessing risk and allocating resources in response. PMID:24409293

Discontinuous contact line motion of evaporating particle-laden droplet on superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Yamada, Yutaka; Horibe, Akihiko

2018-04-01

The three-phase contact line motion on a superhydrophobic surface through particle-laden sessile droplet evaporation was investigated. Sample surfaces with micro- and nanoscale structures were generated by various durations of chemical treatment and Si O2 spherical particles with different sizes were used as additives of test liquid. The contact angle and contact radius profiles were studied, and the discontinuous motion of those profiles on micro- and nanostructured hierarchical surfaces was observed, while it was not observed on a nanostructured superhydrophobic surface. Suspensions with low particle concentration induced a relatively large contact radius jump compared to the high-concentrated condition; in contrast, the previous report showed the opposite trend for flat surfaces. In order to explain this result, a simple explanation was provided—that the stacked particles at the contact line region suppressed to the deformation of the liquid-vapor interface near the contact line. This is confirmed by side-view images of the deposition results because the contact line region after evaporation of the dense suspension showed a large contact angle compared to that of the diluted suspension. In addition, deposition at the contact line region was observed by scanning electron microscopy to discuss the effect of the characteristic length scale of the surface structure and particles on the contact line motion. We believe that these results will help one to understand the deposition phenomenon during particle-laden droplet evaporation on the superhydrophobic surface and its applications such as evaporation-driven materials deposition.

High-Frequency, High-Temperature Fretting Experiments

NASA Technical Reports Server (NTRS)

Matlik, J. F.; Farris, T. N.; Haake, F. K.; Swanson, G. R.; Duke, G. C.

2005-01-01

Fretting is a structural damage mechanism observed when two nominally clamped surfaces are subjected to an oscillatory loading. A critical location for fretting induced damage has been identified at the blade/disk and blade/damper interfaces of gas turbine engine turbomachinery and space propulsion components. The high-temperature, high-frequency loading environment seen by these components lead to severe stress gradients at the edge-of-contact. These contact stresses drive crack nucleation and propagation in fretting and are very sensitive to the geometry of the contacting bodies, the contact loads, materials, temperature, and contact surface tribology (friction). To diagnose the threat that small and relatively undetectable fretting cracks pose to damage tolerance and structural integrity of in-service components, the objective of this work is to develop a well-characterized experimental fretting rig capable of investigating fretting behavior of advanced aerospace alloys subjected to load and temperature conditions representative of such turbomachinery components.

Automated identification of functional dynamic networks from X-ray crystallography

PubMed Central

van den Bedem, Henry; Bhabha, Gira; Yang, Kun; Wright, Peter E.; Fraser, James S.

2013-01-01

Protein function often depends on the exchange between conformational substates. Allosteric ligand binding or distal mutations can stabilize specific active site conformations and consequently alter protein function. In addition to comparing independently determined X-ray crystal structures, alternative conformations observed at low levels of electron density have the potential to provide mechanistic insights into conformational dynamics. Here, we report a new multi-conformer contact network algorithm (CONTACT) that identifies networks of conformationally heterogeneous residues directly from high-resolution X-ray crystallography data. Contact networks in Escherichia coli dihydrofolate reductase (ecDHFR) predict the long-range pattern of NMR chemical shift perturbations of an allosteric mutation. A comparison of contact networks in wild type and mutant ecDHFR suggests how mutations that alter optimized networks of coordinated motions can impair catalytic function. Thus, CONTACT-guided mutagenesis will allow the structure-dynamics-function relationship to be exploited in protein engineering and design. PMID:23913260

Low resistance Ohmic contact to p-type crystalline silicon via nitrogen-doped copper oxide films

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

Zhang, Xinyu, E-mail: xinyu.zhang@anu.edu.au; Wan, Yimao; Bullock, James

2016-08-01

This work explores the application of transparent nitrogen doped copper oxide (CuO{sub x}:N) films deposited by reactive sputtering to create hole-selective contacts for p-type crystalline silicon (c-Si) solar cells. It is found that CuO{sub x}:N sputtered directly onto crystalline silicon is able to form an Ohmic contact. X-ray photoelectron spectroscopy and Raman spectroscopy measurements are used to characterise the structural and physical properties of the CuO{sub x}:N films. Both the oxygen flow rate and the substrate temperature during deposition have a significant impact on the film composition, as well as on the resulting contact resistivity. After optimization, a low contactmore » resistivity of ∼10 mΩ cm{sup 2} has been established. This result offers significant advantages over conventional contact structures in terms of carrier transport and device fabrication.« less

Enhanced Semiconductor Nanocrystal Conductance via Solution Grown Contacts

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

Sheldon, Matthew T.; Trudeau, Paul-Emile; Mokari, Taleb

We report a 100,000-fold increase in the conductance of individual CdSe nanorods when they are electrically contacted via direct solution phase growth of Au tips on the nanorod ends. Ensemble UV-Vis and X-Ray photoelectron spectroscopy indicate this enhancement does not result from alloying of the nanorod. Rather, low temperature tunneling and high temperature (250-400 K) thermionic emission across the junction at the Au contact reveal a 75percent lower interface barrier to conduction compared to a control sample. We correlate this barrier lowering with the electronic structure at the Au-CdSe interface. Our results emphasize the importance of nanocrystal surface structure formore » robust device performance and the advantage of this contact method.« less

The Sun-Earth connect 2: Modelling patterns of a fractal Sun in time and space using the fine structure constant

NASA Astrophysics Data System (ADS)

Baker, Robert G. V.

2017-02-01

Self-similar matrices of the fine structure constant of solar electromagnetic force and its inverse, multiplied by the Carrington synodic rotation, have been previously shown to account for at least 98% of the top one hundred significant frequencies and periodicities observed in the ACRIM composite irradiance satellite measurement and the terrestrial 10.7cm Penticton Adjusted Daily Flux data sets. This self-similarity allows for the development of a time-space differential equation (DE) where the solutions define a solar model for transmissions through the core, radiative, tachocline, convective and coronal zones with some encouraging empirical and theoretical results. The DE assumes a fundamental complex oscillation in the solar core and that time at the tachocline is smeared with real and imaginary constructs. The resulting solutions simulate for tachocline transmission, the solar cycle where time-line trajectories either 'loop' as Hermite polynomials for an active Sun or 'tail' as complementary error functions for a passive Sun. Further, a mechanism that allows for the stable energy transmission through the tachocline is explored and the model predicts the initial exponential coronal heating from nanoflare supercharging. The twisting of the field at the tachocline is then described as a quaternion within which neutrinos can oscillate. The resulting fractal bubbles are simulated as a Julia Set which can then aggregate from nanoflares into solar flares and prominences. Empirical examples demonstrate that time and space fractals are important constructs in understanding the behaviour of the Sun, from the impact on climate and biological histories on Earth, to the fractal influence on the spatial distributions of the solar system. The research suggests that there is a fractal clock underpinning solar frequencies in packages defined by the fine structure constant, where magnetic flipping and irradiance fluctuations at phase changes, have periodically impacted on the Earth and the rest of the solar system since time immemorial.

Investigation of transparent zinc oxide-based contacts for high performance III-nitride light emitting diodes

NASA Astrophysics Data System (ADS)

Jung, Sungpyo

In this dissertation, we investigate Al-doped ZnO(AZO) contact structure to a variety of GaN LED structures. Our results show that ZnO is a potentially viable transparent contact for GaN-based LEDs. We began our investigation by depositing AZO and Ni/AZO contacts to p-GaN. However, these contacts are highly resistive. Next, we deposited thin Ni/Au layer, oxidized the Ni/Au layer to form a good ohmic contact to p-GaN, and then followed by the deposition of thick AZO layer. However, the electrical resistance of oxidized Ni/Au-AZO contacts is higher than that of the conventional Ni/Au contacts. We solve the high contact resistance problem by using a two-step thermal annealing process. In this method, Ni/Au layer is deposited first followed by the AZO layer without any annealing step. After finishing the device fabrication, the samples are annealed in air first to achieve low contact resistance with Ni/Au/AZO and p-GaN and then annealed in nitrogen to achieve low sheet resistance for the AZO layer. The improved electrical and optical characteristics of this scheme compared to conventional Ni/Au contact scheme are demonstrated on a variety of GaN LEDs: blue, green, small area, large area and bottom emitting LEDs. The benefits of ZnO-based contacts are more significant in large area LEDs that include lower forward voltage, and higher optical emission, better emission uniformity and reliability. The advantages of ZnO-based contact in terms of lower contact resistance and higher optical emission on LED fabricated on roughened GaN wafers are also demonstrated. For bottom emitting LED structure intended for flip chip applications, our original oxidized Ni/Au layer over coated with either Al or Ag contacts have shown to simultaneously yield superior I-V characteristics and greatly enhanced optical performance compared to conventional LEDs using a thick Ni/Au contact in the flip-chip configuration. However, the contact is unstable at operating temperatures > 100°C due to close proximity of Ag and Al with p-GaN. Here, the ZnO layer probably can be interdiffusion barrier layer of Al into GaN. We have demonstrated low contact resistance and higher light emission by using ZnO as a barrier material between oxidize Ni/Au and Al reflecting layer. In summary, our investigation demonstrates the applicability of ZnO-based transparent contacts for high performance LEDs that will be larger in size and are expected to be operating at higher current for solid-state lighting of the future. (Abstract shortened by UMI.)

Process and structures for fabrication of solar cells with laser ablation steps to form contact holes

DOEpatents

Harley, Gabriel; Smith, David D; Dennis, Tim; Waldhauer, Ann; Kim, Taeseok; Cousins, Peter John

2013-11-19

Contact holes of solar cells are formed by laser ablation to accomodate various solar cell designs. Use of a laser to form the contact holes is facilitated by replacing films formed on the diffusion regions with a film that has substantially uniform thickness. Contact holes may be formed to deep diffusion regions to increase the laser ablation process margins. The laser configuration may be tailored to form contact holes through dielectric films of varying thickness.

Fluid to fluid contact heat exchanger

NASA Technical Reports Server (NTRS)

Clark, W. E.

1986-01-01

Heat transfer and pressure drop test results for a fluid to fluid contact heat exchanger are reported. The heat exchanger, fabricated and tested to demonstrate one method of transferring heat between structures in space, had a total contact area of 0.18 sq m. It utilized contact surfaces which were flexible and conformed to the mating contact surfaces upon pressurization of the fluid circulating within the heat exchanger. During proof-of-concept performance tests, the heat exchanger was operated in a typical earth environment. It demonstrated a contact conductance of 3.8 kW/sq m C at contact pressures in the 15 to 70 kPa range.

The CAD-score web server: contact area-based comparison of structures and interfaces of proteins, nucleic acids and their complexes.

PubMed

Olechnovič, Kliment; Venclovas, Ceslovas

2014-07-01

The Contact Area Difference score (CAD-score) web server provides a universal framework to compute and analyze discrepancies between different 3D structures of the same biological macromolecule or complex. The server accepts both single-subunit and multi-subunit structures and can handle all the major types of macromolecules (proteins, RNA, DNA and their complexes). It can perform numerical comparison of both structures and interfaces. In addition to entire structures and interfaces, the server can assess user-defined subsets. The CAD-score server performs both global and local numerical evaluations of structural differences between structures or interfaces. The results can be explored interactively using sortable tables of global scores, profiles of local errors, superimposed contact maps and 3D structure visualization. The web server could be used for tasks such as comparison of models with the native (reference) structure, comparison of X-ray structures of the same macromolecule obtained in different states (e.g. with and without a bound ligand), analysis of nuclear magnetic resonance (NMR) structural ensemble or structures obtained in the course of molecular dynamics simulation. The web server is freely accessible at: http://www.ibt.lt/bioinformatics/cad-score. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

A Feasibility Study on Numerical Modeling of Large-Scale Naval Fluid-Filled Structure: Contact-Impact Problems

DTIC Science & Technology

2011-02-01

capabilities for airbags , sensors, and seatbelts have tailored the code for applications in the automotive industry. Currently the code contains...larger intervals. In certain contact scenarios where contacting parts are moving relative to each other in a rapid fashion, such as airbag deployment

Contact dependence of the conductance through C60

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Stafström, Sven

1998-08-01

The electronic transmission through a C60 molecule is studied with emphasis on the contact geometry. The transmission can not be understood simply by the electronic structure of the C60 molecule itself, interference effects related to the metal/molecule contact are in fact very important for the conductance.

In Search of a Unified Model of Language Contact

ERIC Educational Resources Information Center

Winford, Donald

2013-01-01

Much previous research has pointed to the need for a unified framework for language contact phenomena -- one that would include social factors and motivations, structural factors and linguistic constraints, and psycholinguistic factors involved in processes of language processing and production. While Contact Linguistics has devoted a great deal…

EpiContactTrace: an R-package for contact tracing during livestock disease outbreaks and for risk-based surveillance.

PubMed

Nöremark, Maria; Widgren, Stefan

2014-03-17

During outbreak of livestock diseases, contact tracing can be an important part of disease control. Animal movements can also be of relevance for risk-based surveillance and sampling, i.e. both when assessing consequences of introduction or likelihood of introduction. In many countries, animal movement data are collected with one of the major objectives to enable contact tracing. However, often an analytical step is needed to retrieve appropriate information for contact tracing or surveillance. In this study, an open source tool was developed to structure livestock movement data to facilitate contact-tracing in real time during disease outbreaks and for input in risk-based surveillance and sampling. The tool, EpiContactTrace, was written in the R-language and uses the network parameters in-degree, out-degree, ingoing contact chain and outgoing contact chain (also called infection chain), which are relevant for forward and backward tracing respectively. The time-frames for backward and forward tracing can be specified independently and search can be done on one farm at a time or for all farms within the dataset. Different outputs are available; datasets with network measures, contacts visualised in a map and automatically generated reports for each farm either in HTML or PDF-format intended for the end-users, i.e. the veterinary authorities, regional disease control officers and field-veterinarians. EpiContactTrace is available as an R-package at the R-project website (http://cran.r-project.org/web/packages/EpiContactTrace/). We believe this tool can help in disease control since it rapidly can structure essential contact information from large datasets. The reproducible reports make this tool robust and independent of manual compilation of data. The open source makes it accessible and easily adaptable for different needs.

Modular Organization of Residue-Level Contacts Shapes the Selection Pressure on Individual Amino Acid Sites of Ribosomal Proteins.

PubMed

Mallik, Saurav; Kundu, Sudip

2017-04-01

Understanding the molecular evolution of macromolecular complexes in the light of their structure, assembly, and stability is of central importance. Here, we address how the modular organization of native molecular contacts shapes the selection pressure on individual residue sites of ribosomal complexes. The bacterial ribosomal complex is represented as a residue contact network where nodes represent amino acid/nucleotide residues and edges represent their van der Waals interactions. We find statistically overrepresented native amino acid-nucleotide contacts (OaantC, one amino acid contacts one or multiple nucleotides, internucleotide contacts are disregarded). Contact number is defined as the number of nucleotides contacted. Involvement of individual amino acids in OaantCs with smaller contact numbers is more random, whereas only a few amino acids significantly contribute to OaantCs with higher contact numbers. An investigation of structure, stability, and assembly of bacterial ribosome depicts the involvement of these OaantCs in diverse biophysical interactions stabilizing the complex, including high-affinity protein-RNA contacts, interprotein cooperativity, intersubunit bridge, packing of multiple ribosomal RNA domains, etc. Amino acid-nucleotide constituents of OaantCs with higher contact numbers are generally associated with significantly slower substitution rates compared with that of OaantCs with smaller contact numbers. This evolutionary rate heterogeneity emerges from the strong purifying selection pressure that conserves the respective amino acid physicochemical properties relevant to the stabilizing interaction with OaantC nucleotides. An analysis of relative molecular orientations of OaantC residues and their interaction energetics provides the biophysical ground of purifying selection conserving OaantC amino acid physicochemical properties. © The Author(s) 2017. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

Modeling and Control of a Tailsitter with a Ducted Fan

NASA Astrophysics Data System (ADS)

Argyle, Matthew Elliott

There are two traditional aircraft categories: fixed-wing which have a long endurance and a high cruise airspeed and rotorcraft which can take-off and land vertically. The tailsitter is a type of aircraft that has the strengths of both platforms, with no additional mechanical complexity, because it takes off and lands vertically on its tail and can transition the entire aircraft horizontally into high-speed flight. In this dissertation, we develop the entire control system for a tailsitter with a ducted fan. The standard method to compute the quaternion-based attitude error does not generate ideal trajectories for a hovering tailsitter for some situations. In addition, the only approach in the literature to mitigate this breaks down for large attitude errors. We develop an alternative quaternion-based error method which generates better trajectories than the standard approach and can handle large errors. We also derive a hybrid backstepping controller with almost global asymptotic stability based on this error method. Many common altitude and airspeed control schemes for a fixed-wing airplane assume that the altitude and airspeed dynamics are decoupled which leads to errors. The Total Energy Control System (TECS) is an approach that controls the altitude and airspeed by manipulating the total energy rate and energy distribution rate, of the aircraft, in a manner which accounts for the dynamic coupling. In this dissertation, a nonlinear controller, which can handle inaccurate thrust and drag models, based on the TECS principles is derived. Simulation results show that the nonlinear controller has better performance than the standard PI TECS control schemes. Most constant altitude transitions are accomplished by generating an optimal trajectory, and potentially actuator inputs, based on a high fidelity model of the aircraft. While there are several approaches to mitigate the effects of modeling errors, these do not fully remove the accurate model requirement. In this dissertation, we develop two different approaches that can achieve near constant altitude transitions for some types of aircraft. The first method, based on multiple LQR controllers, requires a high fidelity model of the aircraft. However, the second method, based on the energy along the body axes, requires almost no aerodynamic information.

a Perspective on the Magic Square and the "special Unitary" Realization of Real Simple Lie Algebras

NASA Astrophysics Data System (ADS)

Santander, Mariano

2013-07-01

This paper contains the last part of the minicourse "Spaces: A Perspective View" delivered at the IFWGP2012. The series of three lectures was intended to bring the listeners from the more naive and elementary idea of space as "our physical Space" (which after all was the dominant one up to the 1820s) through the generalization of the idea of space which took place in the last third of the 19th century. That was a consequence of first the discovery and acceptance of non-Euclidean geometry and second, of the views afforded by the works of Riemann and Klein and continued since then by many others, outstandingly Lie and Cartan. Here we deal with the part of the minicourse which centers on the classification questions associated to the simple real Lie groups. We review the original introduction of the Magic Square "á la Freudenthal", putting the emphasis in the role played in this construction by the four normed division algebras ℝ, ℂ, ℍ, 𝕆. We then explore the possibility of understanding some simple real Lie algebras as "special unitary" over some algebras 𝕂 or tensor products 𝕂1 ⊗ 𝕂2, and we argue that the proper setting for this construction is not to confine only to normed division algebras, but to allow the split versions ℂ‧, ℍ‧, 𝕆‧ of complex, quaternions and octonions as well. This way we get a "Grand Magic Square" and we fill in all details required to cover all real forms of simple real Lie algebras within this scheme. The paper ends with the complete lists of all realizations of simple real Lie algebras as "special unitary" (or only unitary when n = 2) over some tensor product of two *-algebras 𝕂1, 𝕂2, which in all cases are obtained from ℝ, ℂ, ℂ‧, ℍ, ℍ‧, 𝕆, 𝕆‧ as sets, endowing them with a *-conjugation which usually but not always is the natural complex, quaternionic or octonionic conjugation.

Spinning Spacecraft Attitude Estimation Using Markley Variables: Filter Implementation And Results

NASA Technical Reports Server (NTRS)

Sedlak, Joseph E.

2005-01-01

Attitude estimation is often more difficult for spinning spacecraft than for three-axis stabilized platforms due to the need to follow rapidly-varying state vector elements and the lack of three-axis rate measurements from gyros. The estimation problem simplifies when torques are negligible and nutation has damped out, but the general case requires a sequential filter with dynamics propagation. This paper describes the implementation and test results for an extended Kalman filter for spinning spacecraft attitude and rate estimation based on a novel set of variables suggested in a paper by Markley [AAS93-3301 (referred to hereafter as Markley variables). Markley has demonstrated that the new set of variables provides a superior parameterization for numerical integration of the attitude dynamics for spinning or momentum-biased spacecraft. The advantage is that the Markley variables have fewer rapidly-varying elements than other representations such as the attitude quaternion and rate vector. A filter based on these variables was expected to show improved performance due to the more accurate numerical state propagation. However, for a variety of test cases, it has been found that the new filter, as currently implemented, does not perform significantly better than a quaternion-based filter that was developed and tested in parallel. This paper reviews the mathematical background for a filter based on Markley variables. It also describes some features of the implementation and presents test results. The test cases are based on a mission using magnetometer and Sun sensor data and gyro measurements on two axes normal to the spin axis. The orbit and attitude scenarios and spacecraft parameters are modeled after one of the THEMIS (Time History of Events and Macroscale Interactions during Substorms) probes. Several tests are presented that demonstrate the filter accuracy and convergence properties. The tests include torque-free motion with various nutation angles, large constant-torque attitude slews, sensor misalignments, large initial attitude and rate errors, and cases with low data frequency. It is found that the convergence is rapid, the radius of convergence is large, and the results are reasonably accurate even in the presence of unmodeled perturbations.

Analysis of seismic waves crossing the Santa Clara Valley using the three-component MUSIQUE array algorithm

NASA Astrophysics Data System (ADS)

Hobiger, Manuel; Cornou, Cécile; Bard, Pierre-Yves; Le Bihan, Nicolas; Imperatori, Walter

2016-10-01

We introduce the MUSIQUE algorithm and apply it to seismic wavefield recordings in California. The algorithm is designed to analyse seismic signals recorded by arrays of three-component seismic sensors. It is based on the MUSIC and the quaternion-MUSIC algorithms. In a first step, the MUSIC algorithm is applied in order to estimate the backazimuth and velocity of incident seismic waves and to discriminate between Love and possible Rayleigh waves. In a second step, the polarization parameters of possible Rayleigh waves are analysed using quaternion-MUSIC, distinguishing retrograde and prograde Rayleigh waves and determining their ellipticity. In this study, we apply the MUSIQUE algorithm to seismic wavefield recordings of the San Jose Dense Seismic Array. This array has been installed in 1999 in the Evergreen Basin, a sedimentary basin in the Eastern Santa Clara Valley. The analysis includes 22 regional earthquakes with epicentres between 40 and 600 km distant from the array and covering different backazimuths with respect to the array. The azimuthal distribution and the energy partition of the different surface wave types are analysed. Love waves dominate the wavefield for the vast majority of the events. For close events in the north, the wavefield is dominated by the first harmonic mode of Love waves, for farther events, the fundamental mode dominates. The energy distribution is different for earthquakes occurring northwest and southeast of the array. In both cases, the waves crossing the array are mostly arriving from the respective hemicycle. However, scattered Love waves arriving from the south can be seen for all earthquakes. Combining the information of all events, it is possible to retrieve the Love wave dispersion curves of the fundamental and the first harmonic mode. The particle motion of the fundamental mode of Rayleigh waves is retrograde and for the first harmonic mode, it is prograde. For both modes, we can also retrieve dispersion and ellipticity curves. Wave motion simulations for two earthquakes are in good agreement with the real data results and confirm the identification of the wave scattering formations to the south of the array, which generate the scattered Love waves visible for all earthquakes.

Relationships between chromosome structure and chromosomal aberrations

NASA Astrophysics Data System (ADS)

Eidelman, Yuri; Andreev, Sergey

An interphase nucleus of human lymphocyte was simulated by the novel Monte Carlo tech-nique. The main features of interphase chromosome structure and packaging were taken into account: different levels of chromatin organisation; nonrandom localisation of chromosomes within a nucleus; chromosome loci dynamics. All chromosomes in a nucleus were modelled as polymer globules. A dynamic pattern of intra/interchromosomal contacts was simulated. The detailed information about chromosomal contacts, such as distribution of intrachromoso-mal contacts over the length of each chromosome and dependence of contact probability on genomic separation between chromosome loci, were calculated and compared to the new exper-imental data obtained by the Hi-C technique. Types and frequencies of simple and complex radiation-induced chromosomal exchange aberrations (CA) induced by X-rays were predicted with taking formation and decay of chromosomal contacts into account. Distance dependence of exchange formation probability was calculated directly. mFISH data for human lymphocytes were analysed. The calculated frequencies of simple CA agreed with the experimental data. Complex CA were underestimated despite the dense packaging of chromosome territories within a nucleus. Possible influence of chromosome-nucleus structural organisation on the frequency and spectrum of radiation-induced chromosome aberrations is discussed.

Whiskerless Schottky diode

NASA Technical Reports Server (NTRS)

Bishop, William L. (Inventor); Mcleod, Kathleen A. (Inventor); Mattauch, Robert J. (Inventor)

1991-01-01

A Schottky diode for millimeter and submillimeter wave applications is comprised of a multi-layered structure including active layers of gallium arsenide on a semi-insulating gallium arsenide substrate with first and second insulating layers of silicon dioxide on the active layers of gallium arsenide. An ohmic contact pad lays on the silicon dioxide layers. An anode is formed in a window which is in and through the silicon dioxide layers. An elongated contact finger extends from the pad to the anode and a trench, preferably a transverse channel or trench of predetermined width, is formed in the active layers of the diode structure under the contact finger. The channel extends through the active layers to or substantially to the interface of the semi-insulating gallium arsenide substrate and the adjacent gallium arsenide layer which constitutes a buffer layer. Such a structure minimizes the effect of the major source of shunt capacitance by interrupting the current path between the conductive layers beneath the anode contact pad and the ohmic contact. Other embodiments of the diode may substitute various insulating or semi-insulating materials for the silicon dioxide, various semi-conductors for the active layers of gallium arsenide, and other materials for the substrate, which may be insulating or semi-insulating.

Structural basis of sterol recognition and nonvesicular transport by lipid transfer proteins anchored at membrane contact sites.

PubMed

Tong, Junsen; Manik, Mohammad Kawsar; Im, Young Jun

2018-01-30

Membrane contact sites (MCSs) in eukaryotic cells are hotspots for lipid exchange, which is essential for many biological functions, including regulation of membrane properties and protein trafficking. Lipid transfer proteins anchored at membrane contact sites (LAMs) contain sterol-specific lipid transfer domains [StARkin domain (SD)] and multiple targeting modules to specific membrane organelles. Elucidating the structural mechanisms of targeting and ligand recognition by LAMs is important for understanding the interorganelle communication and exchange at MCSs. Here, we determined the crystal structures of the yeast Lam6 pleckstrin homology (PH)-like domain and the SDs of Lam2 and Lam4 in the apo form and in complex with ergosterol. The Lam6 PH-like domain displays a unique PH domain fold with a conserved N-terminal α-helix. The Lam6 PH-like domain lacks the basic surface for phosphoinositide binding, but contains hydrophobic patches on its surface, which are critical for targeting to endoplasmic reticulum (ER)-mitochondrial contacts. Structures of the LAM SDs display a helix-grip fold with a hydrophobic cavity and a flexible Ω1-loop as a lid. Ergosterol is bound to the pocket in a head-down orientation, with its hydrophobic acyl group located in the tunnel entrance. The Ω1-loop in an open conformation is essential for ergosterol binding by direct hydrophobic interaction. Structural comparison suggested that the sterol binding mode of the Lam2 SD2 is likely conserved among the sterol transfer proteins of the StARkin superfamily. Structural models of full-length Lam2 correlated with the sterol transport function at the membrane contact sites.

A 3D contact analysis approach for the visualization of the electrical contact asperities

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

Roussos, Constantinos C.; Swingler, Jonathan

The electrical contact is an important phenomenon that should be given into consideration to achieve better performance and long term reliability for the design of devices. Based upon this importance, the electrical contact interface has been visualized as a “3D Contact Map” and used in order to investigate the contact asperities. The contact asperities describe the structures above and below the contact spots (the contact spots define the 3D contact map) to the two conductors which make the contact system. The contact asperities require the discretization of the 3D microstructures of the contact system into voxels. A contact analysis approachmore » has been developed and introduced in this paper which shows the way to the 3D visualization of the contact asperities of a given contact system. For the discretization of 3D microstructure of contact system into voxels, X-ray Computed Tomography (CT) method is used in order to collect the data of a 250 V, 16 A rated AC single pole rocker switch which is used as a contact system for investigation.« less

A 3D contact analysis approach for the visualization of the electrical contact asperities

PubMed Central

Swingler, Jonathan

2017-01-01

The electrical contact is an important phenomenon that should be given into consideration to achieve better performance and long term reliability for the design of devices. Based upon this importance, the electrical contact interface has been visualized as a ‘‘3D Contact Map’’ and used in order to investigate the contact asperities. The contact asperities describe the structures above and below the contact spots (the contact spots define the 3D contact map) to the two conductors which make the contact system. The contact asperities require the discretization of the 3D microstructures of the contact system into voxels. A contact analysis approach has been developed and introduced in this paper which shows the way to the 3D visualization of the contact asperities of a given contact system. For the discretization of 3D microstructure of contact system into voxels, X-ray Computed Tomography (CT) method is used in order to collect the data of a 250 V, 16 A rated AC single pole rocker switch which is used as a contact system for investigation. PMID:28105383

A 3D contact analysis approach for the visualization of the electrical contact asperities

DOE PAGES

Roussos, Constantinos C.; Swingler, Jonathan

2017-01-11

The electrical contact is an important phenomenon that should be given into consideration to achieve better performance and long term reliability for the design of devices. Based upon this importance, the electrical contact interface has been visualized as a “3D Contact Map” and used in order to investigate the contact asperities. The contact asperities describe the structures above and below the contact spots (the contact spots define the 3D contact map) to the two conductors which make the contact system. The contact asperities require the discretization of the 3D microstructures of the contact system into voxels. A contact analysis approachmore » has been developed and introduced in this paper which shows the way to the 3D visualization of the contact asperities of a given contact system. For the discretization of 3D microstructure of contact system into voxels, X-ray Computed Tomography (CT) method is used in order to collect the data of a 250 V, 16 A rated AC single pole rocker switch which is used as a contact system for investigation.« less

Nature-replicated nano-in-micro structures for triboelectric energy harvesting.

PubMed

Seol, Myeong-Lok; Woo, Jong-Ho; Lee, Dong-Il; Im, Hwon; Hur, Jae; Choi, Yang-Kyu

2014-10-15

Triboelectric nanogenerators with nature-replicated interface structures are presented. Effective contact areas of the triboelectric surfaces are largely enhanced because of the densely packed nano-in-micro hierarchical structures in nature. The enlarged contact area causes stronger triboelectric charge density, which results in output power increment. The interface engineering also allows the improved humidity resistance, which is an important parameter for the stable energy harvesting. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Shoulder pain and time dependent structure in wheelchair propulsion variability

PubMed Central

Jayaraman, Chandrasekaran; Moon, Yaejin; Sosnoff, Jacob J.

2016-01-01

Manual wheelchair propulsion places considerable repetitive mechanical strain on the upper limbs leading to shoulder injury and pain. While recent research indicates that the amount of variability in wheelchair propulsion and shoulder pain may be related. There has been minimal inquiry into the fluctuation over time (i.e. time-dependent structure) in wheelchair propulsion variability. Consequently the purpose of this investigation was to examine if the time-dependent structure in the wheelchair propulsion parameters are related to shoulder pain. 27 experienced wheelchair users manually propelled their own wheelchair fitted with a SMARTWheel on a roller at 1.1 m/s for 3 minutes. Time-dependent structure of cycle-to-cycle fluctuations in contact angle and inter push time interval was quantified using sample entropy (SampEn) and compared between the groups with/without shoulder pain using non-parametric statistics. Overall findings were, (1) variability observed in contact angle fluctuations during manual wheelchair propulsion is structured (Z=3.15;p<0.05), (2) individuals with shoulder pain exhibited higher SampEn magnitude for contact angle during wheelchair propulsion than those without pain (χ2(1)=6.12;p<0.05); and (3) SampEn of contact angle correlated significantly with self-reported shoulder pain (rs (WUSPI) =0.41;rs (VAS)=0.56;p<0.05). It was concluded that the time-dependent structure in wheelchair propulsion may provide novel information for tracking and monitoring shoulder pain. PMID:27134151

Structural evolution of tunneling oxide passivating contact upon thermal annealing.

PubMed

Choi, Sungjin; Min, Kwan Hong; Jeong, Myeong Sang; Lee, Jeong In; Kang, Min Gu; Song, Hee-Eun; Kang, Yoonmook; Lee, Hae-Seok; Kim, Donghwan; Kim, Ka-Hyun

2017-10-16

We report on the structural evolution of tunneling oxide passivating contact (TOPCon) for high efficient solar cells upon thermal annealing. The evolution of doped hydrogenated amorphous silicon (a-Si:H) into polycrystalline-silicon (poly-Si) by thermal annealing was accompanied with significant structural changes. Annealing at 600 °C for one minute introduced an increase in the implied open circuit voltage (V oc ) due to the hydrogen motion, but the implied V oc decreased again at 600 °C for five minutes. At annealing temperature above 800 °C, a-Si:H crystallized and formed poly-Si and thickness of tunneling oxide slightly decreased. The thickness of the interface tunneling oxide gradually decreased and the pinholes are formed through the tunneling oxide at a higher annealing temperature up to 1000 °C, which introduced the deteriorated carrier selectivity of the TOPCon structure. Our results indicate a correlation between the structural evolution of the TOPCon passivating contact and its passivation property at different stages of structural transition from the a-Si:H to the poly-Si as well as changes in the thickness profile of the tunneling oxide upon thermal annealing. Our result suggests that there is an optimum thickness of the tunneling oxide for passivating electron contact, in a range between 1.2 to 1.5 nm.

Characterizing protein conformations by correlation analysis of coarse-grained contact matrices.

PubMed

Lindsay, Richard J; Siess, Jan; Lohry, David P; McGee, Trevor S; Ritchie, Jordan S; Johnson, Quentin R; Shen, Tongye

2018-01-14

We have developed a method to capture the essential conformational dynamics of folded biopolymers using statistical analysis of coarse-grained segment-segment contacts. Previously, the residue-residue contact analysis of simulation trajectories was successfully applied to the detection of conformational switching motions in biomolecular complexes. However, the application to large protein systems (larger than 1000 amino acid residues) is challenging using the description of residue contacts. Also, the residue-based method cannot be used to compare proteins with different sequences. To expand the scope of the method, we have tested several coarse-graining schemes that group a collection of consecutive residues into a segment. The definition of these segments may be derived from structural and sequence information, while the interaction strength of the coarse-grained segment-segment contacts is a function of the residue-residue contacts. We then perform covariance calculations on these coarse-grained contact matrices. We monitored how well the principal components of the contact matrices is preserved using various rendering functions. The new method was demonstrated to assist the reduction of the degrees of freedom for describing the conformation space, and it potentially allows for the analysis of a system that is approximately tenfold larger compared with the corresponding residue contact-based method. This method can also render a family of similar proteins into the same conformational space, and thus can be used to compare the structures of proteins with different sequences.

ZnO Schottky barriers and Ohmic contacts

NASA Astrophysics Data System (ADS)

Brillson, Leonard J.; Lu, Yicheng

2011-06-01

ZnO has emerged as a promising candidate for optoelectronic and microelectronic applications, whose development requires greater understanding and control of their electronic contacts. The rapid pace of ZnO research over the past decade has yielded considerable new information on the nature of ZnO interfaces with metals. Work on ZnO contacts over the past decade has now been carried out on high quality material, nearly free from complicating factors such as impurities, morphological and native point defects. Based on the high quality bulk and thin film crystals now available, ZnO exhibits a range of systematic interface electronic structure that can be understood at the atomic scale. Here we provide a comprehensive review of Schottky barrier and ohmic contacts including work extending over the past half century. For Schottky barriers, these results span the nature of ZnO surface charge transfer, the roles of surface cleaning, crystal quality, chemical interactions, and defect formation. For ohmic contacts, these studies encompass the nature of metal-specific interactions, the role of annealing, multilayered contacts, alloyed contacts, metallization schemes for state-of-the-art contacts, and their application to n-type versus p-type ZnO. Both ZnO Schottky barriers and ohmic contacts show a wide range of phenomena and electronic behavior, which can all be directly tied to chemical and structural changes on an atomic scale.

Characterizing protein conformations by correlation analysis of coarse-grained contact matrices

NASA Astrophysics Data System (ADS)

Lindsay, Richard J.; Siess, Jan; Lohry, David P.; McGee, Trevor S.; Ritchie, Jordan S.; Johnson, Quentin R.; Shen, Tongye

2018-01-01

We have developed a method to capture the essential conformational dynamics of folded biopolymers using statistical analysis of coarse-grained segment-segment contacts. Previously, the residue-residue contact analysis of simulation trajectories was successfully applied to the detection of conformational switching motions in biomolecular complexes. However, the application to large protein systems (larger than 1000 amino acid residues) is challenging using the description of residue contacts. Also, the residue-based method cannot be used to compare proteins with different sequences. To expand the scope of the method, we have tested several coarse-graining schemes that group a collection of consecutive residues into a segment. The definition of these segments may be derived from structural and sequence information, while the interaction strength of the coarse-grained segment-segment contacts is a function of the residue-residue contacts. We then perform covariance calculations on these coarse-grained contact matrices. We monitored how well the principal components of the contact matrices is preserved using various rendering functions. The new method was demonstrated to assist the reduction of the degrees of freedom for describing the conformation space, and it potentially allows for the analysis of a system that is approximately tenfold larger compared with the corresponding residue contact-based method. This method can also render a family of similar proteins into the same conformational space, and thus can be used to compare the structures of proteins with different sequences.

On electrode pinning and charge blocking layers in organic solar cells

NASA Astrophysics Data System (ADS)

Magen, Osnat; Tessler, Nir

2017-05-01

We use device modelling for studying the losses introduced by metallic electrodes in organic solar cells' device structure. We first discuss the inclusion of pinning at the integer charge transfer state in device models, with and without using the image charge potential. In the presence of disorder, the space charge introduced due to the image potential enhances the pinning by more than 0.2 eV. The explicit introduction of the image potential creates band-gap narrowing at the contact, thus affecting both dark leakage current and photo conversion efficiency. We find that there are two regimes in which the contacts may limit the performance. For low (moderate) barriers, the contacts introduce minority carrier recombination at the contacts that adds to the bulk recombination channels. Only for high barriers, the contacts directly limit the open circuit voltage and impose a value that is equal to the contact's energy difference. Examining the device structures with blocking layers, we find that these are mainly useful for the low to moderate contacts' barriers and that for the high barrier case, the enhancement of open circuit voltage may be accompanied by the introduction of serial resistance or S shape.

A new method of making ohmic contacts to p-GaN

NASA Astrophysics Data System (ADS)

Hernández-Gutierrez, C. A.; Kudriavtsev, Yu.; Mota, Esteban; Hernández, A. G.; Escobosa-Echavarría, A.; Sánchez-Resendiz, V.; Casallas-Moreno, Y. L.; López-López, M.

2016-12-01

The structural, chemical, and electrical characteristics of In+ ion-implanted Au/Ni, Au/Nb and Au/W ohmic contacts to p-GaN were investigated. After the preparation of Ni, Nb and W electrode on the surface of p-GaN, the metal/p-GaN contact interface was implanted by 30 keV In+ ions with an implantation dose of 5 × 1015 ions/cm2 at room temperature to form a thin layer of InxGa1-xN located at the metal-semiconductor interface, achieved to reduce the specific contact resistance due to the improving quantum tunneling transport trough to the structure. The characterization was carried out by high-resolution X-ray diffraction, scanning electron microscopy, Raman spectroscopy, and secondary ion mass spectrometry to investigate the formation of ternary alloy, re-crystallization by rapid thermal annealing process after In+ implantation, and the redistribution of elements. The specific contact resistance was extracted by current-voltage (I-V) curves using transmission line method; the lowest specific contact resistance of 2.5 × 10-4 Ωcm2 was achieved for Au/Ni/p-InxGa1-xN/p-GaN ohmic contacts.

Effects of service condition on rolling contact fatigue failure mechanism and lifetime of thermal spray coatings—A review

NASA Astrophysics Data System (ADS)

Cui, Huawei; Cui, Xiufang; Wang, Haidou; Xing, Zhiguo; Jin, Guo

2015-01-01

The service condition determines the Rolling Contact Fatigue(RCF) failure mechanism and lifetime under ascertain material structure integrity parameter of thermal spray coating. The available literature on the RCF testing of thermal spray coatings under various condition services is considerable; it is generally difficult to synthesize all of the result to obtain a comprehensive understanding of the parameters which has a great effect on a thermal spray coating's resistance of RCF. The effects of service conditions(lubrication states, contact stresses, revolve speed, and slip ratio) on the changing of thermal spray coatings' contact fatigue lifetime is introduced systematically. The effects of different service condition on RCF failure mechanism of thermal spray coating from the change of material structure integrity are also summarized. Moreover, In order to enhance the RCF performance, the parameter optimal design formula of service condition and material structure integrity is proposed based on the effect of service condition on thermal spray coatings' contact fatigue lifetime and RCF failure mechanism. The shortage of available literature and the forecast focus in future researches are discussed based on available research. The explicit result of RCF lifetime law and parameter optimal design formula in term of lubrication states, contact stresses, revolve speed, and slip ratio, is significant to improve the RCF performance on the engineering application.

CePt2In7: Shubnikov-de Haas measurements on micro-structured samples under high pressures

NASA Astrophysics Data System (ADS)

Kanter, J.; Moll, P.; Friedemann, S.; Alireza, P.; Sutherland, M.; Goh, S.; Ronning, F.; Bauer, E. D.; Batlogg, B.

2014-03-01

CePt2In7 belongs to the CemMnIn3 m + 2 n heavy fermion family, but compared to the Ce MIn5 members of this group, exhibits a more two dimensional electronic structure. At zero pressure the ground state is antiferromagnetically ordered. Under pressure the antiferromagnetic order is suppressed and a superconducting phase is induced, with a maximum Tc above a quantum critical point around 31 kbar. To investigate the changes in the Fermi Surface and effective electron masses around the quantum critical point, Shubnikov-de Haas measurements were conducted under high pressures in an anvil cell. The samples were micro-structured and contacted using a Focused Ion Beam (FIB). The Focused Ion Beam enables sample contacting and structuring down to a sub-micrometer scale, making the measurement of several samples with complex shapes and multiple contacts on a single anvil feasible.

Quantitative Subsurface Atomic Structure Fingerprint for 2D Materials and Heterostructures by First-Principles-Calibrated Contact-Resonance Atomic Force Microscopy.

PubMed

Tu, Qing; Lange, Björn; Parlak, Zehra; Lopes, Joao Marcelo J; Blum, Volker; Zauscher, Stefan

2016-07-26

Interfaces and subsurface layers are critical for the performance of devices made of 2D materials and heterostructures. Facile, nondestructive, and quantitative ways to characterize the structure of atomically thin, layered materials are thus essential to ensure control of the resultant properties. Here, we show that contact-resonance atomic force microscopy-which is exquisitely sensitive to stiffness changes that arise from even a single atomic layer of a van der Waals-adhered material-is a powerful experimental tool to address this challenge. A combined density functional theory and continuum modeling approach is introduced that yields sub-surface-sensitive, nanomechanical fingerprints associated with specific, well-defined structure models of individual surface domains. Where such models are known, this information can be correlated with experimentally obtained contact-resonance frequency maps to reveal the (sub)surface structure of different domains on the sample.

In Search of Functional Advantages of Knots in Proteins.

PubMed

Dabrowski-Tumanski, Pawel; Stasiak, Andrzej; Sulkowska, Joanna I

2016-01-01

We analysed the structure of deeply knotted proteins representing three unrelated families of knotted proteins. We looked at the correlation between positions of knotted cores in these proteins and such local structural characteristics as the number of intra-chain contacts, structural stability and solvent accessibility. We observed that the knotted cores and especially their borders showed strong enrichment in the number of contacts. These regions showed also increased thermal stability, whereas their solvent accessibility was decreased. Interestingly, the active sites within these knotted proteins preferentially located in the regions with increased number of contacts that also have increased thermal stability and decreased solvent accessibility. Our results suggest that knotting of polypeptide chains provides a favourable environment for the active sites observed in knotted proteins. Some knotted proteins have homologues without a knot. Interestingly, these unknotted homologues form local entanglements that retain structural characteristics of the knotted cores.

Implicit Multibody Penalty-BasedDistributed Contact.

PubMed

Xu, Hongyi; Zhao, Yili; Barbic, Jernej

2014-09-01

The penalty method is a simple and popular approach to resolving contact in computer graphics and robotics. Penalty-based contact, however, suffers from stability problems due to the highly variable and unpredictable net stiffness, and this is particularly pronounced in simulations with time-varying distributed geometrically complex contact. We employ semi-implicit integration, exact analytical contact gradients, symbolic Gaussian elimination and a SVD solver to simulate stable penalty-based frictional contact with large, time-varying contact areas, involving many rigid objects and articulated rigid objects in complex conforming contact and self-contact. We also derive implicit proportional-derivative control forces for real-time control of articulated structures with loops. We present challenging contact scenarios such as screwing a hexbolt into a hole, bowls stacked in perfectly conforming configurations, and manipulating many objects using actively controlled articulated mechanisms in real time.

Predicting helix–helix interactions from residue contacts in membrane proteins

PubMed Central

Lo, Allan; Chiu, Yi-Yuan; Rødland, Einar Andreas; Lyu, Ping-Chiang; Sung, Ting-Yi; Hsu, Wen-Lian

2009-01-01

Motivation: Helix–helix interactions play a critical role in the structure assembly, stability and function of membrane proteins. On the molecular level, the interactions are mediated by one or more residue contacts. Although previous studies focused on helix-packing patterns and sequence motifs, few of them developed methods specifically for contact prediction. Results: We present a new hierarchical framework for contact prediction, with an application in membrane proteins. The hierarchical scheme consists of two levels: in the first level, contact residues are predicted from the sequence and their pairing relationships are further predicted in the second level. Statistical analyses on contact propensities are combined with other sequence and structural information for training the support vector machine classifiers. Evaluated on 52 protein chains using leave-one-out cross validation (LOOCV) and an independent test set of 14 protein chains, the two-level approach consistently improves the conventional direct approach in prediction accuracy, with 80% reduction of input for prediction. Furthermore, the predicted contacts are then used to infer interactions between pairs of helices. When at least three predicted contacts are required for an inferred interaction, the accuracy, sensitivity and specificity are 56%, 40% and 89%, respectively. Our results demonstrate that a hierarchical framework can be applied to eliminate false positives (FP) while reducing computational complexity in predicting contacts. Together with the estimated contact propensities, this method can be used to gain insights into helix-packing in membrane proteins. Availability: http://bio-cluster.iis.sinica.edu.tw/TMhit/ Contact: tsung@iis.sinica.edu.tw Supplementary information:Supplementary data are available at Bioinformatics online. PMID:19244388

Current-voltage characteristics of the semiconductor nanowires under the metal-semiconductor-metal structure

NASA Astrophysics Data System (ADS)

Wen, Jing; Zhang, Xitian; Gao, Hong; Wang, Mingjiao

2013-12-01

We present a method to calculate the I-V characteristics of semiconductor nanowires under the metal-semiconductor-metal (MSM) structure. The carrier concentration as an important parameter is introduced into the expression of the current. The subband structure of the nanowire has been considered for associating it with the position of the Fermi level and circumventing the uncertainties of the contact areas in the contacts. The tunneling and thermionic emission currents in the two Schottky barriers at the two metal-semiconductor contacts are discussed. We find that the two barriers have different influences on the I-V characteristics of the MSM structure, one of which under the forward bias plays the role of threshold voltage if its barrier height is large and the applied voltage is small, and the other under the reverse bias controls the shapes of I-V curves. Our calculations show that the shapes of the I-V curves for the MSM structure are mainly determined by the barrier heights of the contacts and the carrier concentration. The nearly identical I-V characteristics can be obtained by using different values of the barrier heights and carrier concentration, which means that the contact type conversion can be ascribed not only to the changes of the barrier heights but also that of the carrier concentration. We also discuss the mechanisms of the ohmic-Schottky conversions and clarify the ambiguity in the literature. The possibility about the variation of the carrier concentration under the applied fields has been confirmed by experimental results.

Structural, Functional, and Metabolic Brain Markers Differentiate Collision versus Contact and Non-Contact Athletes

PubMed Central

Churchill, Nathan W.; Hutchison, Michael G.; Di Battista, Alex P.; Graham, Simon J.; Schweizer, Tom A.

2017-01-01

There is growing concern about how participation in contact sports affects the brain. Retrospective evidence suggests that contact sports are associated with long-term negative health outcomes. However, much of the research to date has focused on former athletes with significant health problems. Less is known about the health of current athletes in contact and collision sports who have not reported significant medical issues. In this cross-sectional study, advanced magnetic resonance imaging (MRI) was used to evaluate multiple aspects of brain physiology in three groups of athletes participating in non-contact sports (N = 20), contact sports (N = 22), and collision sports (N = 23). Diffusion tensor imaging was used to assess white matter microstructure based on measures of fractional anisotropy (FA) and mean diffusivity (MD); resting-state functional MRI was used to evaluate global functional connectivity; single-voxel spectroscopy was used to compare ratios of neural metabolites, including N-acetyl aspartate (NAA), creatine (Cr), choline, and myo-inositol. Multivariate analysis revealed structural, functional, and metabolic measures that reliably differentiated between sport groups. The collision group had significantly elevated FA and reduced MD in white matter, compared to both contact and non-contact groups. In contrast, the collision group showed significant reductions in functional connectivity and the NAA/Cr metabolite ratio, relative to only the non-contact group, while the contact group overlapped with both non-contact and collision groups. For brain regions associated with contact sport participation, athletes with a history of concussion also showed greater alterations in FA and functional connectivity, indicating a potential cumulative effect of both contact exposure and concussion history on brain physiology. These findings indicate persistent differences in brain physiology for athletes participating in contact and collision sports, which should be considered in future studies of concussion and subconcussive impacts. PMID:28878729

Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications

PubMed Central

Cvicek, Vaclav; Goddard, William A.; Abrol, Ravinder

2016-01-01

The understanding of G-protein coupled receptors (GPCRs) is undergoing a revolution due to increased information about their signaling and the experimental determination of structures for more than 25 receptors. The availability of at least one receptor structure for each of the GPCR classes, well separated in sequence space, enables an integrated superfamily-wide analysis to identify signatures involving the role of conserved residues, conserved contacts, and downstream signaling in the context of receptor structures. In this study, we align the transmembrane (TM) domains of all experimental GPCR structures to maximize the conserved inter-helical contacts. The resulting superfamily-wide GpcR Sequence-Structure (GRoSS) alignment of the TM domains for all human GPCR sequences is sufficient to generate a phylogenetic tree that correctly distinguishes all different GPCR classes, suggesting that the class-level differences in the GPCR superfamily are encoded at least partly in the TM domains. The inter-helical contacts conserved across all GPCR classes describe the evolutionarily conserved GPCR structural fold. The corresponding structural alignment of the inactive and active conformations, available for a few GPCRs, identifies activation hot-spot residues in the TM domains that get rewired upon activation. Many GPCR mutations, known to alter receptor signaling and cause disease, are located at these conserved contact and activation hot-spot residue positions. The GRoSS alignment places the chemosensory receptor subfamilies for bitter taste (TAS2R) and pheromones (Vomeronasal, VN1R) in the rhodopsin family, known to contain the chemosensory olfactory receptor subfamily. The GRoSS alignment also enables the quantification of the structural variability in the TM regions of experimental structures, useful for homology modeling and structure prediction of receptors. Furthermore, this alignment identifies structurally and functionally important residues in all human GPCRs. These residues can be used to make testable hypotheses about the structural basis of receptor function and about the molecular basis of disease-associated single nucleotide polymorphisms. PMID:27028541

Low operation voltage of GaN-based LEDs with Al-doped ZnO upper contact directly on p-type GaN without insert layer

NASA Astrophysics Data System (ADS)

Chen, P. H.; Chen, Yu An; Chang, L. C.; Lai, W. C.; Kuo, Cheng Huang

2015-07-01

Al-doped ZnO (AZO) film was evaporated on double-side polished sapphire, p-GaN layers, n+-InGaN-GaN short-period superlattice (SPS) structures, and GaN-based light-emitting diodes (LEDs) by e-beam. The AZO film on the p-GaN layer after thermal annealing exhibited an extremely high transparency (98% at 450 nm) and a small specific contact resistance of 2.19 × 10-2 Ω cm2, which was almost the same as that of as-deposited AZO on n+-SPS structure. With 20 mA injection current, the forward voltages were 3.30 and 3.27 V, whereas the output powers were 4.32 and 4.07 mW for the LED with AZO on insert n+-SPS upper contact and the LED with AZO on p-GaN upper contact (without insert layer), respectively. The small specific contact resistance and low operation voltage of LED with AZO on p-GaN upper contact was achieved by rapid thermal annealing (RTA) process.

Comparison of various contact algorithms for poroelastic tissues.

PubMed

Galbusera, Fabio; Bashkuev, Maxim; Wilke, Hans-Joachim; Shirazi-Adl, Aboulfazl; Schmidt, Hendrik

2014-01-01

Capabilities of the commercial finite element package ABAQUS in simulating frictionless contact between two saturated porous structures were evaluated and compared with those of an open source code, FEBio. In ABAQUS, both the default contact implementation and another algorithm based on an iterative approach requiring script programming were considered. Test simulations included a patch test of two cylindrical slabs in a gapless contact and confined compression conditions; a confined compression test of a porous cylindrical slab with a spherical porous indenter; and finally two unconfined compression tests of soft tissues mimicking diarthrodial joints. The patch test showed almost identical results for all algorithms. On the contrary, the confined and unconfined compression tests demonstrated large differences related to distinct physical and boundary conditions considered in each of the three contact algorithms investigated in this study. In general, contact with non-uniform gaps between fluid-filled porous structures could be effectively simulated with either ABAQUS or FEBio. The user should be aware of the parameter definitions, assumptions and limitations in each case, and take into consideration the physics and boundary conditions of the problem of interest when searching for the most appropriate model.

Geological Structures Mapping of Bukit Bunuh using 2-D Resistivity Imaging Method

NASA Astrophysics Data System (ADS)

Nur Amalina, M. K. A.; Nordiana, M. M.; Rahman, Nazrin; Saidin, Mokhtar; Masnan, S. S. K.

2018-04-01

The geological area of Bukit Bunuh is very complex due to the meteorite impact that has occurred millions years ago at Lenggong, Perak. The lithology of the study area consists of alluvium, tephra dust, and granitic rock. The geological contact, fault and fracture zone were found at the study area may indicate the geological process that undergoes at a place locally or regionally. These important features have led to the further research on 2-D resistivity imaging method (2-D RIM) to study the geological features. This method can provide the subsurface image that will delineate the geological structures. The surveys include three separate lines of different length which depend on the accessibility. The surveys were done by using Pole-Dipole array and 10 m of electrodes spacing. The objectives of this research are to determine the subsurface geological contact and to determine the existence of fault/fracture zones at the contact zone. The results from 2-D inversion profiles have successfully signified the types of geological structural such as fault, contact, and fractures. Hence, the results from 2-D RIM were used to draw the geological lineaments of Bukit Bunuh. The discontinuity of the lineaments may indicate the structures present.

Metallized compliant 3D microstructures for dry contact thermal conductance enhancement

NASA Astrophysics Data System (ADS)

Cui, Jin; Wang, Jicheng; Zhong, Yang; Pan, Liang; Weibel, Justin A.

2018-05-01

Microstructured three-dimensional (3D) materials can be engineered to enable new capabilities for various engineering applications; however, microfabrication of large 3D structures is typically expensive due to the conventional top-down fabrication scheme. Herein we demonstrated the use of projection micro-stereolithography and electrodeposition as cost-effective and high-throughput methods to fabricate compliant 3D microstructures as a thermal interface material (TIM). This novel TIM structure consists of an array of metallized micro-springs designed to enhance the dry contact thermal conductance between nonflat surfaces under low interface pressures (10s-100s kPa). Mechanical compliance and thermal resistance measurements confirm that this dry contact TIM can achieve conformal contact between mating surfaces with a nonflatness of approximately 5 µm under low interface pressures.

Characterization of 3d Contact Kinematics and Prediction of Resonant Response of Structures Having 3d Frictional Constraint

NASA Astrophysics Data System (ADS)

Yang, B. D.; Menq, C. H.

1998-11-01

A 3D friction contact model has been developed for the prediction of the resonant response of structures having 3D frictional constraint. In the proposed model, a contact plane is defined and its orientation is assumed invariant. Consequently, the relative motion of the two contacting surfaces can be resolved into two components: the in-plane tangential motion on the contact plane and the normal component perpendicular to the plane. The in-plane tangential relative motion is often two-dimensional, and it can induce stick-slip friction. On the other hand, the normal relative motion can cause variation of the contact normal load and, in extreme circumstances, separation of the two contacting surfaces. In this study, the joined effect of the 2D tangential relative motion and the normal relative motion on the contact kinematics of a friction contact is examined and analytical criteria are developed to determine the transitions among stick, slip, and separation, when experiencing variable normal load. With these transition criteria, the induced friction force on the contact plane and the variable normal load perpendicular to the plane can be predicted for any given cyclic relative motions at the contact interface and hysteresis loops can be produced so as to characterize the equivalent damping and stiffness of the friction contact. These non-linear damping and stiffness along with the harmonic balance method are then used to predict the resonance of a frictionally constrained 3-DOF oscillator. The predicted results are compared with those of the time integration method and the damping effect, the resonant frequency shift, and the jump phenomenon are examined.

BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures

NASA Astrophysics Data System (ADS)

Sarti, E.; Zamuner, S.; Cossio, P.; Laio, A.; Seno, F.; Trovato, A.

2013-12-01

In protein structure prediction it is of crucial importance, especially at the refinement stage, to score efficiently large sets of models by selecting the ones that are closest to the native state. We here present a new computational tool, BACHSCORE, that allows its users to rank different structural models of the same protein according to their quality, evaluated by using the BACH++ (Bayesian Analysis Conformation Hunt) scoring function. The original BACH statistical potential was already shown to discriminate with very good reliability the protein native state in large sets of misfolded models of the same protein. BACH++ features a novel upgrade in the solvation potential of the scoring function, now computed by adapting the LCPO (Linear Combination of Pairwise Orbitals) algorithm. This change further enhances the already good performance of the scoring function. BACHSCORE can be accessed directly through the web server: bachserver.pd.infn.it. Catalogue identifier: AEQD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEQD_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License version 3 No. of lines in distributed program, including test data, etc.: 130159 No. of bytes in distributed program, including test data, etc.: 24 687 455 Distribution format: tar.gz Programming language: C++. Computer: Any computer capable of running an executable produced by a g++ compiler (4.6.3 version). Operating system: Linux, Unix OS-es. RAM: 1 073 741 824 bytes Classification: 3. Nature of problem: Evaluate the quality of a protein structural model, taking into account the possible “a priori” knowledge of a reference primary sequence that may be different from the amino-acid sequence of the model; the native protein structure should be recognized as the best model. Solution method: The contact potential scores the occurrence of any given type of residue pair in 5 possible contact classes (α-helical contact, parallel β-sheet contact, anti-parallel β-sheet contact, side-chain contact, no contact). The solvation potential scores the occurrence of any residue type in 2 possible environments: buried and solvent exposed. Residue environment is assigned by adapting the LCPO algorithm. Residues present in the reference primary sequence and not present in the model structure contribute to the model score as solvent exposed and as non contacting all other residues. Restrictions: Input format file according to the Protein Data Bank standard Additional comments: Parameter values used in the scoring function can be found in the file /folder-to-bachscore/BACH/examples/bach_std.par. Running time: Roughly one minute to score one hundred structures on a desktop PC, depending on their size.

Water-mediated contacts in the trp-repressor operator complex recognition process.

PubMed

Wibowo, Fajar R; Rauch, Christine; Trieb, Michael; Wellenzohn, Bernd; Liedl, Klaus R

2004-04-15

Water-mediated contacts are known as an important recognition tool in trp-repressor operator systems. One of these contacts involves two conserved base pairs (G(6).C(-6) and A(5). T(-5)) and three amino acids (Lys 72, Ile 79, and Ala 80). To investigate the nature of these contacts, we analyzed the X-ray structure (PDB code: 1TRO) of the trp-repressor operator complex by means of molecular dynamics simulations. This X-ray structure contains two dimers that exhibit structural differences. From these two different starting structures, two 10 ns molecular dynamics simulations have been performed. Both of our simulations show an increase of water molecules in the major groove at one side of the dimer, while the other side remains unchanged compared to the X-ray structure. Though the maximum residence time of the concerned water molecules decreases with an increase of solvent at the interface, these water molecules continue to play an important role in mediating DNA-protein contacts. This is shown by new stable amino acids-DNA distances and a long water residence time compared to free DNA simulation. To maintain stability of the new contacts, the preferential water binding site on O6(G6) is extended. This extension agrees with mutation experiment data on A5 and G6, which shows different relative affinity due to mutation on these bases [A. Joachimiak, T. E. Haran, P. B. Sigler, EMBO Journal 1994, Vol. 13, No. (2) pp. 367-372]. Due to the rearrangements in the system, the phosphate of the base G6 is able to interconvert to the B(II) substate, which is not observed on the other half side of the complex. The decrease of the number of hydrogen bonds between protein and DNA backbone could be the initial step of the dissociation process of the complex, or in other words an intermediate complex conformation of the association process. Thus, we surmise that these features show the importance of water-mediated contacts in the trp-repressor operator recognition process. Copyright 2004 Wiley Periodicals, Inc.

Apparatus and method for stripping tritium from molten salt

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

Holcomb, David E.; Wilson, Dane F.

A method of stripping tritium from flowing stream of molten salt includes providing a tritium-separating membrane structure having a porous support, a nanoporous structural metal-ion diffusion barrier layer, and a gas-tight, nonporous palladium-bearing separative layer, directing the flowing stream of molten salt into contact with the palladium-bearing layer so that tritium contained within the molten salt is transported through the tritium-separating membrane structure, and contacting a sweep gas with the porous support for collecting the tritium.

Coaxial test fixture

DOEpatents

Praeg, W.F.

1984-03-30

This invention pertains to arrangements for performing electrical tests on contact material samples, and in particular for testing contact material test samples in an evacuated environment under high current loads. Frequently, it is desirable in developing high-current separable contact material, to have at least a preliminary analysis of selected candidate conductor materials. Testing of material samples will hopefully identify materials unsuitable for high current electrical contact without requiring incorporation of the materials into a completed and oftentimes complex structure.

Active alignment/contact verification system

DOEpatents

Greenbaum, William M.

2000-01-01

A system involving an active (i.e. electrical) technique for the verification of: 1) close tolerance mechanical alignment between two component, and 2) electrical contact between mating through an elastomeric interface. For example, the two components may be an alumina carrier and a printed circuit board, two mating parts that are extremely small, high density parts and require alignment within a fraction of a mil, as well as a specified interface point of engagement between the parts. The system comprises pairs of conductive structures defined in the surfaces layers of the alumina carrier and the printed circuit board, for example. The first pair of conductive structures relate to item (1) above and permit alignment verification between mating parts. The second pair of conductive structures relate to item (2) above and permit verification of electrical contact between mating parts.

A maximum entropy model for chromatin structure

NASA Astrophysics Data System (ADS)

Farre, Pau; Emberly, Eldon; Emberly Group Team

The DNA inside the nucleus of eukaryotic cells shows a variety of conserved structures at different length scales These structures are formed by interactions between protein complexes that bind to the DNA and regulate gene activity. Recent high throughput sequencing techniques allow for the measurement both of the genome wide contact map of the folded DNA within a cell (HiC) and where various proteins are bound to the DNA (ChIP-seq). In this talk I will present a maximum-entropy method capable of both predicting HiC contact maps from binding data, and binding data from HiC contact maps. This method results in an intuitive Ising-type model that is able to predict how altering the presence of binding factors can modify chromosome conformation, without the need of polymer simulations.

Redox Regulation of Cell Contacts by Tricellulin and Occludin: Redox-Sensitive Cysteine Sites in Tricellulin Regulate Both Tri- and Bicellular Junctions in Tissue Barriers as Shown in Hypoxia and Ischemia.

PubMed

Cording, Jimmi; Günther, Ramona; Vigolo, Emilia; Tscheik, Christian; Winkler, Lars; Schlattner, Isabella; Lorenz, Dorothea; Haseloff, Reiner F; Schmidt-Ott, Kai M; Wolburg, Hartwig; Blasig, Ingolf E

2015-11-01

Tight junctions (TJs) seal paracellular clefts in epithelia/endothelia and form tissue barriers for proper organ function. TJ-associated marvel proteins (TAMPs; tricellulin, occludin, marvelD3) are thought to be relevant to regulation. Under normal conditions, tricellulin tightens tricellular junctions against macromolecules. Traces of tricellulin occur in bicellular junctions. As pathological disturbances have not been analyzed, the structure and function of human tricellulin, including potentially redox-sensitive Cys sites, were investigated under reducing/oxidizing conditions at 3- and 2-cell contacts. Ischemia, hypoxia, and reductants redistributed tricellulin from 3- to 2-cell contacts. The extracellular loop 2 (ECL2; conserved Cys321, Cys335) trans-oligomerized between three opposing cells. Substitutions of these residues caused bicellular localization. Cys362 in transmembrane domain 4 contributed to bicellular heterophilic cis-interactions along the cell membrane with claudin-1 and marvelD3, while Cys395 in the cytosolic C-terminal tail promoted homophilic tricellullar cis-interactions. The Cys sites included in homo-/heterophilic bi-/tricellular cis-/trans-interactions contributed to cell barrier tightness for small/large molecules. Tricellulin forms TJs via trans- and cis-association in 3-cell contacts, as demonstrated electron and quantified fluorescence microscopically; it tightens 3- and 2-cell contacts. Tricellulin's ECL2 specifically seals 3-cell contacts redox dependently; a structural model is proposed. TAMP ECL2 and claudins' ECL1 share functionally and structurally similar features involved in homo-/heterophilic tightening of cell-cell contacts. Tricellulin is a specific redox sensor and sealing element at 3-cell contacts and may compensate as a redox mediator for occludin loss at 2-cell contacts in vivo and in vitro. Molecular interaction mechanisms were proposed that contribute to tricellulin's function. In conclusion, tricellulin is a junctional redox regulator for ischemia-related alterations.

Lattice Boltzmann simulation of immiscible displacement in the cavity with different channel configurations

NASA Astrophysics Data System (ADS)

Lou, Qin; Zang, Chenqiang; Yang, Mo; Xu, Hongtao

In this work, the immiscible displacement in a cavity with different channel configurations is studied using an improved pseudo-potential lattice Boltzmann equation (LBE) model. This model overcomes the drawback of the dependence of the fluid properties on the grid size, which exists in the original pseudo-potential LBE model. The approach is first validated by the Laplace law. Then, it is employed to study the immiscible displacement process. The influences of different factors, such as the surface wettability, the distance between the gas cavity and liquid cavity and the surface roughness of the channel are investigated. Numerical results show that the displacement efficiency increases and the displacement time decreases with the increase of the surface contact angle. On the other hand, the displacement efficiency increases with increasing distance between the gas cavity and the liquid cavity at first and finally reaches a constant value. As for the surface roughness, two structures (a semicircular cavity and a semicircular bulge) are studied. The comprehensive results show that although the displacement processes for both the structures depend on the surface wettability, they present quite different behaviors. Specially, for the roughness structure constituted by the semicircular cavity, the displacement efficiency decreases and displacement time increases evidently with the size of the semicircular cavity for the small contact angle. The trend slows down as the increase of the contact angle. Once the contact angle exceeds a certain value, the size of the semicircular cavity almost has no influence on the displacement process. While for the roughness structure of a semicircular bulge, the displacement efficiency increases with the size of bulge first and then it decreases for the small contact angle. The displacement efficiency increases first and finally reaches a constant for the large contact angle. The results also show that the displacement time has an extreme value in these cases for the small contact angles.

Accuracy Analysis on Large Blocks of High Resolution Images

NASA Technical Reports Server (NTRS)

Passini, Richardo M.

2007-01-01

Although high altitude frequencies effects are removed at the time of basic image generation, low altitude (Yaw) effects are still present in form of affinity/angular affinity. They are effectively removed by additional parameters. Bundle block adjustment based on properly weighted ephemeris/altitude quaternions (BBABEQ) are not enough to remove the systematic effect. Moreover, due to the narrow FOV of the HRSI, position and altitude are highly correlated making it almost impossible to separate and remove their systematic effects without extending the geometric model (Self-Calib.) The systematic effects gets evident on the increase of accuracy (in terms of RMSE at GCPs) for looser and relaxed ground control at the expense of large and strong block deformation with large residuals at check points. Systematic errors are most freely distributed and their effects propagated all over the block.

QMRPF-UKF Master-Slave Filtering for the Attitude Determination of Micro-Nano Satellites Using Gyro and Magnetometer

PubMed Central

Cui, Peiling; Zhang, Huijuan

2010-01-01

In this paper, the problem of estimating the attitude of a micro-nano satellite, obtaining geomagnetic field measurements via a three-axis magnetometer and obtaining angle rate via gyro, is considered. For this application, a QMRPF-UKF master-slave filtering method is proposed, which uses the QMRPF and UKF algorithms to estimate the rotation quaternion and the gyro bias parameters, respectively. The computational complexicity related to the particle filtering technique is eliminated by introducing a multiresolution approach that permits a significant reduction in the number of particles. This renders QMRPF-UKF master-slave filter computationally efficient and enables its implementation with a remarkably small number of particles. Simulation results by using QMRPF-UKF are given, which demonstrate the validity of the QMRPF-UKF nonlinear filter. PMID:22163448

Manual for a workstation-based generic flight simulation program (LaRCsim), version 1.4

NASA Technical Reports Server (NTRS)

Jackson, E. Bruce

1995-01-01

LaRCsim is a set of ANSI C routines that implement a full set of equations of motion for a rigid-body aircraft in atmospheric and low-earth orbital flight, suitable for pilot-in-the-loop simulations on a workstation-class computer. All six rigid-body degrees of freedom are modeled. The modules provided include calculations of the typical aircraft rigid-body simulation variables, earth geodesy, gravity and atmospheric models, and support several data recording options. Features/limitations of the current version include English units of measure, a 1962 atmosphere model in cubic spline function lookup form, ranging from sea level to 75,000 feet, rotating oblate spheroidal earth model, with aircraft C.G. coordinates in both geocentric and geodetic axes. Angular integrations are done using quaternion state variables Vehicle X-Z symmetry is assumed.

An Extended Kalman Filter-Based Attitude Tracking Algorithm for Star Sensors

PubMed Central

Li, Jian; Wei, Xinguo; Zhang, Guangjun

2017-01-01

Efficiency and reliability are key issues when a star sensor operates in tracking mode. In the case of high attitude dynamics, the performance of existing attitude tracking algorithms degenerates rapidly. In this paper an extended Kalman filtering-based attitude tracking algorithm is presented. The star sensor is modeled as a nonlinear stochastic system with the state estimate providing the three degree-of-freedom attitude quaternion and angular velocity. The star positions in the star image are predicted and measured to estimate the optimal attitude. Furthermore, all the cataloged stars observed in the sensor field-of-view according the predicted image motion are accessed using a catalog partition table to speed up the tracking, called star mapping. Software simulation and night-sky experiment are performed to validate the efficiency and reliability of the proposed method. PMID:28825684

Hydrodynamic interactions for complex-shaped nanocarriers in targeted drug delivery

NASA Astrophysics Data System (ADS)

Wang, Yaohong; Eckmann, David; Radhakrishnan, Ravi; Ayyaswamy, Portonovo

2014-11-01

Nanocarrier motion in a blood vessel involves hydrodynamic and Brownian interactions, which collectively dictate the efficacy in targeted drug delivery. The shape of nanocarriers plays a crucial role in drug delivery. In order to quantify the flow and association properties of elliptical nanoparticles, we have developed an arbitrary Lagrangian-Eulerian framework with capabilities to simulate the hydrodynamic motion of nanoparticles of arbitrary shapes. We introduce the quaternions for rotational motion, and two collision models, namely, (a) an impulse-based model for wall-particle collision, and (b) the short-range repulsive Gay-Berne potential for particle-particle collision. We also study the red blood cell and nanocarrier (such as ellipsoid) interactions. We compare our results with those obtained for a hard sphere model for both RBCs and nanocarriers. Supported by NIH through grant U01-EB016027.

An Extended Kalman Filter-Based Attitude Tracking Algorithm for Star Sensors.

PubMed

Li, Jian; Wei, Xinguo; Zhang, Guangjun

2017-08-21

Efficiency and reliability are key issues when a star sensor operates in tracking mode. In the case of high attitude dynamics, the performance of existing attitude tracking algorithms degenerates rapidly. In this paper an extended Kalman filtering-based attitude tracking algorithm is presented. The star sensor is modeled as a nonlinear stochastic system with the state estimate providing the three degree-of-freedom attitude quaternion and angular velocity. The star positions in the star image are predicted and measured to estimate the optimal attitude. Furthermore, all the cataloged stars observed in the sensor field-of-view according the predicted image motion are accessed using a catalog partition table to speed up the tracking, called star mapping. Software simulation and night-sky experiment are performed to validate the efficiency and reliability of the proposed method.

On spacecraft maneuvers control subject to propellant engine modes.

PubMed

Mazinan, A H

2015-09-01

The paper attempts to address a new control approach to spacecraft maneuvers based upon the modes of propellant engine. A realization of control strategy is now presented in engine on mode (high thrusts as well as further low thrusts), which is related to small angle maneuvers and engine off mode (specified low thrusts), which is also related to large angle maneuvers. There is currently a coarse-fine tuning in engine on mode. It is shown that the process of handling the angular velocities are finalized via rate feedback system in engine modes, where the angular rotations are controlled through quaternion based control (QBCL)strategy in engine off mode and these ones are also controlled through an optimum PID (OPIDH) strategy in engine on mode. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Individual eigenvalue distributions of crossover chiral random matrices and low-energy constants of SU(2) × U(1) lattice gauge theory

NASA Astrophysics Data System (ADS)

Yamamoto, Takuya; Nishigaki, Shinsuke M.

2018-02-01

We compute individual distributions of low-lying eigenvalues of a chiral random matrix ensemble interpolating symplectic and unitary symmetry classes by the Nyström-type method of evaluating the Fredholm Pfaffian and resolvents of the quaternion kernel. The one-parameter family of these distributions is shown to fit excellently the Dirac spectra of SU(2) lattice gauge theory with a constant U(1) background or dynamically fluctuating U(1) gauge field, which weakly breaks the pseudoreality of the unperturbed SU(2) Dirac operator. The observed linear dependence of the crossover parameter with the strength of the U(1) perturbations leads to precise determination of the pseudo-scalar decay constant, as well as the chiral condensate in the effective chiral Lagrangian of the AI class.

Strapdown system performance optimization test evaluations (SPOT), volume 1

NASA Technical Reports Server (NTRS)

Blaha, R. J.; Gilmore, J. P.

1973-01-01

A three axis inertial system was packaged in an Apollo gimbal fixture for fine grain evaluation of strapdown system performance in dynamic environments. These evaluations have provided information to assess the effectiveness of real-time compensation techniques and to study system performance tradeoffs to factors such as quantization and iteration rate. The strapdown performance and tradeoff studies conducted include: (1) Compensation models and techniques for the inertial instrument first-order error terms were developed and compensation effectivity was demonstrated in four basic environments; single and multi-axis slew, and single and multi-axis oscillatory. (2) The theoretical coning bandwidth for the first-order quaternion algorithm expansion was verified. (3) Gyro loop quantization was identified to affect proportionally the system attitude uncertainty. (4) Land navigation evaluations identified the requirement for accurate initialization alignment in order to pursue fine grain navigation evaluations.

Design of a Wireless Sensor Module for Monitoring Conductor Galloping of Transmission Lines.

PubMed

Huang, Xinbo; Zhao, Long; Chen, Guimin

2016-10-09

Conductor galloping may cause flashovers and even tower collapses. The available conductor galloping monitoring methods often employ acceleration sensors to measure the conductor translations without considering the conductor twist. In this paper, a new sensor for monitoring conductor galloping of transmission lines based on an inertial measurement unit and wireless communication is proposed. An inertial measurement unit is used for collecting the accelerations and angular rates of a conductor, which are further transformed into the corresponding geographic coordinate frame using a quaternion transformation to reconstruct the galloping of the conductor. Both the hardware design and the software design are described in details. The corresponding test platforms are established, and the experiments show the feasibility and accuracy of the proposed monitoring sensor. The field operation of the proposed sensor in a conductor spanning 734 m also shows its effectiveness.

Study on stair-step liquid triggered capillary valve for microfluidic systems

NASA Astrophysics Data System (ADS)

Zhang, Lei; Jones, Ben; Majeed, Bivragh; Nishiyama, Yukari; Okumura, Yasuaki; Stakenborg, Tim

2018-06-01

In lab-on-a-chip systems, various microfluidic technologies are being developed to handle fluids at very small quantities, e.g. in the scale of nano- or pico-liter. To achieve autonomous fluid handling at a low cost, passive fluidic control, based on the capillary force between the liquid and microchannel surface, is of the utmost interest in the microsystem. Valves are an essential component for flow control in many microfluidic systems, which enables a sequence of fluidic operations to be performed. In this paper, we present a new passive valve structure for a capillary driven microfluidic device. It is a variation of a capillary trigger valve that is amenable to silicon microfabrication; it will be referred to as a stair-step liquid triggered valve. In this paper, the valve functionality and its dependencies on channel geometry, surface contact angle, and surface roughness are studied both experimentally and with numerical modeling. The effect of the contact angle was explored in experiments on the silicon microfabricated valve structure; a maximal working contact angle, above which the valve fails to be triggered, was demonstrated. The fluidic behavior in the stair-step channel structure was further explored computationally using the finite volume method with the volume-of-fluid approach. Surface roughness due to scalloping of the sidewall during the Bosch etch process was hypothesized to reduce the sidewall contact angle. The reduced contact angle has considerable impacts on the capillary pressure as the liquid vapor interface traverses the stair-step structure of the valve. An improved match in the maximal working contact angle between the experiments and model was obtained when considering this surface roughness effect.

Full three-dimensional investigation of structural contact interactions in turbomachines

NASA Astrophysics Data System (ADS)

Legrand, Mathias; Batailly, Alain; Magnain, Benoît; Cartraud, Patrice; Pierre, Christophe

2012-05-01

Minimizing the operating clearance between rotating bladed-disks and stationary surrounding casings is a primary concern in the design of modern turbomachines since it may advantageously affect their energy efficiency. This technical choice possibly leads to interactions between elastic structural components through direct unilateral contact and dry friction, events which are now accepted as normal operating conditions. Subsequent nonlinear dynamical behaviors of such systems are commonly investigated with simplified academic models mainly due to theoretical difficulties and numerical challenges involved in non-smooth large-scale realistic models. In this context, the present paper introduces an adaptation of a full three-dimensional contact strategy for the prediction of potentially damaging motions that would imply highly demanding computational efforts for the targeted aerospace application in an industrial context. It combines a smoothing procedure including bicubic B-spline patches together with a Lagrange multiplier based contact strategy within an explicit time-marching integration procedure preferred for its versatility. The proposed algorithm is first compared on a benchmark configuration against the more elaborated bi-potential formulation and the commercial software Ansys. The consistency of the provided results and the low energy fluctuations of the introduced approach underlines its reliable numerical properties. A case study featuring blade-tip/casing contact on industrial finite element models is then proposed: it incorporates component mode synthesis and the developed three-dimensional contact algorithm for investigating structural interactions occurring within a turbomachine compressor stage. Both time results and frequency-domain analysis emphasize the practical use of such a numerical tool: detection of severe operating conditions and critical rotational velocities, time-dependent maps of stresses acting within the structures, parameter studies and blade design tests.

Droplet spreading and capillary imbibition in a porous medium: A coupled IB-VOF method based numerical study

NASA Astrophysics Data System (ADS)

Das, Saurish; Patel, H. V.; Milacic, E.; Deen, N. G.; Kuipers, J. A. M.

2018-01-01

We investigate the dynamics of a liquid droplet in contact with a surface of a porous structure by means of the pore-scale level, fully resolved numerical simulations. The geometrical details of the solid porous matrix are resolved by a sharp interface immersed boundary method on a Cartesian computational grid, whereas the motion of the gas-liquid interface is tracked by a mass conservative volume of fluid method. The numerical simulations are performed considering a model porous structure that is approximated by a 3D cubical scaffold with cylindrical struts. The effect of the porosity and the equilibrium contact angle (between the gas-liquid interface and the solid struts) on the spreading behavior, liquid imbibition, and apparent contact angle (between the gas-liquid interface and the porous base) are studied. We also perform several simulations for droplet spreading on a flat surface as a reference case. Gas-liquid systems of the Laplace number, La = 45 and La = 144 × 103 are considered neglecting the effect of gravity. We report the time exponent (n) and pre-factor (C) of the power law describing the evolution of the spreading diameter (S = Ctn) for different equilibrium contact angles and porosity. Our simulations reveal that the apparent or macroscopic contact angle varies linearly with the equilibrium contact angle and increases with porosity. Not necessarily for all the wetting porous structures, a continuous capillary drainage occurs, and we find that the rate of the capillary drainage very much depends on the fluid inertia. At La = 144 × 103, numerically we capture the capillary wave induced pinch-off and daughter droplet ejection. We observe that on the porous structure the pinch-off is weak compared to that on a flat plate.

The effects of posterior cruciate ligament deficiency on posterolateral corner structures under gait- and squat-loading conditions

PubMed Central

Kang, K-T.; Koh, Y-G.; Jung, M.; Nam, J-H.; Son, J.; Lee, Y.H.

2017-01-01

Objectives The aim of the current study was to analyse the effects of posterior cruciate ligament (PCL) deficiency on forces of the posterolateral corner structure and on tibiofemoral (TF) and patellofemoral (PF) contact force under dynamic-loading conditions. Methods A subject-specific knee model was validated using a passive flexion experiment, electromyography data, muscle activation, and previous experimental studies. The simulation was performed on the musculoskeletal models with and without PCL deficiency using a novel force-dependent kinematics method under gait- and squat-loading conditions, followed by probabilistic analysis for material uncertain to be considered. Results Comparison of predicted passive flexion, posterior drawer kinematics and muscle activation with experimental measurements showed good agreement. Forces of the posterolateral corner structure, and TF and PF contact forces increased with PCL deficiency under gait- and squat-loading conditions. The rate of increase in PF contact force was the greatest during the squat-loading condition. The TF contact forces increased on both medial and lateral compartments during gait-loading conditions. However, during the squat-loading condition, the medial TF contact force tended to increase, while the lateral TF contact forces decreased. The posterolateral corner structure, which showed the greatest increase in force with deficiency of PCL under both gait- and squat-loading conditions, was the popliteus tendon (PT). Conclusion PCL deficiency is a factor affecting the variability of force on the PT in dynamic-loading conditions, and it could lead to degeneration of the PF joint. Cite this article: K-T. Kang, Y-G. Koh, M. Jung, J-H. Nam, J. Son, Y.H. Lee, S-J. Kim, S-H. Kim. The effects of posterior cruciate ligament deficiency on posterolateral corner structures under gait- and squat-loading conditions: A computational knee model. Bone Joint Res 2017;6:31–42. DOI: 10.1302/2046-3758.61.BJR-2016-0184.R1. PMID:28077395

Shear test on viscoelastic granular material using Contact Dynamics simulations

NASA Astrophysics Data System (ADS)

Quezada, Juan Carlos; Sagnol, Loba; Chazallon, Cyrille

2017-06-01

By means of 3D contact dynamic simulations, the behavior of a viscoelastic granular material under shear loading is investigated. A viscoelastic fluid phase surrounding the solid particles is simulated by a contact model acting between them. This contact law was implemented in the LMGC90 software, based on the Burgers model. This model is able to simulate also the effect of creep relaxation. To validate the proposed contact model, several direct shear tests were performed, experimentally and numerically using the Leutner device. The numerical samples were created using spheres with two particle size distribution, each one identified for two layers from a road structure. Our results show a reasonable agreement between experimental and numerical data regarding the strain-stress evolution curves and the stress levels measured at failure. The proposed model can be used to simulate the mechanical behavior of multi-layer road structure and to study the influence of traffic on road deformation, cracking and particles pull-out induced by traffic loading.

Contact toxicities of anuran skin alkaloids against the fire ant ( Solenopsis invicta)

NASA Astrophysics Data System (ADS)

Weldon, Paul J.; Cardoza, Yasmin J.; Vander Meer, Robert K.; Hoffmann, W. Clint; Daly, John W.; Spande, Thomas F.

2013-02-01

Nearly 500 alkaloids, representing over 20 structural classes, have been identified from the skin of neotropical poison frogs (Dendrobatidae). These cutaneous compounds, which are derived from arthropod prey of the frogs, generally are believed to deter predators. We tested the red imported fire ant ( Solenopsis invicta) for toxicosis following contact with 20 alkaloids (12 structural classes) identified from dendrobatids or other anurans. Individual ants forced to contact the dried residues of 13 compounds exhibited convulsions and/or reduced ambulation. We estimated the cutaneous concentrations of several compounds based on their reported recoveries from skin extracts of free-ranging frogs and our measurements of the skin surface areas of museum specimens. Pumiliotoxin 251D exhibited contact toxicity below its estimated cutaneous concentration in the Ecuadorian frog, Epipedobates anthonyi, an observation consistent with the hypothesized role of this compound in anuran chemical defense. Our results and those of a previous study of mosquitoes indicate that some anuran skin compounds function defensively as contact toxins against arthropods, permeating their exoskeleton.

Optical critical dimension metrology for directed self-assembly assisted contact hole shrink

NASA Astrophysics Data System (ADS)

Dixit, Dhairya; Green, Avery; Hosler, Erik R.; Kamineni, Vimal; Preil, Moshe E.; Keller, Nick; Race, Joseph; Chun, Jun Sung; O'Sullivan, Michael; Khare, Prasanna; Montgomery, Warren; Diebold, Alain C.

2016-01-01

Directed self-assembly (DSA) is a potential patterning solution for future generations of integrated circuits. Its main advantages are high pattern resolution (˜10 nm), high throughput, no requirement of high-resolution mask, and compatibility with standard fab-equipment and processes. The application of Mueller matrix (MM) spectroscopic ellipsometry-based scatterometry to optically characterize DSA patterned contact hole structures fabricated with phase-separated polystyrene-b-polymethylmethacrylate (PS-b-PMMA) is described. A regression-based approach is used to calculate the guide critical dimension (CD), DSA CD, height of the PS column, thicknesses of underlying layers, and contact edge roughness of the post PMMA etch DSA contact hole sample. Scanning electron microscopy and imaging analysis is conducted as a comparative metric for scatterometry. In addition, optical model-based simulations are used to investigate MM elements' sensitivity to various DSA-based contact hole structures, predict sensitivity to dimensional changes, and its limits to characterize DSA-induced defects, such as hole placement inaccuracy, missing vias, and profile inaccuracy of the PMMA cylinder.

Wetting and interfacial properties of water nanodroplets in contact with graphene and monolayer boron-nitride sheets.

PubMed

Li, Hui; Zeng, Xiao Cheng

2012-03-27

Born-Oppenheim quantum molecular dynamics (QMD) simulations are performed to investigate wetting, diffusive, and interfacial properties of water nanodroplets in contact with a graphene sheet or a monolayer boron-nitride (BN) sheet. Contact angles of the water nanodroplets on the two sheets are computed for the first time using QMD simulations. Structural and dynamic properties of the water droplets near the graphene or BN sheet are also studied to gain insights into the interfacial interaction between the water droplet and the substrate. QMD simulation results are compared with those from previous classic MD simulations and with the experimental measurements. The QMD simulations show that the graphene sheet yields a contact angle of 87°, while the monolayer BN sheet gives rise to a contact angle of 86°. Hence, like graphene, the monolayer BN sheet is also weakly hydrophobic, even though the BN bonds entail a large local dipole moment. QMD simulations also show that the interfacial water can induce net positive charges on the contacting surface of the graphene and monolayer BN sheets, and such charge induction may affect electronic structure of the contacting graphene in view that graphene is a semimetal. Contact angles of nanodroplets of water in a supercooled state on the graphene are also computed. It is found that under the supercooled condition, water nanodroplets exhibit an appreciably larger contact angle than under the ambient condition. © 2012 American Chemical Society

Convergence and divergence in leisure style among Whites and African Americans: toward an interracial contact hypothesis

Treesearch

Floyd F. Myron; Kimberly J. Shinew

1999-01-01

Drawing upon structural theory and social group perspectives, this study examined two propositions developed to explain the relationship between interracial contact and leisure preferences among African Americans and Whites. The first proposition stated that as interracial contact increases, the greater the probability of observing similarity in the leisure...

A Screening Tool to Measure Eye Contact Avoidance in Boys with Fragile X Syndrome

ERIC Educational Resources Information Center

Hall, Scott S.; Venema, Kaitlin M.

2017-01-01

We examined the reliability, validity and factor structure of the Eye Contact Avoidance Scale (ECAS), a new 15-item screening tool designed to measure eye contact avoidance in individuals with fragile X syndrome (FXS). Internal consistency of the scale was acceptable to excellent and convergent validity with the Social Responsiveness Scale, Second…

Three-gradient regular solution model for simple liquids wetting complex surface topologies

PubMed Central

Akerboom, Sabine; Kamperman, Marleen

2016-01-01

Summary We use regular solution theory and implement a three-gradient model for a liquid/vapour system in contact with a complex surface topology to study the shape of a liquid drop in advancing and receding wetting scenarios. More specifically, we study droplets on an inverse opal: spherical cavities in a hexagonal pattern. In line with experimental data, we find that the surface may switch from hydrophilic (contact angle on a smooth surface θY < 90°) to hydrophobic (effective advancing contact angle θ > 90°). Both the Wenzel wetting state, that is cavities under the liquid are filled, as well as the Cassie–Baxter wetting state, that is air entrapment in the cavities under the liquid, were observed using our approach, without a discontinuity in the water front shape or in the water advancing contact angle θ. Therefore, air entrapment cannot be the main reason why the contact angle θ for an advancing water front varies. Rather, the contact line is pinned and curved due to the surface structures, inducing curvature perpendicular to the plane in which the contact angle θ is observed, and the contact line does not move in a continuous way, but via depinning transitions. The pinning is not limited to kinks in the surface with angles θkink smaller than the angle θY. Even for θkink > θY, contact line pinning is found. Therefore, the full 3D-structure of the inverse opal, rather than a simple parameter such as the wetting state or θkink, determines the final observed contact angle. PMID:27826512

Shoulder pain and time dependent structure in wheelchair propulsion variability.

PubMed

Jayaraman, Chandrasekaran; Moon, Yaejin; Sosnoff, Jacob J

2016-07-01

Manual wheelchair propulsion places considerable repetitive mechanical strain on the upper limbs leading to shoulder injury and pain. While recent research indicates that the amount of variability in wheelchair propulsion and shoulder pain may be related. There has been minimal inquiry into the fluctuation over time (i.e. time-dependent structure) in wheelchair propulsion variability. Consequently the purpose of this investigation was to examine if the time-dependent structure in the wheelchair propulsion parameters are related to shoulder pain. 27 experienced wheelchair users manually propelled their own wheelchair fitted with a SMARTWheel on a roller at 1.1m/s for 3min. Time-dependent structure of cycle-to-cycle fluctuations in contact angle and inter push time interval was quantified using sample entropy (SampEn) and compared between the groups with/without shoulder pain using non-parametric statistics. Overall findings were, (1) variability observed in contact angle fluctuations during manual wheelchair propulsion is structured (Z=3.15;p<0.05), (2) individuals with shoulder pain exhibited higher SampEn magnitude for contact angle during wheelchair propulsion than those without pain (χ(2)(1)=6.12;p<0.05); and (3) SampEn of contact angle correlated significantly with self-reported shoulder pain (rs (WUSPI) =0.41;rs (VAS)=0.56;p<0.05). It was concluded that the time-dependent structure in wheelchair propulsion may provide novel information for tracking and monitoring shoulder pain. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Protein Structure Determination using Metagenome sequence data

PubMed Central

Ovchinnikov, Sergey; Park, Hahnbeom; Varghese, Neha; Huang, Po-Ssu; Pavlopoulos, Georgios A.; Kim, David E.; Kamisetty, Hetunandan; Kyrpides, Nikos C.; Baker, David

2017-01-01

Despite decades of work by structural biologists, there are still ~5200 protein families with unknown structure outside the range of comparative modeling. We show that Rosetta structure prediction guided by residue-residue contacts inferred from evolutionary information can accurately model proteins that belong to large families, and that metagenome sequence data more than triples the number of protein families with sufficient sequences for accurate modeling. We then integrate metagenome data, contact based structure matching and Rosetta structure calculations to generate models for 614 protein families with currently unknown structures; 206 are membrane proteins and 137 have folds not represented in the PDB. This approach provides the representative models for large protein families originally envisioned as the goal of the protein structure initiative at a fraction of the cost. PMID:28104891

New LMI based gain-scheduling control for recovering contact-free operation of a magnetically levitated rotor

NASA Astrophysics Data System (ADS)

Wang, M.; Cole, M. O. T.; Keogh, P. S.

2017-11-01

A new approach for the recovery of contact-free levitation of a rotor supported by active magnetic bearings (AMB) is assessed through control strategy design, system modelling and experimental verification. The rotor is considered to make contact with a touchdown bearing (TDB), which may lead to entrapment in a bi-stable nonlinear response. A linear matrix inequality (LMI) based gain-scheduling H∞ control technique is introduced to recover the rotor to a contact-free state. The controller formulation involves a time-varying effective stiffness parameter, which can be evaluated in terms of forces transmitted through the TDB. Rather than measuring these forces directly, an observer is introduced with a model of the base structure to transform base acceleration signals using polytopic coordinates for controller adjustment. Force transmission to the supporting base structure will occur either through an AMB alone without contact, or through the AMB and TDB with contact and this must be accounted for in the observer design. The controller is verified experimentally in terms of (a) non-contact robust stability and vibration suppression performance; (b) control action for contact-free recovery at typical running speeds with various unbalance and TDB misalignment conditions; and (c) coast-down experimental tests. The results demonstrate the effectiveness of the AMB control action whenever it operates within its dynamic load capacity.

Contact-coupled impact of slender rods: analysis and experimental validation

PubMed Central

Tibbitts, Ira B.; Kakarla, Deepika; Siskey, Stephanie; Ochoa, Jorge A.; Ong, Kevin L.; Brannon, Rebecca M.

2013-01-01

To validate models of contact mechanics in low speed structural impact, slender rods were impacted in a drop tower, and measurements of the contact and vibration were compared to analytical and finite element (FE) models. The contact area was recorded using a novel thin-film transfer technique, and the contact duration was measured using electrical continuity. Strain gages recorded the vibratory strain in one rod, and a laser Doppler vibrometer measured speed. The experiment was modeled analytically on a one-dimensional spatial domain using a quasi-static Hertzian contact law and a system of delay differential equations. The three-dimensional FE model used hexahedral elements, a penalty contact algorithm, and explicit time integration. A small submodel taken from the initial global FE model economically refined the analysis in the small contact region. Measured contact areas were within 6% of both models’ predictions, peak speeds within 2%, cyclic strains within 12 με (RMS value), and contact durations within 2 μs. The global FE model and the measurements revealed small disturbances, not predicted by the analytical model, believed to be caused by interactions of the non-planar stress wavefront with the rod’s ends. The accuracy of the predictions for this simple test, as well as the versatility of the diagnostic tools, validates the theoretical and computational models, corroborates instrument calibration, and establishes confidence that the same methods may be used in experimental and computational study of contact mechanics during impact of more complicated structures. Recommendations are made for applying the methods to a particular biomechanical problem: the edge-loading of a loose prosthetic hip joint which can lead to premature wear and prosthesis failure. PMID:24729630

Categorization of fragrance contact allergens for prioritization of preventive measures: clinical and experimental data and consideration of structure-activity relationships.

PubMed

Uter, Wolfgang; Johansen, Jeanne D; Börje, Anna; Karlberg, Ann-Therese; Lidén, Carola; Rastogi, Suresh; Roberts, David; White, Ian R

2013-10-01

Contact allergy to fragrances is still relatively common, affecting ∼ 16% of patients patch tested for suspected allergic contact dermatitis, considering all current screening allergens. The objective of the review is to systematically retrieve, evaluate and classify evidence on contact allergy to fragrances, in order to arrive at recommendations for targeting of primary and secondary prevention. Besides published evidence on contact allergy in humans, animal data (local lymph node assay), annual use volumes and structure-activity relationships (SARs) were considered for an algorithmic categorization of substances as contact allergens. A total of 54 individual chemicals and 28 natural extracts (essential oils) can be categorized as established contact allergens in humans, including all 26 substances previously identified as contact allergens (SCCNFP/0017/98). Twelve of the 54 individual chemicals are considered to be of special concern, owing to the high absolute number of reported cases of contact allergy (>100). Additionally, 18 single substances and one natural mixture are categorized as established contact allergens in animals. SARs, combined with limited human evidence, contributed to the categorization of a further 26 substances as likely contact allergens. In conclusion, the presence of 127 single fragrance substances and natural mixtures should, owing to their skin sensitizing properties, be disclosed, for example on the label. As an additional preventive measure, the maximum use concentration of 11 substances of special concern should be limited to 100 ppm. The substance hydroxyisohexyl 3-cyclohexene carboxaldehyde and the two ingredients chloroatranol and atranol in the natural extracts Evernia prunastri and Evernia furfuracea should not be present in cosmetic products. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Accurate De Novo Prediction of Protein Contact Map by Ultra-Deep Learning Model.

PubMed

Wang, Sheng; Sun, Siqi; Li, Zhen; Zhang, Renyu; Xu, Jinbo

2017-01-01

Protein contacts contain key information for the understanding of protein structure and function and thus, contact prediction from sequence is an important problem. Recently exciting progress has been made on this problem, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction. This paper presents a new deep learning method that predicts contacts by integrating both evolutionary coupling (EC) and sequence conservation information through an ultra-deep neural network formed by two deep residual neural networks. The first residual network conducts a series of 1-dimensional convolutional transformation of sequential features; the second residual network conducts a series of 2-dimensional convolutional transformation of pairwise information including output of the first residual network, EC information and pairwise potential. By using very deep residual networks, we can accurately model contact occurrence patterns and complex sequence-structure relationship and thus, obtain higher-quality contact prediction regardless of how many sequence homologs are available for proteins in question. Our method greatly outperforms existing methods and leads to much more accurate contact-assisted folding. Tested on 105 CASP11 targets, 76 past CAMEO hard targets, and 398 membrane proteins, the average top L long-range prediction accuracy obtained by our method, one representative EC method CCMpred and the CASP11 winner MetaPSICOV is 0.47, 0.21 and 0.30, respectively; the average top L/10 long-range accuracy of our method, CCMpred and MetaPSICOV is 0.77, 0.47 and 0.59, respectively. Ab initio folding using our predicted contacts as restraints but without any force fields can yield correct folds (i.e., TMscore>0.6) for 203 of the 579 test proteins, while that using MetaPSICOV- and CCMpred-predicted contacts can do so for only 79 and 62 of them, respectively. Our contact-assisted models also have much better quality than template-based models especially for membrane proteins. The 3D models built from our contact prediction have TMscore>0.5 for 208 of the 398 membrane proteins, while those from homology modeling have TMscore>0.5 for only 10 of them. Further, even if trained mostly by soluble proteins, our deep learning method works very well on membrane proteins. In the recent blind CAMEO benchmark, our fully-automated web server implementing this method successfully folded 6 targets with a new fold and only 0.3L-2.3L effective sequence homologs, including one β protein of 182 residues, one α+β protein of 125 residues, one α protein of 140 residues, one α protein of 217 residues, one α/β of 260 residues and one α protein of 462 residues. Our method also achieved the highest F1 score on free-modeling targets in the latest CASP (Critical Assessment of Structure Prediction), although it was not fully implemented back then. http://raptorx.uchicago.edu/ContactMap/.

Accurate De Novo Prediction of Protein Contact Map by Ultra-Deep Learning Model

PubMed Central

Li, Zhen; Zhang, Renyu

2017-01-01

Motivation Protein contacts contain key information for the understanding of protein structure and function and thus, contact prediction from sequence is an important problem. Recently exciting progress has been made on this problem, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction. Method This paper presents a new deep learning method that predicts contacts by integrating both evolutionary coupling (EC) and sequence conservation information through an ultra-deep neural network formed by two deep residual neural networks. The first residual network conducts a series of 1-dimensional convolutional transformation of sequential features; the second residual network conducts a series of 2-dimensional convolutional transformation of pairwise information including output of the first residual network, EC information and pairwise potential. By using very deep residual networks, we can accurately model contact occurrence patterns and complex sequence-structure relationship and thus, obtain higher-quality contact prediction regardless of how many sequence homologs are available for proteins in question. Results Our method greatly outperforms existing methods and leads to much more accurate contact-assisted folding. Tested on 105 CASP11 targets, 76 past CAMEO hard targets, and 398 membrane proteins, the average top L long-range prediction accuracy obtained by our method, one representative EC method CCMpred and the CASP11 winner MetaPSICOV is 0.47, 0.21 and 0.30, respectively; the average top L/10 long-range accuracy of our method, CCMpred and MetaPSICOV is 0.77, 0.47 and 0.59, respectively. Ab initio folding using our predicted contacts as restraints but without any force fields can yield correct folds (i.e., TMscore>0.6) for 203 of the 579 test proteins, while that using MetaPSICOV- and CCMpred-predicted contacts can do so for only 79 and 62 of them, respectively. Our contact-assisted models also have much better quality than template-based models especially for membrane proteins. The 3D models built from our contact prediction have TMscore>0.5 for 208 of the 398 membrane proteins, while those from homology modeling have TMscore>0.5 for only 10 of them. Further, even if trained mostly by soluble proteins, our deep learning method works very well on membrane proteins. In the recent blind CAMEO benchmark, our fully-automated web server implementing this method successfully folded 6 targets with a new fold and only 0.3L-2.3L effective sequence homologs, including one β protein of 182 residues, one α+β protein of 125 residues, one α protein of 140 residues, one α protein of 217 residues, one α/β of 260 residues and one α protein of 462 residues. Our method also achieved the highest F1 score on free-modeling targets in the latest CASP (Critical Assessment of Structure Prediction), although it was not fully implemented back then. Availability http://raptorx.uchicago.edu/ContactMap/ PMID:28056090

Water adsorption on the P-rich GaP(100) surface: optical spectroscopy from first principles

NASA Astrophysics Data System (ADS)

May, Matthias M.; Sprik, Michiel

2018-03-01

The contact of water with semiconductors typically changes its surface electronic structure by oxidation or corrosion processes. A detailed knowledge—or even control of—the surface structure is highly desirable, as it impacts the performance of opto-electronic devices from gas-sensing to energy conversion applications. It is also a prerequisite for density functional theory-based modelling of the electronic structure in contact with an electrolyte. The P-rich GaP(100) surface is extraordinary with respect to its contact with gas-phase water, as it undergoes a surface reordering, but does not oxidise. We investigate the underlying changes of the surface in contact with water by means of theoretically derived reflection anisotropy spectroscopy (RAS). A comparison of our results with experiment reveals that a water-induced hydrogen-rich phase on the surface is compatible with the boundary conditions from experiment, reproducing the optical spectra. We discuss potential reaction paths that comprise a water-enhanced hydrogen mobility on the surface. Our results also show that computational RAS—required for the interpretation of experimental signatures—is feasible for GaP in contact with water double layers. Here, RAS is sensitive to surface electric fields, which are an important ingredient of the Helmholtz-layer. This paves the way for future investigations of RAS at the semiconductor–electrolyte interface.

Surface chemical structure for soft contact lenses as a function of polymer processing.

PubMed

Grobe, G L; Valint, P L; Ammon, D M

1996-09-01

The surface chemistry and topography of cast-molded Etafilcon-A and doubled-sided lathed Etafilcon-A soft contact lenses were determined to be significantly different. The variations in surface chemical and morphologic structure between the two lenses were the result of contact lens manufacturing methods. The surface of the cast-molded Etafilcon-A had a consistently less rough surface compared to the doubled sided lathed Etafilcon-A as determined by atomic force microscopy. The surface of the doubled sided lathed Etafilcon-A contained primarily silicone and wax contamination in addition to minute amounts of HEMA. The cast-molded Etafilcon-A had an elemental and chemical content which was consistent with the polymer stoichiometry. Contact angle wettability profiles revealed inherent wettability differences between the two lenses types. The cast-molded Etafilcon-A had an inherently greater water wettability, polarity, and critical surface tension. This means that these two lenses cannot be compared as similar or identical lens materials in terms of surface composition. The manufacturing method used to produce a soft contact lens directly determines the surface elemental and chemical structure as well as the morphology of the finished lens material. These results suggest possible differences in the clinical comfort, spoilage, and lubricity felt during patient wear.

Electrical and structural properties of (Pd/Au) Schottky contact to as grown and rapid thermally annealed GaN grown by MBE

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

Nirwal, Varun Singh, E-mail: varun.nirwal30@gmail.com; Singh, Joginder; Gautam, Khyati

2016-05-06

We studied effect of thermally annealed GaN surface on the electrical and structural properties of (Pd/Au) Schottky contact to Ga-polar GaN grown by molecular beam epitaxy on Si substrate. Current voltage (I-V) measurement was used to study electrical properties while X-ray diffraction (XRD) measurement was used to study structural properties. The Schottky barrier height calculated using I-V characteristics was 0.59 eV for (Pd/Au) Schottky contact on as grown GaN, which increased to 0.73 eV for the Schottky contact fabricated on 700 °C annealed GaN film. The reverse bias leakage current at -1 V was also significantly reduced from 6.42×10{sup −5} Amore » to 7.31×10{sup −7} A after annealing. The value of series resistance (Rs) was extracted from Cheung method and the value of R{sub s} decreased from 373 Ω to 172 Ω after annealing. XRD results revealed the formation of gallide phases at the interface of (Pd/Au) and GaN for annealed sample, which could be the reason for improvement in the electrical properties of Schottky contact after annealing.« less

STING Millennium: a web-based suite of programs for comprehensive and simultaneous analysis of protein structure and sequence

PubMed Central

Neshich, Goran; Togawa, Roberto C.; Mancini, Adauto L.; Kuser, Paula R.; Yamagishi, Michel E. B.; Pappas, Georgios; Torres, Wellington V.; Campos, Tharsis Fonseca e; Ferreira, Leonardo L.; Luna, Fabio M.; Oliveira, Adilton G.; Miura, Ronald T.; Inoue, Marcus K.; Horita, Luiz G.; de Souza, Dimas F.; Dominiquini, Fabiana; Álvaro, Alexandre; Lima, Cleber S.; Ogawa, Fabio O.; Gomes, Gabriel B.; Palandrani, Juliana F.; dos Santos, Gabriela F.; de Freitas, Esther M.; Mattiuz, Amanda R.; Costa, Ivan C.; de Almeida, Celso L.; Souza, Savio; Baudet, Christian; Higa, Roberto H.

2003-01-01

STING Millennium Suite (SMS) is a new web-based suite of programs and databases providing visualization and a complex analysis of molecular sequence and structure for the data deposited at the Protein Data Bank (PDB). SMS operates with a collection of both publicly available data (PDB, HSSP, Prosite) and its own data (contacts, interface contacts, surface accessibility). Biologists find SMS useful because it provides a variety of algorithms and validated data, wrapped-up in a user friendly web interface. Using SMS it is now possible to analyze sequence to structure relationships, the quality of the structure, nature and volume of atomic contacts of intra and inter chain type, relative conservation of amino acids at the specific sequence position based on multiple sequence alignment, indications of folding essential residue (FER) based on the relationship of the residue conservation to the intra-chain contacts and Cα–Cα and Cβ–Cβ distance geometry. Specific emphasis in SMS is given to interface forming residues (IFR)—amino acids that define the interactive portion of the protein surfaces. SMS may simultaneously display and analyze previously superimposed structures. PDB updates trigger SMS updates in a synchronized fashion. SMS is freely accessible for public data at http://www.cbi.cnptia.embrapa.br, http://mirrors.rcsb.org/SMS and http://trantor.bioc.columbia.edu/SMS. PMID:12824333

Theoretical investigations of two adamantane derivatives: A combined X-ray, DFT, QTAIM analysis and molecular docking

NASA Astrophysics Data System (ADS)

Al-Wahaibi, Lamya H.; Sujay, Subramaniam; Muthu, Gangadharan Ganesh; El-Emam, Ali A.; Venkataramanan, Natarajan S.; Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; Percino, Judith; Thamotharan, Subbiah

2018-05-01

A detailed structural analysis of two adamantane derivatives namely, ethyl 2-[(Z)-1-(adamantan-1-yl)-3-(phenyl)isothioureido]acetate I and ethyl 2-[(Z)-1-(adamantan-1-yl)-3-(4-fluorophenyl)isothioureido]acetate II is carried out to understand the effect of fluorine substitution. The introduction of fluorine atom alters the crystal packing and is completely different from its parent compound. The fluorine substitution drastically reduced the intermolecular H⋯H contacts and this reduction is compensated by intermolecular F⋯H and F⋯F contacts. The relative contributions of various intermolecular contacts present in these structures were quantified using Hirshfeld surface analysis. Energetically significant molecular pairs were identified from the crystal structures of these compounds using PIXEL method. The structures of I and II are optimized in gas and solvent phases using the B3LYP-D3/6-311++G(d,p) level of theory. The quantum theory of atoms-in-molecules (QTAIM) analysis was carried out to estimate the strengths of various intermolecular contacts present in these molecular dimers. The results suggest that the Hsbnd H bonding take part in the stabilization of crystal structures. The experimental and theoretical UV-Vis results show the variations in HOMO and LUMO energy levels. In silico docking analysis indicates that both compounds I and II may exhibit inhibitory activity against 11-β-hydroxysteroid dehydrogenase 1 (11-β-HSD1).

ClaRNA: a classifier of contacts in RNA 3D structures based on a comparative analysis of various classification schemes

PubMed Central

Waleń, Tomasz; Chojnowski, Grzegorz; Gierski, Przemysław; Bujnicki, Janusz M.

2014-01-01

The understanding of folding and function of RNA molecules depends on the identification and classification of interactions between ribonucleotide residues. We developed a new method named ClaRNA for computational classification of contacts in RNA 3D structures. Unique features of the program are the ability to identify imperfect contacts and to process coarse-grained models. Each doublet of spatially close ribonucleotide residues in a query structure is compared to clusters of reference doublets obtained by analysis of a large number of experimentally determined RNA structures, and assigned a score that describes its similarity to one or more known types of contacts, including pairing, stacking, base–phosphate and base–ribose interactions. The accuracy of ClaRNA is 0.997 for canonical base pairs, 0.983 for non-canonical pairs and 0.961 for stacking interactions. The generalized squared correlation coefficient (GC2) for ClaRNA is 0.969 for canonical base pairs, 0.638 for non-canonical pairs and 0.824 for stacking interactions. The classifier can be easily extended to include new types of spatial relationships between pairs or larger assemblies of nucleotide residues. ClaRNA is freely available via a web server that includes an extensive set of tools for processing and visualizing structural information about RNA molecules. PMID:25159614

Analogues of the epoxy resin monomer diglycidyl ether of bisphenol F: effects on contact allergenic potency and cytotoxicity.

PubMed

O'Boyle, Niamh M; Delaine, Tamara; Luthman, Kristina; Natsch, Andreas; Karlberg, Ann-Therese

2012-11-19

Diglycidyl ethers of bisphenol A (DGEBA) and bisphenol F (DGEBF) are widely used as components in epoxy resin thermosetting products. They are known to cause occupational and nonoccupational allergic contact dermatitis. The aim of this study is to investigate analogues of DGEBF with regard to contact allergy and cytotoxicity. A comprehensive knowledge of the structural features that contribute to the allergenic and cytotoxic effects of DGEBF will guide the development of future novel epoxy resin systems with reduced health hazards for those coming into contact with them. It was found that the allergenic effects of DGEBF were dependent on its terminal epoxide groups. In contrast, it was found that the cytotoxicity in monolayer cell culture was dependent not only on the presence of epoxide groups but also on other structural features.

Obtaining macroscopic quantities for the contact line problem from Density Functional Theory using asymptotic methods

NASA Astrophysics Data System (ADS)

Sibley, David; Nold, Andreas; Kalliadasis, Serafim

2015-11-01

Density Functional Theory (DFT), a statistical mechanics of fluids approach, captures microscopic details of the fluid density structure in the vicinity of contact lines, as seen in computations in our recent study. Contact lines describe the location where interfaces between two fluids meet solid substrates, and have stimulated a wealth of research due to both their ubiquity in nature and technological applications and also due to their rich multiscale behaviour. Whilst progress can be made computationally to capture the microscopic to mesoscopic structure from DFT, complete analytical results to fully bridge to the macroscale are lacking. In this work, we describe our efforts to bring asymptotic methods to DFT to obtain results for contact angles and other macroscopic quantities in various parameter regimes. We acknowledge financial support from European Research Council via Advanced Grant No. 247031.

Effect of surface texturing on superoleophobicity, contact angle hysteresis, and "robustness".

PubMed

Zhao, Hong; Park, Kyoo-Chul; Law, Kock-Yee

2012-10-23

Previously, we reported the creation of a fluorosilane (FOTS) modified pillar array silicon surface comprising ~3-μm-diameter pillars (6 μm pitch with ~7 μm height) that is both superhydrophobic and superoleophobic, with water and hexadecane contact angles exceeding 150° and sliding angles at ~10° owing to the surface fluorination and the re-entrant structure in the side wall of the pillar. In this work, the effects of surface texturing (pillar size, spacing, and height) on wettability, contact angle hysteresis, and "robustness" are investigated. We study the static, advancing, and receding contact angles, as well as the sliding angles as a function of the solid area fraction. The results reveal that pillar size and pillar spacing have very little effect on the static and advancing contact angles, as they are found to be insensitive to the solid area fraction from 0.04 to ~0.4 as the pillar diameter varies from 1 to 5 μm and the center-to-center spacing varies from 4.5 to 12 μm. On the other hand, sliding angle, receding contact angle, and contact angle hysteresis are found to be dependent on the solid area fraction. Specifically, receding contact angle decreases and sliding angle and hysteresis increase as the solid area fraction increases. This effect can be attributable to the increase in pinning as the solid area fraction increases. Surface Evolver modeling shows that water wets and pins the pillar surface whereas hexadecane wets the pillar surface and then penetrates into the side wall of the pillar with the contact line pinning underneath the re-entrant structure. Due to the penetration of the hexadecane drop into the pillar structure, the effect on the receding contact angle and hysteresis is larger relative to that of water. This interpretation is supported by studying a series of FOTS pillar array surfaces with varying overhang thickness. With the water drop, the contact line is pinned on the pillar surface and very little overhang thickness effect was observed. On the other hand, the hexadecane drop is shown to wet the pillar surface and the side wall of the overhang. It then pins at the lower edge of the overhang structure. A plot of the thickness of the overhang as a function of the static, advancing, and receding contact angles and sliding angle of hexadecane reveals that static, advancing, and receding contact angles decrease and sliding angle increases as the thickness of the overhang increases. A larger overhang effect is observed with octane due to its lower surface tension. The robustness of the pillar array surface against external pressure induced wetting and abrasion was modeled. Surface Evolver simulation (with the hexadecane drop) indicates that wetting breakthrough pressure as high as ~70 kPa is achievable with 0.5-μm-diameter pillar array FOTS surfaces. Mechanical modeling shows that bending of the pillars is the key failure by abrasion, which can be avoided with a short pillar structure. The path to fabricate a superoleophobic surface that can withstand the external force equivalent of a gentle cleaning blade (up to ~30 kPa) without wetting and abrasion failure is discussed.

Densities inferred from ESA's Venus Express aerobraking campaign at 130 km altitude

NASA Astrophysics Data System (ADS)

Bruinsma, Sean; Marty, Jean-Charles; Svedhem, Håkan; Williams, Adam; Mueller-Wodarg, Ingo

2015-04-01

In June-July 2014, ESA performed a planned aerobraking campaign with Venus Express to measure neutral densities above 130 km in Venus' atmosphere by means of the engineering accelerometers. To that purpose, the orbit perigee was lowered to approximately 130 km in order to enhance the atmospheric drag effect to the highest tolerable levels for the spacecraft; the accelerometer resolution and precision were not sufficient at higher altitudes. This campaign was requested as part of the Venus Express Atmospheric Drag Experiment (VExADE). A total of 18 orbits (i.e. days) were processed using the attitude quaternions to correctly orient the spacecraft bus and solar arrays in inertial space, which is necessary to accurately compute the exposed surface in the ram direction. The accelerometer data provide good measurements approximately from 130-140 km altitude; the length of the profiles is about 85 seconds, and they are on the early morning side (LST=4.5) at high northern latitude (70°N-82°N). The densities are a factor 2-3 larger than Hedin's VTS-3 thermosphere model, which is consistent with earlier results obtained via classical precise orbit determination at higher altitudes. Wavelike structures with amplitudes of 20% and more are detected, with wavelengths of about 100-500 km. We cannot entirely rule out that these waves are caused by the spacecraft or due to some unknown instrumental effect, but we estimate this probability to be very low.

Mass loss and chemical structures of wheat and maize straws in response to ultraviolet-B radiation and soil contact.

PubMed

Zhou, Guixiang; Zhang, Jiabao; Mao, Jingdong; Zhang, Congzhi; Chen, Lin; Xin, Xiuli; Zhao, Bingzi

2015-10-01

The role of photodegradation, an abiotic process, has been largely overlooked during straw decomposition in mesic ecosystems. We investigated the mass loss and chemical structures of straw decomposition in response to elevated UV-B radiation with or without soil contact over a 12-month litterbag experiment. Wheat and maize straw samples with and without soil contact were exposed to three radiation levels: a no-sunlight control, ambient solar UV-B, and artificially elevated UV-B radiation. A block control with soil contact was not included. Compared with the no-sunlight control, UV-B radiation increased the mass loss by 14-19% and the ambient radiation by 9-16% for wheat and maize straws without soil contact after 12 months. Elevated UV-B exposure decreased the decomposition rates of both wheat and maize straws when in contact with soil. Light exposure resulted in decreased O-alkyl carbons and increased alkyl carbons for both the wheat and maize straws compared with no-sunlight control. The difference in soil contact may influence the contribution of photodegradation to the overall straw decomposition process. These results indicate that we must take into account the effects of photodegradation when explaining the mechanisms of straw decomposition in mesic ecosystems.

Resistance to Rolling in the Adhesive Contact of Two Elastic Spheres

NASA Technical Reports Server (NTRS)

Dominik, C.; Tielens, A. G. G. M.

1995-01-01

For the stability of agglomerates of micron sized particles it is of considerable importance to study the effects of tangential forces on the contact of two particles. If the particles can slide or roll easily over each other, fractal structures of these agglomerates will not be stable. We use the description of contact forces by Johnson, Kendall and Roberts, along with arguments based on the atomic structure of the surfaces in contact, in order to calculate the resistance to rolling in such a contact. It is shown that the contact reacts elastically to torque forces up to a critical bending angle. Beyond that, irreversible rolling occurs. In the elastic regime, the moment opposing the attempt to roll is proportional to the bending angle and to the pull-off force P(sub c). Young's modulus of the involved materials has hardly any influence on the results. We show that agglomerates of sub-micron sized particles will in general be quite rigid and even long chains of particles cannot be bent easily. For very small particles, the contact will rather break than allow for rolling. We further discuss dynamic properties such as the possibility of vibrations in this degree of freedom and the typical amount of rolling during a collision of two particles.

Mass loss and chemical structures of wheat and maize straws in response to ultraviolet-B radiation and soil contact

PubMed Central

Zhou, Guixiang; Zhang, Jiabao; Mao, Jingdong; Zhang, Congzhi; Chen, Lin; Xin, Xiuli; Zhao, Bingzi

2015-01-01

The role of photodegradation, an abiotic process, has been largely overlooked during straw decomposition in mesic ecosystems. We investigated the mass loss and chemical structures of straw decomposition in response to elevated UV-B radiation with or without soil contact over a 12-month litterbag experiment. Wheat and maize straw samples with and without soil contact were exposed to three radiation levels: a no-sunlight control, ambient solar UV-B, and artificially elevated UV-B radiation. A block control with soil contact was not included. Compared with the no-sunlight control, UV-B radiation increased the mass loss by 14–19% and the ambient radiation by 9–16% for wheat and maize straws without soil contact after 12 months. Elevated UV-B exposure decreased the decomposition rates of both wheat and maize straws when in contact with soil. Light exposure resulted in decreased O-alkyl carbons and increased alkyl carbons for both the wheat and maize straws compared with no-sunlight control. The difference in soil contact may influence the contribution of photodegradation to the overall straw decomposition process. These results indicate that we must take into account the effects of photodegradation when explaining the mechanisms of straw decomposition in mesic ecosystems. PMID:26423726

Vibration-based damage detection in wind turbine blades using Phase-based Motion Estimation and motion magnification

NASA Astrophysics Data System (ADS)

Sarrafi, Aral; Mao, Zhu; Niezrecki, Christopher; Poozesh, Peyman

2018-05-01

Vibration-based Structural Health Monitoring (SHM) techniques are among the most common approaches for structural damage identification. The presence of damage in structures may be identified by monitoring the changes in dynamic behavior subject to external loading, and is typically performed by using experimental modal analysis (EMA) or operational modal analysis (OMA). These tools for SHM normally require a limited number of physically attached transducers (e.g. accelerometers) in order to record the response of the structure for further analysis. Signal conditioners, wires, wireless receivers and a data acquisition system (DAQ) are also typical components of traditional sensing systems used in vibration-based SHM. However, instrumentation of lightweight structures with contact sensors such as accelerometers may induce mass-loading effects, and for large-scale structures, the instrumentation is labor intensive and time consuming. Achieving high spatial measurement resolution for a large-scale structure is not always feasible while working with traditional contact sensors, and there is also the potential for a lack of reliability associated with fixed contact sensors in outliving the life-span of the host structure. Among the state-of-the-art non-contact measurements, digital video cameras are able to rapidly collect high-density spatial information from structures remotely. In this paper, the subtle motions from recorded video (i.e. a sequence of images) are extracted by means of Phase-based Motion Estimation (PME) and the extracted information is used to conduct damage identification on a 2.3-m long Skystream® wind turbine blade (WTB). The PME and phased-based motion magnification approach estimates the structural motion from the captured sequence of images for both a baseline and damaged test cases on a wind turbine blade. Operational deflection shapes of the test articles are also quantified and compared for the baseline and damaged states. In addition, having proper lighting while working with high-speed cameras can be an issue, therefore image enhancement and contrast manipulation has also been performed to enhance the raw images. Ultimately, the extracted resonant frequencies and operational deflection shapes are used to detect the presence of damage, demonstrating the feasibility of implementing non-contact video measurements to perform realistic structural damage detection.

Gonadotropin-Releasing Hormone (GnRH) Receptor Structure and GnRH Binding

PubMed Central

Flanagan, Colleen A.; Manilall, Ashmeetha

2017-01-01

Gonadotropin-releasing hormone (GnRH) regulates reproduction. The human GnRH receptor lacks a cytoplasmic carboxy-terminal tail but has amino acid sequence motifs characteristic of rhodopsin-like, class A, G protein-coupled receptors (GPCRs). This review will consider how recent descriptions of X-ray crystallographic structures of GPCRs in inactive and active conformations may contribute to understanding GnRH receptor structure, mechanism of activation and ligand binding. The structures confirmed that ligands bind to variable extracellular surfaces, whereas the seven membrane-spanning α-helices convey the activation signal to the cytoplasmic receptor surface, which binds and activates heterotrimeric G proteins. Forty non-covalent interactions that bridge topologically equivalent residues in different transmembrane (TM) helices are conserved in class A GPCR structures, regardless of activation state. Conformation-independent interhelical contacts account for a conserved receptor protein structure and their importance in the GnRH receptor structure is supported by decreased expression of receptors with mutations of residues in the network. Many of the GnRH receptor mutations associated with congenital hypogonadotropic hypogonadism, including the Glu2.53(90) Lys mutation, involve amino acids that constitute the conserved network. Half of the ~250 intramolecular interactions in GPCRs differ between inactive and active structures. Conformation-specific interhelical contacts depend on amino acids changing partners during activation. Conserved inactive conformation-specific contacts prevent receptor activation by stabilizing proximity of TM helices 3 and 6 and a closed G protein-binding site. Mutations of GnRH receptor residues involved in these interactions, such as Arg3.50(139) of the DRY/S motif or Tyr7.53(323) of the N/DPxxY motif, increase or decrease receptor expression and efficiency of receptor coupling to G protein signaling, consistent with the native residues stabilizing the inactive GnRH receptor structure. Active conformation-specific interhelical contacts stabilize an open G protein-binding site. Progress in defining the GnRH-binding site has recently slowed, with evidence that Tyr6.58(290) contacts Tyr5 of GnRH, whereas other residues affect recognition of Trp3 and Gly10NH2. The surprisingly consistent observations that GnRH receptor mutations that disrupt GnRH binding have less effect on “conformationally constrained” GnRH peptides may now be explained by crystal structures of agonist-bound peptide receptors. Analysis of GPCR structures provides insight into GnRH receptor function. PMID:29123501

Contact replacement for NMR resonance assignment.

PubMed

Xiong, Fei; Pandurangan, Gopal; Bailey-Kellogg, Chris

2008-07-01

Complementing its traditional role in structural studies of proteins, nuclear magnetic resonance (NMR) spectroscopy is playing an increasingly important role in functional studies. NMR dynamics experiments characterize motions involved in target recognition, ligand binding, etc., while NMR chemical shift perturbation experiments identify and localize protein-protein and protein-ligand interactions. The key bottleneck in these studies is to determine the backbone resonance assignment, which allows spectral peaks to be mapped to specific atoms. This article develops a novel approach to address that bottleneck, exploiting an available X-ray structure or homology model to assign the entire backbone from a set of relatively fast and cheap NMR experiments. We formulate contact replacement for resonance assignment as the problem of computing correspondences between a contact graph representing the structure and an NMR graph representing the data; the NMR graph is a significantly corrupted, ambiguous version of the contact graph. We first show that by combining connectivity and amino acid type information, and exploiting the random structure of the noise, one can provably determine unique correspondences in polynomial time with high probability, even in the presence of significant noise (a constant number of noisy edges per vertex). We then detail an efficient randomized algorithm and show that, over a variety of experimental and synthetic datasets, it is robust to typical levels of structural variation (1-2 AA), noise (250-600%) and missings (10-40%). Our algorithm achieves very good overall assignment accuracy, above 80% in alpha-helices, 70% in beta-sheets and 60% in loop regions. Our contact replacement algorithm is implemented in platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

Clustering biomolecular complexes by residue contacts similarity.

PubMed

Rodrigues, João P G L M; Trellet, Mikaël; Schmitz, Christophe; Kastritis, Panagiotis; Karaca, Ezgi; Melquiond, Adrien S J; Bonvin, Alexandre M J J

2012-07-01

Inaccuracies in computational molecular modeling methods are often counterweighed by brute-force generation of a plethora of putative solutions. These are then typically sieved via structural clustering based on similarity measures such as the root mean square deviation (RMSD) of atomic positions. Albeit widely used, these measures suffer from several theoretical and technical limitations (e.g., choice of regions for fitting) that impair their application in multicomponent systems (N > 2), large-scale studies (e.g., interactomes), and other time-critical scenarios. We present here a simple similarity measure for structural clustering based on atomic contacts--the fraction of common contacts--and compare it with the most used similarity measure of the protein docking community--interface backbone RMSD. We show that this method produces very compact clusters in remarkably short time when applied to a collection of binary and multicomponent protein-protein and protein-DNA complexes. Furthermore, it allows easy clustering of similar conformations of multicomponent symmetrical assemblies in which chain permutations can occur. Simple contact-based metrics should be applicable to other structural biology clustering problems, in particular for time-critical or large-scale endeavors. Copyright © 2012 Wiley Periodicals, Inc.