Alfvén simple waves

NASA Astrophysics Data System (ADS)

Webb, G. M.; Zank, G. P.; Burrows, R. H.; Ratkiewicz, R. E.

2011-02-01

Multi-dimensional Alfvén simple waves in magnetohydrodynamics (MHD) are investigated using Boillat's formalism. For simple wave solutions, all physical variables (the gas density, pressure, fluid velocity, entropy, and magnetic field induction in the MHD case) depend on a single phase function ϕ, which is a function of the space and time variables. The simple wave ansatz requires that the wave normal and the normal speed of the wave front depend only on the phase function ϕ. This leads to an implicit equation for the phase function and a generalization of the concept of a plane wave. We obtain examples of Alfvén simple waves, based on the right eigenvector solutions for the Alfvén mode. The Alfvén mode solutions have six integrals, namely that the entropy, density, magnetic pressure, and the group velocity (the sum of the Alfvén and fluid velocity) are constant throughout the wave. The eigenequations require that the rate of change of the magnetic induction B with ϕ throughout the wave is perpendicular to both the wave normal n and B. Methods to construct simple wave solutions based on specifying either a solution ansatz for n(ϕ) or B(ϕ) are developed.

Alfven Simple Waves

NASA Astrophysics Data System (ADS)

Webb, G. M.; Zank, G. P.; Burrows, R.

2009-12-01

Multi-dimensional Alfvén simple waves in magnetohydrodynamics (MHD) are investigated using Boillat's formalism. For simple wave solutions, all physical variables (the gas density, pressure, fluid velocity, entropy, and magnetic field induction in the MHD case) depend on a single phase function ǎrphi which is a function of the space and time variables. The simple wave ansatz requires that the wave normal and the normal speed of the wave front depend only on the phase function ǎrphi. This leads to an implicit equation for the phase function, and a generalisation of the concept of a plane wave. We obtain examples of Alfvén simple waves, based on the right eigenvector solutions for the Alfvén mode. The Alfvén mode solutions have six integrals, namely that the entropy, density, magnetic pressure and the group velocity (the sum of the Alfvén and fluid velocity) are constant throughout the wave. The eigen-equations require that the rate of change of the magnetic induction B with ǎrphi throughout the wave is perpendicular to both the wave normal n and B. Methods to construct simple wave solutions based on specifying either a solution ansatz for n(ǎrphi) or B(ǎrphi) are developed.

Upper-Level Waves of Synoptic Scale at Midlatitudes

NASA Astrophysics Data System (ADS)

Rivest, Chantal

1990-01-01

Upper-level waves of synoptic scale are important dynamical entities at midlatitudes. They often induce surface cyclogenesis (cf. Peterssen and Smebye, 1971), and their life duration is typically longer than time scales for disruption by the ambient shear (Sanders, 1988). The objectives of the present thesis are to explain the maintenance and genesis of upper-level synoptic-scale waves in the midlatitude flow. We develop an analytical model of waves on generalized Eady basic states that have uniform tropospheric and stratospheric potential vorticity, but allow for the decay of density with height. The Eady basic state represents the limiting case of infinite stratospheric stability and constant density. We find that the Eady normal mode characteristics hold in the presence of realistic tropopause and stratosphere. In particular, the basic states studied support at the synoptic scale upper-level normal modes. These modes provide simple models for the dynamics of upper-level synoptic-scale waves, as waves supported by the large latitudinal gradients of potential vorticity at the tropopause. In the presence of infinitesimal positive tropospheric gradients of potential vorticity, the upper-level normal mode solutions no longer exist, as was demonstrated in Green (1960). Disappearance of the normal mode solution when a parameter changes slightly represents a dilemma that we seek to understand. We examine what happens to the upper-level normal modes in the presence of tropospheric gradients of potential vorticity in a series of initial -value experiments. Our results show that the normal modes become slowly decaying quasi-modes. Mathematically the quasi-modes consist of a superposition of singular modes sharply peaked in the phase speed domain, and their decay proceeds as the modes interfere with one another. We repeat these experiments in basic states with a smooth tropopause in the presence of tropospheric and stratospheric gradients, and similar results are obtained. Basic states with positive tropospheric and stratospheric gradients of potential vorticity are found to support upper-level synoptic-scale waves for time scales consistent with observations. Following Farrell (1989), we then identify a class of near optimal initial conditions for the excitation of upper-level waves. The initial conditions consist of upper -tropospheric disturbances that lean against the shear. They strongly excite upper-level waves not only in the absence of tropospheric potential vorticity gradients, but also in their presence. This result demonstrates that quasi -modes are as likely to emerge from favorably configured initial conditions as real normal modes, although their excitation is followed by a slow decay. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.).

An approach to detect afterslips in giant earthquakes in the normal-mode frequency band

NASA Astrophysics Data System (ADS)

Tanimoto, Toshiro; Ji, Chen; Igarashi, Mitsutsugu

2012-08-01

An approach to detect afterslips in the source process of giant earthquakes is presented in the normal-mode frequency band (0.3-2.0 mHz). The method is designed to avoid a potential systematic bias problem in the determination of earthquake moment by a typical normal-mode approach. The source of bias is the uncertainties in Q (modal attenuation parameter) which varies by up to about ±10 per cent among published studies. A choice of Q values within this range affects amplitudes in synthetic seismograms significantly if a long time-series of about 5-7 d is used for analysis. We present an alternative time-domain approach that can reduce this problem by focusing on a shorter time span with a length of about 1 d. Application of this technique to four recent giant earthquakes is presented: (1) the Tohoku, Japan, earthquake of 2011 March 11, (2) the 2010 Maule, Chile earthquake, (3) the 2004 Sumatra-Andaman earthquake and (4) the Solomon earthquake of 2007 April 1. The Global Centroid Moment Tensor (GCMT) solution for the Tohoku earthquake explains the normal-mode frequency band quite well. The analysis for the 2010 Chile earthquake indicates that the moment is about 7-10 per cent higher than the moment determined by its GCMT solution but further analysis shows that there is little evidence of afterslip; the deviation in moment can be explained by an increase of the dip angle from 18° in the GCMT solution to 19°. This may be a simple trade-off problem between the moment and dip angle but it may also be due to a deeper centroid in the normal-mode frequency band data, as a deeper source could have steeper dip angle due to changes in geometry of the Benioff zone. For the 2004 Sumatra-Andaman earthquake, the five point-source solution by Tsai et al. explains most of the signals but a sixth point-source with long duration improves the fit to the normal-mode frequency band data. The 2007 Solomon earthquake shows that the high-frequency part of our analysis (above 1 mHz) is compatible with the GCMT solution but the low-frequency part requires afterslip to explain the increasing amplitude ratios towards lower frequency. The required slip has the moment about 19 per cent of the GCMT solution and the rise time of 260 s. The total moment of these earthquakes are 5.31 × 1022 N m (Tohoku), (1.86-1.96) × 1022 N m (Chile), 1.33 × 1023 N m (Sumatra) and 1.86 × 1021 N m (Solomon). The moment magnitudes are 9.08, 8.78-8.79, 9.35 and 8.11, respectively, using Kanamori's original formula between the moment and the moment magnitude. However, the trade-off problem between the moment and dip angle can modify these estimates for moment up to about 40-50 per cent and the corresponding magnitude ±0.1.

On the use of attachment modes in substructure coupling for dynamic analysis

NASA Technical Reports Server (NTRS)

Craig, R. R., Jr.; Chang, C.-J.

1977-01-01

Substructure coupling or component-mode synthesis may be employed in the solution of dynamics problems for complex structures. Although numerous substructure-coupling methods have been devised, little attention has been devoted to methods employing attachment modes. In the present paper the various mode sets (normal modes, constraint modes, attachment modes) are defined. A generalized substructure-coupling procedure is described. Those substructure-coupling methods which employ attachment modes are described in detail. One of these methods is shown to lead to results (e.g., system natural frequencies) comparable to or better than those obtained by the Hurty (1965) method.

Time-domain study of acoustic pulse propagation in an ocean waveguide using a new normal mode model

NASA Astrophysics Data System (ADS)

Sidorovskaia, Natalia Anatol'evna

1997-11-01

This study is focused on issues of numerical modeling of sound propagation in diverse ocean waveguides. A new normal mode acoustical model (Shallow Water Acoustic Mode Propagation-SWAMP) has been developed. The algorithm for obtaining the vertical modal solution is based on a warping matrix transformation of the solution of an isovelocity (reference) waveguide to one of arbitrary velocity profile. An efficient mode coupling scheme with an adaptive step-size in range has been implemented for range-dependent environments. The new algorithm allows fairly arbitrary ocean layering and readily works at high frequency. An important advantage of the new procedure is that vertical modal eigenfunctions can easily be transformed to a spherical representation suitable for coupling in object scattering problems. Benchmarking results of the new code against established acoustic models based on parabolic equation and existing normal mode approaches show good agreement for range-independent and up-slope and down-slope bathymetries and a very competitive calculation speed. Broad-band pulse propagation in deep and shallow water with double (surface and bottom) ducts has been modeled using the new normal mode model for a variety of ocean waveguide parameters and different frequency bands. The surface duct generates a series of the surface-duct-trapped- modes, which form amplitude-modulated precursors in the far field pulse response. It has been found that the arrival times of the precursors could not be explained by the conventional concept of group velocity so that a more general principle based on the rate of energy transfer has been used. The Airy function solution was found to explain the amplitude modulation of the precursors. It has been learned from the numerical simulation that for a range-independent environment the time separation between precursors is fixed and any variations from this have been a result of range-dependence and mode coupling in the model. The time separation between precursors is in a good agreement with experimental data. The pulse energy distribution in space and time has been used to obtain source localization in depth and range, bottom integrated impedance and an outline of the sound speed profile in the water column. Further model development will lead to a unified approach to propagation and scattering problems in an ocean waveguide, with some aspects of immersed object identification and localization accomplished.

Large-amplitude hydromagnetic waves in collisionless relativistic plasma - Exact solution for the fast-mode magnetoacoustic wave

NASA Technical Reports Server (NTRS)

Barnes, A.

1983-01-01

An exact nonlinear solution is found to the relativistic kinetic and electrodynamic equations (in their hydromagnetic limit) that describes the large-amplitude fast-mode magnetoacoustic wave propagating normal to the magnetic field in a collisionless, previously uniform plasma. It is pointed out that a wave of this kind will be generated by transverse compression of any collisionless plasma. The solution is in essence independent of the detailed form of the particle momentum distribution functions. The solution is obtained, in part, through the method of characteristics; the wave exhibits the familiar properties of steepening and shock formation. A detailed analysis is given of the ultrarelativistic limit of this wave.

Solute plumes mean velocity in aquifer transport: Impact of injection and detection modes

NASA Astrophysics Data System (ADS)

Dagan, Gedeon

2017-08-01

Flow of mean velocity U takes place in a heterogeneous aquifer of random spatially variable conductivity K. A solute plume is injected instantaneously along a plane normal to U, over a large area relative to the logconductivity integral scale I (ergodic plume). Transport is by advection by the spatially variable Eulerian velocity. The study is focused on the derivation of the mean plume velocity in the four modes set forth by Kreft and Zuber [1978] for one dimensional flow in a homogeneous medium. In the resident injection mode the mass is initially distributed uniformly in space while in the flux mode it is proportional to the local velocity. In the resident detection mode the mean velocity pertains to the plume centroid, whereas in flux detection it is quantified with the aid of the BTC and the corresponding mean arrival time. In agreement with the literature, it is shown that URR and UFF, pertaining to same injection and detection modes, either resident or flux, are equal to U. In contrast, in the mixed modes the solute velocity may differ significantly from U near the injection plane, approaching it at large distances relative to I. These effects are explained qualitatively with the aid of the exact solution for stratified aquifers.

Calculation of normal modes of the closed waveguides in general vector case

NASA Astrophysics Data System (ADS)

Malykh, M. D.; Sevastianov, L. A.; Tiutiunnik, A. A.

2018-04-01

The article is devoted to the calculation of normal modes of the closed waveguides with an arbitrary filling ɛ, μ in the system of computer algebra Sage. Maxwell equations in the cylinder are reduced to the system of two bounded Helmholtz equations, the notion of weak solution of this system is given and then this system is investigated as a system of ordinary differential equations. The normal modes of this system are an eigenvectors of a matrix pencil. We suggest to calculate the matrix elements approximately and to truncate the matrix by usual way but further to solve the truncated eigenvalue problem exactly in the field of algebraic numbers. This approach allows to keep the symmetry of the initial problem and in particular the multiplicity of the eigenvalues. In the work would be presented some results of calculations.

Regularized quasinormal modes for plasmonic resonators and open cavities

NASA Astrophysics Data System (ADS)

Kamandar Dezfouli, Mohsen; Hughes, Stephen

2018-03-01

Optical mode theory and analysis of open cavities and plasmonic particles is an essential component of optical resonator physics, offering considerable insight and efficiency for connecting to classical and quantum optical properties such as the Purcell effect. However, obtaining the dissipative modes in normalized form for arbitrarily shaped open-cavity systems is notoriously difficult, often involving complex spatial integrations, even after performing the necessary full space solutions to Maxwell's equations. The formal solutions are termed quasinormal modes, which are known to diverge in space, and additional techniques are frequently required to obtain more accurate field representations in the far field. In this work, we introduce a finite-difference time-domain technique that can be used to obtain normalized quasinormal modes using a simple dipole-excitation source, and an inverse Green function technique, in real frequency space, without having to perform any spatial integrations. Moreover, we show how these modes are naturally regularized to ensure the correct field decay behavior in the far field, and thus can be used at any position within and outside the resonator. We term these modes "regularized quasinormal modes" and show the reliability and generality of the theory by studying the generalized Purcell factor of dipole emitters near metallic nanoresonators, hybrid devices with metal nanoparticles coupled to dielectric waveguides, as well as coupled cavity-waveguides in photonic crystals slabs. We also directly compare our results with full-dipole simulations of Maxwell's equations without any approximations, and show excellent agreement.

Inflow/Outflow Conditions for Unsteady Aerodynamics and Aeroacoustics in Nonuniform Flow

NASA Technical Reports Server (NTRS)

Atassi, Oliver V.; Grady, Joseph E. (Technical Monitor)

2003-01-01

The effect of a nonuniform mean flow on the normal modes; the inflow/outflow nonreflecting boundary conditions; and the sound power are studied. The normal modes in an annular duct are computed using a spectral method in combination with a shooting method. The swirl causes force imbalance which couples the acoustic and vortical modes. The acoustic modes are distinguished from the vortical modes by their large pressure and small vorticity content. The mean swirl also produces a Doppler shift in frequency. This results in more counter-spinning modes cut-on at a given frequency than modes spinning with the swirl. Nonreflecting boundary conditions are formulated using the normal mode solutions. The inflow/outflow boundary conditions are implemented in a linearized Euler scheme and validated by computing the propagation of acoustic and vortical waves in a duct for a variety of swirling mean flows. Numerical results show that the evolution of the vortical disturbances is sensitive to the inflow conditions and the details of the wake excitations. All three components of the wake velocity must be considered to correctly compute the wake evolution and the blade upwash. For high frequencies, the acoustic-vortical mode coupling is weak and a conservation equation for the acoustic energy can be derived. Sound power calculations show significant mean flow swirl effects, but mode interference effects are small.

The origin of nulls mode changes and timing noise in pulsars

NASA Astrophysics Data System (ADS)

Jones, P. B.

A solvable polar cap model obtained previously has normal states which may be associated with radio emission and null states. The solutions cannot be time-independent; the neutron star surface temperature T and mean surface nuclear charge Z are both functions of time. The normal and null states, and the transitions between them, form closed cycles in the T-Z plane. Normal-null transitions can occur inside a fraction of the area on the neutron star surface intersected by open magnetic flux lines. The fraction increases with pulsar period and becomes unity when the pulsar nears extinction. Frequency noise, mode changes, and pulse nulls have a common explanation in the transitions.

The origin of nulls, mode changes and timing noise in pulsars

NASA Astrophysics Data System (ADS)

Jones, P. B.

1982-09-01

A solvable polar cap model obtained previously has normal states which may be associated with radio emission, and null states. The solutions cannot be time-independent; the neutron star surface temperature T and mean surface nuclear charge Z are both functions of time. The normal and null states and the transitions between them, form closed cycles in the T-Z plane. Normal-null transitions can occur inside a fraction of the area of the neutron star surface intersected by open magnetic flux lines. The fraction increases with pulsar period and becomes unity when the pulsar nears extinction. Frequency noise, mode changes and pulse nulls have a common explanation in the transitions.

Structural dynamic model obtained from flight use with piloted simulation and handling qualities analysis

NASA Technical Reports Server (NTRS)

Powers, Bruce G.

1996-01-01

The ability to use flight data to determine an aircraft model with structural dynamic effects suitable for piloted simulation. and handling qualities analysis has been developed. This technique was demonstrated using SR-71 flight test data. For the SR-71 aircraft, the most significant structural response is the longitudinal first-bending mode. This mode was modeled as a second-order system, and the other higher order modes were modeled as a time delay. The distribution of the modal response at various fuselage locations was developed using a uniform beam solution, which can be calibrated using flight data. This approach was compared to the mode shape obtained from the ground vibration test, and the general form of the uniform beam solution was found to be a good representation of the mode shape in the areas of interest. To calibrate the solution, pitch-rate and normal-acceleration instrumentation is required for at least two locations. With the resulting structural model incorporated into the simulation, a good representation of the flight characteristics was provided for handling qualities analysis and piloted simulation.

Elementary solutions of coupled model equations in the kinetic theory of gases

NASA Technical Reports Server (NTRS)

Kriese, J. T.; Siewert, C. E.; Chang, T. S.

1974-01-01

The method of elementary solutions is employed to solve two coupled integrodifferential equations sufficient for determining temperature-density effects in a linearized BGK model in the kinetic theory of gases. Full-range completeness and orthogonality theorems are proved for the developed normal modes and the infinite-medium Green's function is constructed as an illustration of the full-range formalism. The appropriate homogeneous matrix Riemann problem is discussed, and half-range completeness and orthogonality theorems are proved for a certain subset of the normal modes. The required existence and uniqueness theorems relevant to the H matrix, basic to the half-range analysis, are proved, and an accurate and efficient computational method is discussed. The half-space temperature-slip problem is solved analytically, and a highly accurate value of the temperature-slip coefficient is reported.

S-Wave Normal Mode Propagation in Aluminum Cylinders

USGS Publications Warehouse

Lee, Myung W.; Waite, William F.

2010-01-01

Large amplitude waveform features have been identified in pulse-transmission shear-wave measurements through cylinders that are long relative to the acoustic wavelength. The arrival times and amplitudes of these features do not follow the predicted behavior of well-known bar waves, but instead they appear to propagate with group velocities that increase as the waveform feature's dominant frequency increases. To identify these anomalous features, the wave equation is solved in a cylindrical coordinate system using an infinitely long cylinder with a free surface boundary condition. The solution indicates that large amplitude normal-mode propagations exist. Using the high-frequency approximation of the Bessel function, an approximate dispersion relation is derived. The predicted amplitude and group velocities using the approximate dispersion relation qualitatively agree with measured values at high frequencies, but the exact dispersion relation should be used to analyze normal modes for full ranges of frequency of interest, particularly at lower frequencies.

Normal-mode-based analysis of electron plasma waves with second-order Hermitian formalism

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

Ramos, J. J.; White, R. L.

The classic problem of the dynamic evolution and Landau damping of linear Langmuir electron waves in a collisionless plasma with Maxwellian background is cast as a second-order, self-adjoint problem with a continuum spectrum of real and positive squared frequencies. The corresponding complete basis of singular normal modes is obtained, along with their orthogonality relation. This yields easily the general expression of the time-reversal-invariant solution for any initial-value problem. Examples are then given for specific initial conditions that illustrate different behaviors of the Landau-damped macroscopic moments of the perturbations.

Normal-mode-based analysis of electron plasma waves with second-order Hermitian formalism

DOE PAGES

Ramos, J. J.; White, R. L.

2018-03-01

The classic problem of the dynamic evolution and Landau damping of linear Langmuir electron waves in a collisionless plasma with Maxwellian background is cast as a second-order, self-adjoint problem with a continuum spectrum of real and positive squared frequencies. The corresponding complete basis of singular normal modes is obtained, along with their orthogonality relation. This yields easily the general expression of the time-reversal-invariant solution for any initial-value problem. Examples are then given for specific initial conditions that illustrate different behaviors of the Landau-damped macroscopic moments of the perturbations.

Super H-mode: theoretical prediction and initial observations of a new high performance regime for tokamak operation

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

Snyder, Philip B.; Solomon, Wayne M.; Burrell, Keith H.

2015-07-21

A new “Super H-mode” regime is predicted, which enables pedestal height and predicted fusion performance substantially higher than for H-mode operation. This new regime is predicted to exist by the EPED pedestal model, which calculates criticality constraints for peeling-ballooning and kinetic ballooning modes, and combines them to predict the pedestal height and width. EPED usually predicts a single (“H-mode”) pedestal solution for each set of input parameters, however, in strongly shaped plasmas above a critical density, multiple pedestal solutions are found, including the standard “Hmode” solution, and a “Super H-Mode” solution at substantially larger pedestal height and width. The Supermore » H-mode regime is predicted to be accessible by controlling the trajectory of the density, and to increase fusion performance for ITER, as well as for DEMO designs with strong shaping. A set of experiments on DIII-D has identified the predicted Super H-mode regime, and finds pedestal height and width, and their variation with density, in good agreement with theoretical predictions from the EPED model. Finally, the very high pedestal enables operation at high global beta and high confinement, including the highest normalized beta achieved on DIII-D with a quiescent edge.« less

Divergent series and memory of the initial condition in the long-time solution of some anomalous diffusion problems.

PubMed

Yuste, S Bravo; Borrego, R; Abad, E

2010-02-01

We consider various anomalous d -dimensional diffusion problems in the presence of an absorbing boundary with radial symmetry. The motion of particles is described by a fractional diffusion equation. Their mean-square displacement is given by r(2) proportional, variant t(gamma)(00 , the emergence of such series in the long-time domain is a specific feature of subdiffusion problems. We present a method to regularize such series, and, in some cases, validate the procedure by using alternative techniques (Laplace transform method and numerical simulations). In the normal diffusion case, we find that the signature of the initial condition on the approach to the steady state rapidly fades away and the solution approaches a single (the main) decay mode in the long-time regime. In remarkable contrast, long-time memory of the initial condition is present in the subdiffusive case as the spatial part Psi1(r) describing the long-time decay of the solution to the steady state is determined by a weighted superposition of all spatial modes characteristic of the normal diffusion problem, the weight being dependent on the initial condition. Interestingly, Psi1(r) turns out to be independent of the anomalous diffusion exponent gamma .

On the properties of circular beams: normalization, Laguerre-Gauss expansion, and free-space divergence.

PubMed

Vallone, Giuseppe

2015-04-15

Circular beams were introduced as a very general solution to the paraxial wave equation carrying orbital angular momentum. Here, we study their properties by looking at their normalization and their expansion in terms of Laguerre-Gauss modes. We also study their far-field divergence and, for particular cases of the beam parameters, their possible experimental generation.

Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis.

PubMed

Machado, Agnes Thiane Pereira; Fonseca, Emanuella Maria Barreto; Reis, Marcelo Augusto Dos; Saraiva, Antonio Marcos; Santos, Clelton Aparecido Dos; de Toledo, Marcelo Augusto Szymanski; Polikarpov, Igor; de Souza, Anete Pereira; Aparicio, Ricardo; Iulek, Jorge

2017-10-01

Xylella fastidiosa is a xylem-limited bacterium that infects a wide variety of plants. Stationary phase survival protein E is classified as a nucleotidase, which is expressed when bacterial cells are in the stationary growth phase and subjected to environmental stresses. Here, we report four refined X-ray structures of this protein from X. fastidiosa in four different crystal forms in the presence and/or absence of the substrate 3'-AMP. In all chains, the conserved loop verified in family members assumes a closed conformation in either condition. Therefore, the enzymatic mechanism for the target protein might be different of its homologs. Two crystal forms exhibit two monomers whereas the other two show four monomers in the asymmetric unit. While the biological unit has been characterized as a tetramer, differences of their sizes and symmetry are remarkable. Four conformers identified by Small-Angle X-ray Scattering (SAXS) in a ligand-free solution are related to the low frequency normal modes of the crystallographic structures associated with rigid body-like protomer arrangements responsible for the longitudinal and symmetric adjustments between tetramers. When the substrate is present in solution, only two conformers are selected. The most prominent conformer for each case is associated to a normal mode able to elongate the protein by moving apart two dimers. To our knowledge, this work was the first investigation based on the normal modes that analyzed the quaternary structure variability for an enzyme of the SurE family followed by crystallography and SAXS validation. The combined results raise new directions to study allosteric features of XfSurE protein. © 2017 Wiley Periodicals, Inc.

Fluctuations, ghosts, and the cosmological constant

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

Hirayama, T.; Holdom, B.

2004-12-15

For a large region of parameter space involving the cosmological constant and mass parameters, we discuss fluctuating spacetime solutions that are effectively Minkowskian on large time and distance scales. Rapid, small amplitude oscillations in the scale factor have a frequency determined by the size of a negative cosmological constant. A field with modes of negative energy is required. If it is gravity that induces a coupling between the ghostlike and normal fields, we find that this results in stochastic rather than unstable behavior. The negative energy modes may also permit the existence of Lorentz invariant fluctuating solutions of finite energymore » density. Finally we consider higher derivative gravity theories and find oscillating metric solutions in these theories without the addition of other fields.« less

A method for distinguishing between propagons, diffusions, and locons

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

Seyf, Hamid Reza; Henry, Asegun; School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332

2016-07-14

The majority of intuition on phonon transport has been derived from studies of homogenous crystalline solids, where the atomic composition and structure are periodic. For this specific class of materials, the solutions to the equations of motions for the atoms (in the harmonic limit) result in plane wave modulated velocity fields for the normal modes of vibration. However, it has been known for several decades that whenever a system lacks periodicity, either compositional or structural, the normal modes of vibration can still be determined (in the harmonic limit), but the solutions take on different characteristics and many modes may notmore » be plane wave modulated. Previous work has classified the types of vibrations into three primary categories, namely, propagons, diffusions, and locons. One can use the participation ratio to distinguish locons, from propagons and diffusons, which measures the extent to which a mode is localized. However, distinguishing between propagons and diffusons has remained a challenge, since both are spatially delocalized. Here, we present a new method that quantifies the extent to which a mode's character corresponds to a propagating mode, e.g., exhibits plane wave modulation. This then allows for clear and quantitative distinctions between propagons and diffusons. By resolving this issue quantitatively, one can now automate the classification of modes for any arbitrary material or structure, subject to a single constraint that the atoms must vibrate stably around their respective equilibrium sites. Several example test cases are studied including crystalline silicon and germanium, crystalline silicon with different defect concentrations, as well as amorphous silicon, germanium, and silica.« less

Influence of Mixed Mode I-Mode II Loading on Fatigue Delamination Growth Characteristics of a Graphite Epoxy Tape Laminate

NASA Technical Reports Server (NTRS)

Ratcliffe, James G.; Johnston, William M., Jr.

2014-01-01

Mixed mode I-mode II interlaminar tests were conducted on IM7/8552 tape laminates using the mixed-mode bending test. Three mixed mode ratios, G(sub II)/G(sub T) = 0.2, 0.5, and 0.8, were considered. Tests were performed at all three mixed-mode ratios under quasi-static and cyclic loading conditions, where the former static tests were used to determine initial loading levels for the latter fatigue tests. Fatigue tests at each mixed-mode ratio were performed at four loading levels, Gmax, equal to 0.5G(sub c), 0.4G(sub c), 0.3G(sub c), and 0.2G(sub c), where G(sub c) is the interlaminar fracture toughness of the corresponding mixed-mode ratio at which a test was performed. All fatigue tests were performed using constant-amplitude load control and delamination growth was automatically documented using compliance solutions obtained from the corresponding quasi-static tests. Static fracture toughness data yielded a mixed-mode delamination criterion that exhibited monotonic increase in Gc with mixed-mode ratio, G(sub II)/G(sub T). Fatigue delamination onset parameters varied monotonically with G(sub II)/G(sub T), which was expected based on the fracture toughness data. Analysis of non-normalized data yielded a monotonic change in Paris law exponent with mode ratio. This was not the case when normalized data were analyzed. Fatigue data normalized by the static R-curve were most affected in specimens tested at G(sub II)/G(sub T)=0.2 (this process has little influence on the other data). In this case, the normalized data yielded a higher delamination growth rate compared to the raw data for a given loading level. Overall, fiber bridging appeared to be the dominant mechanism, affecting delamination growth rates in specimens tested at different load levels and differing mixed-mode ratios.

An information theory approach to the density of the earth

NASA Technical Reports Server (NTRS)

Graber, M. A.

1977-01-01

Information theory can develop a technique which takes experimentally determined numbers and produces a uniquely specified best density model satisfying those numbers. A model was generated using five numerical parameters: the mass of the earth, its moment of inertia, three zero-node torsional normal modes (L = 2, 8, 26). In order to determine the stability of the solution, six additional densities were generated, in each of which the period of one of the three normal modes was increased or decreased by one standard deviation. The superposition of the seven models is shown. It indicates that current knowledge of the torsional modes is sufficient to specify the density in the upper mantle but that the lower mantle and core will require smaller standard deviations before they can be accurately specified.

Time-dependent local-to-normal mode transition in triatomic molecules

NASA Astrophysics Data System (ADS)

Cruz, Hans; Bermúdez-Montaña, Marisol; Lemus, Renato

2018-01-01

Time-evolution of the vibrational states of two interacting harmonic oscillators in the local mode scheme is presented. A local-to-normal mode transition (LNT) is identified and studied from temporal perspective through time-dependent frequencies of the oscillators. The LNT is established as a polyad-breaking phenomenon from the local standpoint for the stretching degrees of freedom in a triatomic molecule. This study is carried out in the algebraic representation of bosonic operators. The dynamics of the states are determined via the solutions of the corresponding nonlinear Ermakov equation and a local time-dependent polyad is obtained as a tool to identify the LNT. Applications of this formalism to H2O, CO2, O3 and NO2 molecules in the adiabatic, sudden and linear regime are considered.

Combined mode I stress intensity factors of slanted cracks

NASA Astrophysics Data System (ADS)

Ismail, A. E.; Rahman, M. Q. Abdul; Ghazali, M. Z. Mohd; Zulafif Rahim, M.; Rasidi Ibrahim, M.; Fahrul Hassan, Mohd; Nor, Nik Hisyamudin Muhd; Ariffin, A. M. T.; Zaini Yunos, Muhamad

2017-08-01

The solutions of stress intensity factors (SIFs) for slanted cracks in plain strain plate are hard to find in open literature. There are some previous solutions of SIFs available, however the studies are not completed except for the case of plain stress. The slanted cracks are modelled numerically using ANSYS finite element program. There are ten slanted angles and seven relative crack depths are used and the plate contains cracks which is assumed to fulfil the plain strain condition. The plate is then stressed under tension and bending loading and the SIFs are determined according to the displacement extrapolation method. Based on the numerical analysis, both slanted angles and relative crack length, a/L played an important role in determining the modes I and II SIFs. As expected the SIFs increased when a/L is increased. Under tension force, the introduction of slanted angles increased the SIFs. Further increment of angles reduced the SIFs however they are still higher than the SIFs obtained using normal cracks. Under bending moment, the present of slanted angles are significantly reduced the SIFs compared with the normal cracks. Under similar loading, mode II SIFs increased as function of a/L and slanted angles where increasing such parameters increasing the mode II SIFs.

Root finding in the complex plane for seismo-acoustic propagation scenarios with Green's function solutions.

PubMed

McCollom, Brittany A; Collis, Jon M

2014-09-01

A normal mode solution to the ocean acoustic problem of the Pekeris waveguide with an elastic bottom using a Green's function formulation for a compressional wave point source is considered. Analytic solutions to these types of waveguide propagation problems are strongly dependent on the eigenvalues of the problem; these eigenvalues represent horizontal wavenumbers, corresponding to propagating modes of energy. The eigenvalues arise as singularities in the inverse Hankel transform integral and are specified by roots to a characteristic equation. These roots manifest themselves as poles in the inverse transform integral and can be both subtle and difficult to determine. Following methods previously developed [S. Ivansson et al., J. Sound Vib. 161 (1993)], a root finding routine has been implemented using the argument principle. Using the roots to the characteristic equation in the Green's function formulation, full-field solutions are calculated for scenarios where an acoustic source lies in either the water column or elastic half space. Solutions are benchmarked against laboratory data and existing numerical solutions.

KAM for Beating Solutions of the Quintic NLS

NASA Astrophysics Data System (ADS)

Haus, E.; Procesi, M.

2017-09-01

We consider the nonlinear Schrödinger equation of degree five on the circle T= R / 2π}. We prove the existence of quasi-periodic solutions with four frequencies which bifurcate from "resonant" solutions [studied in Grébert and Thomann (Ann Inst Henri Poincaré Anal Non Linéaire 29(3):455-477, 2012)] of the system obtained by truncating the Hamiltonian after one step of Birkhoff normal form, exhibiting recurrent exchange of energy between some Fourier modes. The existence of these quasi-periodic solutions is a purely nonlinear effect.

Gravitational waves from quasinormal modes of a class of Lorentzian wormholes

NASA Astrophysics Data System (ADS)

Aneesh, S.; Bose, Sukanta; Kar, Sayan

2018-06-01

Quasinormal modes of a two-parameter family of Lorentzian wormhole spacetimes, which arise as solutions in a specific scalar-tensor theory associated with braneworld gravity, are obtained using standard numerical methods. Being solutions in a scalar-tensor theory, these wormholes can exist with matter satisfying the weak energy condition. If one posits that the end-state of stellar-mass binary black hole mergers, of the type observed in GW150914, can be these wormholes, then we show how their properties can be measured from their distinct signatures in the gravitational waves emitted by them as they settle down in the postmerger phase from an initially perturbed state. We propose that their scalar quasinormal modes correspond to the so-called breathing modes, which normally arise in gravitational wave solutions in scalar-tensor theories. We show how the frequency and damping time of these modes depend on the wormhole parameters, including its mass. We derive the mode solutions and use them to determine how one can measure those parameters when these wormholes are the endstate of binary black hole mergers. Specifically, we find that if a breathing mode is observed in LIGO-like detectors with design sensitivity, and has a maximum amplitude equal to that of the tensor mode that was observed of GW150914, then for a range of values of the wormhole parameters, we will be able to discern it from a black hole. If in future observations we are able to confirm the existence of such wormholes, we would, at one go, have some indirect evidence of a modified theory of gravity as well as extra spatial dimensions.

Stiffness-generated rigid-body mode shapes for Lanczos eigensolution with SUPORT DOF by way of a MSC/NASTRAN DMAP alter

NASA Technical Reports Server (NTRS)

Abdallah, Ayman A.; Barnett, Alan R.; Widrick, Timothy W.; Manella, Richard T.; Miller, Robert P.

1994-01-01

When using all MSC/NASTRAN eigensolution methods except Lanczos, the analyst can replace the coupled system rigid-body modes calculated within DMAP module READ with mass orthogonalized and normalized rigid-body modes generated from the system stiffness. This option is invoked by defining MSC/NASTRAN r-set degrees of freedom via the SUPORT bulk data card. The newly calculated modes are required if the rigid-body modes calculated by the eigensolver are not 'clean' due to numerical roundoffs in the solution. When performing transient structural dynamic load analysis, the numerical roundoffs can result in inaccurate rigid-body accelerations which affect steady-state responses. Unfortunately, when using the Lanczos method and defining r-set degrees of freedom, the rigid-body modes calculated within DMAP module REIGL are retained. To overcome this limitation and to allow MSC/NASTRAN to handle SUPORT degrees of freedom identically for all eigensolvers, a DMAP Alter has been written which replaces Lanczos-calculated rigid-body modes with stiffness-generated rigid-body modes. The newly generated rigid-body modes are normalized with respect to the system mass and orthogonalized using the Gram-Schmidt technique. This algorithm has been implemented as an enhancement to an existing coupled loads methodology.

The computational analysis and modelling of substitution effects on hydrolysis of formanilides in acidic aqueous solutions

NASA Astrophysics Data System (ADS)

Lukeš, Vladimír; Škorňa, Peter; Michalík, Martin; Klein, Erik

2017-11-01

Various para, meta and ortho substituted formanilides have been theoretically studied. For trans and cis-isomers of non-substituted formanilide, the calculated B3LYP vibration normal modes were analyzed. Substituent effect on the selected normal modes was described and the comparison with the available experimental data is presented. The calculated B3LYP proton affinities were correlated with Hammett constants, Fujita-Nishioka equation and the rate constants of the hydrolysis in 1 M HCl. Found linear dependences allow predictions of dissociation constants (pKBH+) and hydrolysis rate constants. Obtained results indicate that protonation of amide group may represent the rate determining step of acid catalyzed hydrolysis.

Harmonic Dynamics of Proteins: Normal Modes and Fluctuations in Bovine Pancreatic Trypsin Inhibitor

NASA Astrophysics Data System (ADS)

Brooks, Bernard; Karplus, Martin

1983-11-01

A normal mode analysis making use of an empirical potential function including local and nonlocal (nonbonded) interactions is performed for the bovine pancreatic trypsin inhibitor in the full conformational space of the molecule (1,740 degrees of freedom); that is, all bond lengths and angles, as well as dihedral angles, are included for the 580-atom system consisting of all heavy atoms and polar hydrogens. The heavy-atom frequency spectrum shows a dense distribution between 3 and 1,800 cm-1, with 350 modes below 216 cm-1. Most of the low-frequency modes, of which many have significant anharmonic character, are found to be delocalized over the protein. The root-mean-square amplitudes of the atomic fluctuations are calculated at 300 K from the normal modes and compared with those obtained from a solution molecular dynamics simulation based on the same potential function; very good agreement is obtained for the variation in the main-chain fluctuations as a function of residue number, though larger differences occur for the side chains. The fluctuations are generally, though not always, dominated by frequencies below 30 cm-1, in accord with the results of the dynamics simulation. The vibrational contributions to the thermodynamic properties of the protein are calculated as a function of temperature; the effects of perturbations on the spectrum, suggested for ligand or substrate binding, are examined. The analysis demonstrates that, in spite of the anharmonic contributions to the potential, a normal mode description can provide useful results concerning the internal motions of proteins.

Nonlinear feedback in a six-dimensional Lorenz Model: impact of an additional heating term

NASA Astrophysics Data System (ADS)

Shen, B.-W.

2015-03-01

In this study, a six-dimensional Lorenz model (6DLM) is derived, based on a recent study using a five-dimensional (5-D) Lorenz model (LM), in order to examine the impact of an additional mode and its accompanying heating term on solution stability. The new mode added to improve the representation of the steamfunction is referred to as a secondary streamfunction mode, while the two additional modes, that appear in both the 6DLM and 5DLM but not in the original LM, are referred to as secondary temperature modes. Two energy conservation relationships of the 6DLM are first derived in the dissipationless limit. The impact of three additional modes on solution stability is examined by comparing numerical solutions and ensemble Lyapunov exponents of the 6DLM and 5DLM as well as the original LM. For the onset of chaos, the critical value of the normalized Rayleigh number (rc) is determined to be 41.1. The critical value is larger than that in the 3DLM (rc ~ 24.74), but slightly smaller than the one in the 5DLM (rc ~ 42.9). A stability analysis and numerical experiments obtained using generalized LMs, with or without simplifications, suggest the following: (1) negative nonlinear feedback in association with the secondary temperature modes, as first identified using the 5DLM, plays a dominant role in providing feedback for improving the solution's stability of the 6DLM, (2) the additional heating term in association with the secondary streamfunction mode may destabilize the solution, and (3) overall feedback due to the secondary streamfunction mode is much smaller than the feedback due to the secondary temperature modes; therefore, the critical Rayleigh number of the 6DLM is comparable to that of the 5DLM. The 5DLM and 6DLM collectively suggest different roles for small-scale processes (i.e., stabilization vs. destabilization), consistent with the following statement by Lorenz (1972): If the flap of a butterfly's wings can be instrumental in generating a tornado, it can equally well be instrumental in preventing a tornado. The implications of this and previous work, as well as future work, are also discussed.

Nonlinear feedback in a six-dimensional Lorenz model: impact of an additional heating term

NASA Astrophysics Data System (ADS)

Shen, B.-W.

2015-12-01

In this study, a six-dimensional Lorenz model (6DLM) is derived, based on a recent study using a five-dimensional (5-D) Lorenz model (LM), in order to examine the impact of an additional mode and its accompanying heating term on solution stability. The new mode added to improve the representation of the streamfunction is referred to as a secondary streamfunction mode, while the two additional modes, which appear in both the 6DLM and 5DLM but not in the original LM, are referred to as secondary temperature modes. Two energy conservation relationships of the 6DLM are first derived in the dissipationless limit. The impact of three additional modes on solution stability is examined by comparing numerical solutions and ensemble Lyapunov exponents of the 6DLM and 5DLM as well as the original LM. For the onset of chaos, the critical value of the normalized Rayleigh number (rc) is determined to be 41.1. The critical value is larger than that in the 3DLM (rc ~ 24.74), but slightly smaller than the one in the 5DLM (rc ~ 42.9). A stability analysis and numerical experiments obtained using generalized LMs, with or without simplifications, suggest the following: (1) negative nonlinear feedback in association with the secondary temperature modes, as first identified using the 5DLM, plays a dominant role in providing feedback for improving the solution's stability of the 6DLM, (2) the additional heating term in association with the secondary streamfunction mode may destabilize the solution, and (3) overall feedback due to the secondary streamfunction mode is much smaller than the feedback due to the secondary temperature modes; therefore, the critical Rayleigh number of the 6DLM is comparable to that of the 5DLM. The 5DLM and 6DLM collectively suggest different roles for small-scale processes (i.e., stabilization vs. destabilization), consistent with the following statement by Lorenz (1972): "If the flap of a butterfly's wings can be instrumental in generating a tornado, it can equally well be instrumental in preventing a tornado." The implications of this and previous work, as well as future work, are also discussed.

Equations for normal-mode statistics of sound scattering by a rough elastic boundary in an underwater waveguide, including backscattering.

PubMed

Morozov, Andrey K; Colosi, John A

2017-09-01

Underwater sound scattering by a rough sea surface, ice, or a rough elastic bottom is studied. The study includes both the scattering from the rough boundary and the elastic effects in the solid layer. A coupled mode matrix is approximated by a linear function of one random perturbation parameter such as the ice-thickness or a perturbation of the surface position. A full two-way coupled mode solution is used to derive the stochastic differential equation for the second order statistics in a Markov approximation.

Linear stability analysis of detonations via numerical computation and dynamic mode decomposition

NASA Astrophysics Data System (ADS)

Kabanov, Dmitry I.; Kasimov, Aslan R.

2018-03-01

We introduce a new method to investigate linear stability of gaseous detonations that is based on an accurate shock-fitting numerical integration of the linearized reactive Euler equations with a subsequent analysis of the computed solution via the dynamic mode decomposition. The method is applied to the detonation models based on both the standard one-step Arrhenius kinetics and two-step exothermic-endothermic reaction kinetics. Stability spectra for all cases are computed and analyzed. The new approach is shown to be a viable alternative to the traditional normal-mode analysis used in detonation theory.

Ideal and resistive plasma resistive wall modes and control: linear and nonlinear

NASA Astrophysics Data System (ADS)

Finn, J. M.; Chacon, L.

2004-11-01

Our recent work* on control of linear and nonlinear resistive wall modes (RWM) showed that if there is an ideal plasma mode and a resistive plasma mode, and if the beta limit for the latter is lower (as is typical), then nonlinear resistive wall modes behave basically as nonlinear tearing-like modes locked to the wall. We investigate here the effect of plasma rotation sufficient to stabilize the resistive-plasma RWM but not the ideal plasma RWM. We also review results** showing the effect of normal and poloidal magnetic field sensing, and describe a simple model which is amenable to analytic solution, and which makes previously obtained simulation results transparent. *J. Finn and L. Chacon, 'Control of linear and nonlinear resistive wall modes', Phys. Plas 11, 1866 (2004). **J. Finn, 'Control of resistive wall modes in a cylindrical tokamak with radial and poloidal magnetic field sensors', to appear in Phys. Plasmas, 2004.

A mechanism for magnetospheric substorms

NASA Technical Reports Server (NTRS)

Erickson, G. M.; Heinemann, M.

1994-01-01

Energy-principle analysis performed on two-dimensional, self-consistent solutions for magnetospheric convection indicates that the magnetosphere is unstable to isobaric (yet still frozen-in) fluctuations of plasma-sheet flux tubes. Normally, pdV work associated with compression maintains stability of the inward/outward oscillating normal mode. However, if Earth's ionosphere can provide sufficient mass flux, isobaric expansion of flux tubes can occur. The growth of a field-aligned potential drop in the near-Earth, midnight portion of the plasma sheet, associated with upward field-aligned currents responsible for the Harang discontinuity, redistributes plasma along field lines in a manner that destabilizes the normal mode. The growth of this unstable mode results in an out-of-equilibrium situation near the inner edge. When this occurs over a downtail extent comparable to the half-thickness of the plasma sheet, collapse ensues and forces thinning of the plasma sheet whereby conditions favorable to reconnection occur. This scenario for substorm onset is consistent with observed upward fluxes of ions, parallel potential drops, and observations of substorm onset. These observations include near Earth onset, pseudobreakups, the substorm current wedge, and local variations of plasma-sheet thickness.

Mode I stress intensity factors of slanted cracks in plates

NASA Astrophysics Data System (ADS)

Ismail, Al Emran; Ghazali, Mohd Zubir Mohd; Nor, Nik Hisyamudin Muhd

2017-01-01

This paper presents the roles of slanted cracks on the stress intensity factors (SIF) under mode I tension and bending loading. Based on the literature survey, lack of solution of SIFs of slanted cracks in plain strain plates are available. In this work, the cracks are modelled numerically using ANSYS finite element program. There are two important parameters such as slanted angles and relative crack length. SIFs at the crack tips are calculated according to domain integral method. Before the model is further used, it is validated with the existing model. It is found that the present model is well agreed with the previous model. According to finite element analysis, there are not only mode I SIFs produced but also mode II. As expected the SIFs increased as the relative crack length increased. However, when slanted angles are introduced (slightly higher than normal crack), the SIFs increased. Once the angles are further increased, the SIFs decreased gradually however they are still higher than the SIFs of normal cracks. For mode II SIFs, higher the slanted angels higher the SIFs. This is due to the fact that when the cracks are slanted, the cracked plates are not only failed due to mode I but a combination between both modes I and II.

Fully-Coupled Fluid/Structure Vibration Analysis Using MSC/NASTRAN

NASA Technical Reports Server (NTRS)

Fernholz, Christian M.; Robinson, Jay H.

1996-01-01

MSC/NASTRAN's performance in the solution of fully-coupled fluid/structure problems is evaluated. NASTRAN is used to perform normal modes (SOL 103) and forced-response analyses (SOL 108, 111) on cylindrical and cubic fluid/structure models. Bulk data file cards unique to the specification of a fluid element are discussed and analytic partially-coupled solutions are derived for each type of problem. These solutions are used to evaluate NASTRAN's solutions for accuracy. Appendices to this work include NASTRAN data presented in fringe plot form, FORTRAN source code listings written in support of this work, and NASTRAN data file usage requirements for each analysis.

Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.

PubMed

Tanzi, Luana; Ramondo, Fabio; Guidoni, Leonardo

2012-10-18

Using microsolvation models and mixed quantum/classical ab initio molecular dynamics simulations, we investigate the vibrational properties of two azoles in water solution: pyrazole and oxazole. The effects of the water-azole hydrogen bonding are rationalized by an extensive comparison between structural parameters and harmonic frequencies obtained by microsolvation models. Following the effective normal-mode analysis introduced by Martinez et al. [Martinez et al., J. Chem. Phys. 2006, 125, 144106], we identify the vibrational frequencies of the solutes using the decomposition of the vibrational density of states of the gas phase and solution dynamics. The calculated shifts from gas phase to solution are fairly in agreement with the available experimental data.

Vibrational coherence in polar solutions of Zn(II) tetrakis(N-methylpyridyl)porphyrin with Soret-band excitation: rapidly damped intermolecular modes with clustered solvent molecules and slowly damped intramolecular modes from the porphyrin macrocycle.

PubMed

Dillman, Kevin L; Shelly, Katherine R; Beck, Warren F

2009-04-30

Ground-state coherent wavepacket motions arising from intermolecular modes with clustered, first-shell solvent molecules were observed using the femtosecond dynamic absorption technique in polar solutions of Zn(II) meso-tetrakis(N-methylpyridyl)porphyrin (ZnTMPyP) with excitation in the Soret absorption band. As was observed previously in bacteriochlorophyll a solution, the pump-probe transients in ZnTMPyP solutions are weakly modulated by slowly damped (effective damping time gamma > 1 ps) features that are assigned to intramolecular modes, the skeletal normal modes of vibration of the porphyrin. The 40 cm(-1) and 215 cm(-1) modes from the metal-doming and metal-solvent-ligand modes, respectively, are members of this set of modulation components. A slowly damped 2-4 cm(-1) component is assigned to the internal rotation of the N-methylpyridyl rings with respect to the porphyrin macrocycle; this mode obtains strong resonance Raman intensity enhancement from an extensive delocalization of pi-electron density from the porphyrin in the ground state onto the rings in the pi* excited states. The dominant features observed in the pump-probe transients are a pair of rapidly damped (gamma < 250 fs) modulation components arising from intermolecular modes with solvent molecules. This structural assignment is supported by an isotope-dependent shift of the average mode frequencies in methanol and perdeuterated methanol. The solvent dependence of the mean intermolecular mode frequency is consistent with a van der Waals intermolecular potential that has significant contributions only from the London dispersion and induction interactions; ion-dipole or ion-induced-dipole terms do not make large contributions because the pi-electron density is not extensively delocalized onto the N-methylpyridyl rings. The modulation depth associated with the intermolecular modes exhibits a marked dependence on the electronic structure of the solvent that is probably related to the degree of covalency; the strongest modulations are observed in acetonitrile and dimethylsulfoxide. The results strongly support a structural assignment of the low-frequency modes that are coupled to the primary and secondary electron-transfer reactions in photosynthetic reaction centers to intermolecular modes between the redox-active chromophores and first-solvation shell groups from the surrounding protein, and an important additional function of the intermolecular modes in the stabilization of charged intermediates is suggested.

Collective dynamics of lysozyme in water: terahertz absorption spectroscopy and comparison with theory.

PubMed

Xu, Jing; Plaxco, Kevin W; Allen, S James

2006-11-30

To directly measure the low-frequency vibrational modes of proteins in biologically relevant water environment rather than previously explored dry or slightly hydrated phase, we have developed a broadband terahertz spectrometer suitable for strongly attenuating protein solutions. Radiation is provided by harmonic multipliers (up to 0.21 THz), a Gunn oscillator (at 0.139 THz), and the UCSB free-electron lasers (up to 4.8 THz). Our spectrometer combines these intense sources with a sensitive cryogenic detector and a variable path length sample cell to detect radiation after it is attenuated by more than 7 orders of magnitudes by the aqueous sample. Using this spectrometer, we have measured the molar extinction of solvated lysozyme between 0.075 and 3.72 THz (2.5-124 cm(-1)), and we made direct comparison to several published theoretical models based on molecular dynamics simulations and normal-mode analysis. We confirm the existence of dense, overlapping normal modes in the terahertz frequency range. Our observed spectrum, while in rough qualitative agreement with these models, differs in detail. Further, we observe a low-frequency cutoff in terahertz dynamics between 0.2 and 0.3 THz, and we see no evidence of a predicted normal mode at approximately 0.09 THz for the protein.

The Hanging Cord with a Real Tip Mass

ERIC Educational Resources Information Center

Deschaine, J. S.; Suits, B. H.

2008-01-01

Normal mode solutions for the perfectly flexible hanging cord problem have been known for over 200 years. More recently, theoretical results for a hanging cord with a point mass attached were presented. Here the theoretical results are tested experimentally using high-precision techniques which are accessible for use in an introductory laboratory.…

Improved dynamic analysis method using load-dependent Ritz vectors

NASA Technical Reports Server (NTRS)

Escobedo-Torres, J.; Ricles, J. M.

1993-01-01

The dynamic analysis of large space structures is important in order to predict their behavior under operating conditions. Computer models of large space structures are characterized by having a large number of degrees of freedom, and the computational effort required to carry out the analysis is very large. Conventional methods of solution utilize a subset of the eigenvectors of the system, but for systems with many degrees of freedom, the solution of the eigenproblem is in many cases the most costly phase of the analysis. For this reason, alternate solution methods need to be considered. It is important that the method chosen for the analysis be efficient and that accurate results be obtainable. It is important that the method chosen for the analysis be efficient and that accurate results be obtainable. The load dependent Ritz vector method is presented as an alternative to the classical normal mode methods for obtaining dynamic responses of large space structures. A simplified model of a space station is used to compare results. Results show that the load dependent Ritz vector method predicts the dynamic response better than the classical normal mode method. Even though this alternate method is very promising, further studies are necessary to fully understand its attributes and limitations.

Effect of cationic monomer content on polyacrylamide copolymers by frit-inlet asymmetrical flow field-flow fractionation/multi-angle light scattering.

PubMed

Lee, Hyejin; Kim, Jin Yong; Choi, Woonjin; Moon, Myeong Hee

2017-06-23

In this study, ultrahigh-molecular-weight (MW) (>10 7 Da) cationic polyacrylamides (C-PAMs), which are water-soluble polymers used in waste water treatment, were characterized using frit-inlet asymmetrical flow field-flow fractionation coupled with multi-angle light scattering and differential refractive detection. C-PAMs copolymerized with acryloxyethyltrimethyl ammonium chloride (DAC) were prepared by varying the feed amount of cationic monomer, polymerization method (solution vs. emulsion), and degree of branching. The MW of the copolymers prepared using emulsion polymerization (10 7 -10 9 Da) was generally larger than that of copolymers prepared using solution polymerization (4×10 7 -10 8 Da). When the amount of cationic monomer was increased from 10 to 55mol% in solution polymerization, hydrophobic contraction of the core induced formation of more compact C-PAMs. The copolymers prepared using emulsion polymerization formed highly aggregated or supercoil structures owing to increased intermolecular hydrophobic interaction when less cationic monomer was used. However, the MW decreased with increased cationic group content. In addition, C-PAMs larger than ∼10 8 Da prepared using the emulsion method were separated by steric/hyperlayer elution mode while those in the 10 7 -10 8 Da range were analyzed in either normal or steric/hyperlayer mode depending on the decay patterns of field programming. Moreover, branched copolymers were found to be resolved with different elution modes under the same field decay pattern depending on the degree of branching: steric/hyperlayer for low-branching and normal for high-branching C-PAMs. Copyright © 2017 Elsevier B.V. All rights reserved.

Entanglement entropy of electromagnetic edge modes.

PubMed

Donnelly, William; Wall, Aron C

2015-03-20

The vacuum entanglement entropy of Maxwell theory, when evaluated by standard methods, contains an unexpected term with no known statistical interpretation. We resolve this two-decades old puzzle by showing that this term is the entanglement entropy of edge modes: classical solutions determined by the electric field normal to the entangling surface. We explain how the heat kernel regularization applied to this term leads to the negative divergent expression found by Kabat. This calculation also resolves a recent puzzle concerning the logarithmic divergences of gauge fields in 3+1 dimensions.

A Two-Ended Shooting Technique for Calculating Normal Modes in Underwater Acoustic Propagation,

DTIC Science & Technology

1985-09-01

tnad~ I’or Public rL.00uq cmd ina ts 85 12 _ 8 126 UNLIMITED DISTRIBUTION * I ’ National Defence Defense Nationale Research and Bureau de Recherche...d6crit un algorithme de calcul des modes acoustiques normaux en mer. L’algoritbme est applicable & un prof il arbitraire do densit6 et do vitesse du son... profondeur do roncontre au milieu, habituellement pr&s du point do vitesse du son minimum. on amfiliore par it~ration la solution dlesaai jusqu’& ce

Computation of molecular vibrational frequencies using anomalous harmoniclike potentials.

PubMed

Li, Xiangzhu; Paldus, Josef

2009-07-28

The instabilities of Hartree-Fock (HF) solutions at or near the equilibrium geometry of symmetric molecular species imply the existence of broken-symmetry solutions having a lower energy than the corresponding symmetry-adapted ones. Moreover, the distortion of the nuclear framework along the normal modes that are implied by such broken-symmetry solutions results in an anomalous or even singular behavior in the corresponding cuts of the potential energy surface (PES). Using such HF solutions as a reference, these anomalies propagate to a post-HF level and make it impossible to determine reliable harmonic or fundamental vibrational frequencies for such modes by relying on either numerical or analytical differentiation of the PES, requiring instead a numerical integration of the Schrodinger equation for the nuclear motion. This, in turn, requires a detailed knowledge on the PES in a wide range of geometries, necessitating a computation of the potential energy function in a large number of points. We present an alternative approach to this problem, referred to as the integral averaging method (IAM), which facilitates this task by significantly reducing the number of geometries for which one has to compute the potential energy while yielding results of practically the same accuracy as the solution of the Schrodinger equation. The IAM is applied to several ABA-type triatomics and to the allyl radical, whose asymmetric stretching mode potential suffers from an anomalous behavior due to the spin-preserving instabilities in restricted open-shell HF solutions.

Multi-modal vibration amplitudes of taut inclined cables due to direct and/or parametric excitation

NASA Astrophysics Data System (ADS)

Macdonald, J. H. G.

2016-02-01

Cables are often prone to potentially damaging large amplitude vibrations. The dynamic excitation may be from external loading or motion of the cable ends, the latter including direct excitation, normally from components of end motion transverse to the cable, and parametric excitation induced by axial components of end motion causing dynamic tension variations. Geometric nonlinearity can be important, causing stiffening behaviour and nonlinear modal coupling. Previous analyses of the vibrations, often neglecting sag, have generally dealt with direct and parametric excitation separately or have reverted to numerical solutions of the responses. Here a nonlinear cable model is adopted, applicable to taut cables such as on cable-stayed bridges, that allows for cable inclination, small sag (such that the vibration modes are similar to those of a taut string), multiple modes in both planes and end motion and/or external forcing close to any natural frequency. Based on the method of scaling and averaging it is found that, for sinusoidal inputs and positive damping, non-zero steady state responses can only occur in the modes in each plane with natural frequencies close to the excitation frequency and those with natural frequencies close to half this frequency. Analytical solutions, in the form of non-dimensional polynomial equations, are derived for the steady state vibration amplitudes in up to three modes simultaneously: the directly excited mode, the corresponding nonlinearly coupled mode in the orthogonal plane and a parametrically excited mode with half the natural frequency. The stability of the solutions is also identified. The outputs of the equations are consistent with previous results, where available. Example results from the analytical solutions are presented for a typical inclined bridge cable subject to vertical excitation of the lower end, and they are validated by numerical integration of the equations of motion and against some previous experimental results. It is shown that the modal interactions and sag (although very small) affect the responses significantly.

Strain partitioning and deformation mode analysis of the normal faults at Red Mountain, Birmingham, Alabama

NASA Astrophysics Data System (ADS)

Wu, Schuman

1989-12-01

In a low-temperature environment, the thin-section scale rock-deformation mode is primarily a function of confining pressure and total strain at geological strain rates. A deformation mode diagram is constructed from published experimental data by plotting the deformation mode on a graph of total strain versus the confining pressure. Four deformation modes are shown on the diagram: extensional fracturing, mesoscopic faulting, incipient faulting, and uniform flow. By determining the total strain and the deformation mode of a naturally deformed sample, the confining pressure and hence the depth at which the rock was deformed can be evaluated. The method is applied to normal faults exposed on the gently dipping southeast limb of the Birmingham anticlinorium in the Red Mountain expressway cut in Birmingham, Alabama. Samples of the Ordovician Chickamauga Limestone within and adjacent to the faults contain brittle structures, including mesoscopic faults and veins, and ductile deformation features including calcite twins, intergranular and transgranular pressure solution, and deformed burrows. During compaction, a vertical shortening of about 45 to 80% in shale is indicated by deformed burrows and relative compaction of shale to burrows, about 6% in limestone by stylolites. The normal faults formed after the Ordovician rocks were consolidated because the faults and associated veins truncate the deformed burrows and stylolites, which truncate the calcite cement. A total strain of 2.0% was caused by mesoscopic faults during normal faulting. A later homogenous deformation, indicated by the calcite twins in veins, cement and fossil fragments, has its major principal shortening strain in the dip direction at a low angle (about 22°) to bedding. The strain magnitude is about 2.6%. By locating the observed data on the deformation mode diagram, it is found that the normal faulting characterized by brittle deformation occurred under low confining pressure (< 18 MPa) at shallow depth (< 800 m), and the homogenous horizontal compression characterized by uniform flow occurred under higher confining pressure (at least 60 MPa) at greater depth (> 2.5 km).

CSM solutions of rotating blade dynamics using integrating matrices

NASA Technical Reports Server (NTRS)

Lakin, William D.

1992-01-01

The dynamic behavior of flexible rotating beams continues to receive considerable research attention as it constitutes a fundamental problem in applied mechanics. Further, beams comprise parts of many rotating structures of engineering significance. A topic of particular interest at the present time involves the development of techniques for obtaining the behavior in both space and time of a rotor acted upon by a simple airload loading. Most current work on problems of this type use solution techniques based on normal modes. It is certainly true that normal modes cannot be disregarded, as knowledge of natural blade frequencies is always important. However, the present work has considered a computational structural mechanics (CSM) approach to rotor blade dynamics problems in which the physical properties of the rotor blade provide input for a direct numerical solution of the relevant boundary-and-initial-value problem. Analysis of the dynamics of a given rotor system may require solution of the governing equations over a long time interval corresponding to many revolutions of the loaded flexible blade. For this reason, most of the common techniques in computational mechanics, which treat the space-time behavior concurrently, cannot be applied to the rotor dynamics problem without a large expenditure of computational resources. By contrast, the integrating matrix technique of computational mechanics has the ability to consistently incorporate boundary conditions and 'remove' dependence on a space variable. For problems involving both space and time, this feature of the integrating matrix approach thus can generate a 'splitting' which forms the basis of an efficient CSM method for numerical solution of rotor dynamics problems.

Far infrared spectra of solid state aliphatic amino acids in different protonation states

NASA Astrophysics Data System (ADS)

Trivella, Aurélien; Gaillard, Thomas; Stote, Roland H.; Hellwig, Petra

2010-03-01

Far infrared spectra of zwitterionic, cationic, and anionic forms of aliphatic amino acids in solid state have been studied experimentally. Measurements were done on glycine, L-alanine, L-valine, L-leucine, and L-isoleucine powder samples and film samples obtained from dried solutions prepared at pH ranging from 1 to 13. Solid state density functional theory calculations were also performed, and detailed potential energy distributions were obtained from normal mode results. A good correspondence between experimental and simulated spectra was achieved and this allowed us to propose an almost complete band assignment for the far infrared spectra of zwitterionic forms. In the 700-50 cm-1 range, three regions were identified, each corresponding to a characteristic set of normal modes. A first region between 700 and 450 cm-1 mainly contained the carboxylate bending, rocking, and wagging modes as well as the ammonium torsional mode. The 450-250 cm-1 region was representative of backbone and sidechain skeletal bending modes. At last, the low wavenumber zone, below 250 cm-1, was characteristic of carboxylate and skeletal torsional modes and of lattice modes. Assignments are also proposed for glycine cationic and anionic forms, but could not be obtained for all aliphatic amino acids due to the lack of structural data. This work is intended to provide fundamental information for the understanding of peptides vibrational properties.

Weibel instability for a streaming electron, counterstreaming e-e, and e-p plasmas with intrinsic temperature anisotropy

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

Ghorbanalilu, M.; Physics Department, Azarbaijan Shahid Madani University, Tabriz; Sadegzadeh, S.

2014-05-15

The existence of Weibel instability for a streaming electron, counterstreaming electron-electron (e-e), and electron-positron (e-p) plasmas with intrinsic temperature anisotropy is investigated. The temperature anisotropy is included in the directions perpendicular and parallel to the streaming direction. It is shown that the beam mean speed changes the instability mode, for a streaming electron beam, from the classic Weibel to the Weibel-like mode. The analytical and numerical solutions approved that Weibel-like modes are excited for both counterstreaming e-e and e-p plasmas. The growth rates of the instabilities in e-e and e-p plasmas are compared. The growth rate is larger for e-pmore » plasmas if the thermal anisotropy is small and the opposite is true for large thermal anisotropies. The analytical and numerical solutions are in good agreement only in the small parallel temperature and wave number limits, when the instability growth rate increases linearly with normalized wave number kc∕ω{sub p}.« less

Terahertz Absorption and Circular Dichroism Spectroscopy of Solvated Biopolymers

NASA Astrophysics Data System (ADS)

Xu, Jing; Plaxco, Kevin; Allen, S. James

2006-03-01

Biopolymers are expected to exhibit broad spectral features in the terahertz frequency range, corresponding to their functionally relevant, global and sub-global collective vibrational modes with ˜ picosecond timescale. Recent advances in terahertz technology have stimulated researchers to employ terahertz absorption spectroscopy to directly probe these postulated collective modes. However, these pioneering studies have been limited to dry and, at best, moist samples. Successful isolation of low frequency vibrational activities of solvated biopolymers in their natural water environment has remained elusive, due to the overwhelming attenuation of the terahertz radiation by water. Here we have developed a terahertz absorption and circular dichroism spectrometer suitable for studying biopolymers in biologically relevant water solutions. We have precisely isolated, for the first time, the terahertz absorption of solvated prototypical proteins, Bovine Serum Albumin and Lysozyme, and made important direct comparison to the existing molecular dynamic simulations and normal mode calculations. We have also successfully demonstrated the magnetic circular dichroism in semiconductors, and placed upper bounds on the terahertz circular dichroism signatures of prototypical proteins in water solution.

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

Xie, T., E-mail: xietao@ustc.edu.cn; Key Laboratory of Geospace Environment, CAS, Hefei, Anhui 230026; Qin, H.

A unified ballooning theory, constructed on the basis of two special theories [Zhang et al., Phys. Fluids B 4, 2729 (1992); Y. Z. Zhang and T. Xie, Nucl. Fusion Plasma Phys. 33, 193 (2013)], shows that a weak up-down asymmetric mode structure is normally formed in an up-down symmetric equilibrium; the weak up-down asymmetry in mode structure is the manifestation of non-trivial higher order effects beyond the standard ballooning equation. It is shown that the asymmetric mode may have even higher growth rate than symmetric modes. The salient features of the theory are illustrated by investigating a fluid model formore » the ion temperature gradient (ITG) mode. The two dimensional (2D) analytical form of the ITG mode, solved in ballooning representation, is then converted into the radial-poloidal space to provide the natural boundary condition for solving the 2D mathematical local eigenmode problem. We find that the analytical expression of the mode structure is in a good agreement with finite difference solution. This sets a reliable framework for quasi-linear computation.« less

How hairpin vortices emerge from exact invariant solutions

NASA Astrophysics Data System (ADS)

Schneider, Tobias M.; Farano, Mirko; de Palma, Pietro; Robinet, Jean-Christoph; Cherubini, Stefania

2017-11-01

Hairpin vortices are among the most commonly observed flow structures in wall-bounded shear flows. However, within the dynamical system approach to turbulence, those structures have not yet been described. They are not captured by known exact invariant solutions of the Navier-Stokes equations nor have other state-space structures supporting hairpins been identified. We show that hairpin structures are observed along an optimally growing trajectory leaving a well known exact traveling wave solution of plane Poiseuille flow. The perturbation triggering hairpins does not correspond to an unstable mode of the exact traveling wave but lies in the stable manifold where non-normality causes strong transient amplification.

Combined effect of matrix cracking and stress-free edge on delamination

NASA Technical Reports Server (NTRS)

Salpekar, S. A.; Obrien, T. K.

1990-01-01

The effect of the stress-free edge on the growth of local delaminations initiating from a matrix crack in (0 sub 2/90 sub 4) sub s and (+ or - 45.90 sub 4) sub s glass epoxy laminates is investigated using 3-D finite element analysis. The presence of high interlaminar normal stresses at the intersection (corner) of the matrix crack with the stress-free edge, suggests that a mode I delamination may initiate at the corners. The strain energy release rates (G) were calculated by modeling a uniform through-width delamination and two inclined delaminations at 10.6 deg and 45 deg to the matrix crack. All components of G have high values near the free edges. The mode I component of G is high at small delamination length and becomes zero for a delamination length of one-ply thickness. The total G values near the free edge agreed well with previously derived closed form solution. The quasi-3D solutions agreed well with the 3-D interior solutions.

Combined effect of matrix cracking and stress-free edge on delamination

NASA Technical Reports Server (NTRS)

Salpekar, Satish A.; O'Brien, T. K.

1991-01-01

The effect of the stress-free edge on the growth of local delaminations initiating from a matrix crack in (O sub 2/90 sub 4) sub s and (+/- 45.90 sub 4) sub s glass epoxy laminates is investigated using 3D finite element analysis. The presence of high interlaminar normal stresses at the intersection (corner) of the matrix crack with the stress-free edge, suggests that a mode I delamination may initiate at the corners. The strain energy release rates (G) were calculated by modeling a uniform through-width delamination and two inclined delaminations at 10.6 deg and 45 deg to the matrix crack. All components of G have high values near the free edges. The mode I component of G is high at small delamination length and becomes zero for a delamination length of one-ply thickness. The total G values near the free edge agreed well with previously derived closed form solution. The quasi-3D solutions agreed well with the 3D interior solutions.

The effect of transverse shear in a cracked plate under skew-symmetric loading

NASA Technical Reports Server (NTRS)

Delale, F.; Erdogan, F.

1979-01-01

The problem of an elastic plate containing a through crack and subjected to twisting moments or transverse shear loads is considered. By using a bending theory which allows the satisfaction of the boundary conditions on the crack surface regarding the normal and the twisting moments and the transverse shear load separately, it is found that the resulting asymptotic stress field around the crack tip becomes identical to that given by the elasticity solutions of the plane strain and antiplane shear problems. The problem is solved for uniformly distributed or concentrated twisting moment or transverse shear load and the normalized Mode II and Mode III stress-intensity factors are tabulated. The results also include the effect of the Poisson's ratio and material orthotropy for specially orthotropic materials on the stress-intensity factors.

Steady, Oscillatory, and Unsteady Subsonic and Supersonic Aerodynamics, production version (SOUSSA-P 1.1). Volume 1: Theoretical manual. [Green function

NASA Technical Reports Server (NTRS)

Morino, L.

1980-01-01

Recent developments of the Green's function method and the computer program SOUSSA (Steady, Oscillatory, and Unsteady Subsonic and Supersonic Aerodynamics) are reviewed and summarized. Applying the Green's function method to the fully unsteady (transient) potential equation yields an integro-differential-delay equation. With spatial discretization by the finite-element method, this equation is approximated by a set of differential-delay equations in time. Time solution by Laplace transform yields a matrix relating the velocity potential to the normal wash. Premultiplying and postmultiplying by the matrices relating generalized forces to the potential and the normal wash to the generalized coordinates one obtains the matrix of the generalized aerodynamic forces. The frequency and mode-shape dependence of this matrix makes the program SOUSSA useful for multiple frequency and repeated mode-shape evaluations.

Generation of dynamo magnetic fields in protoplanetary and other astrophysical accretion disks

NASA Technical Reports Server (NTRS)

Stepinski, T. F.; Levy, E. H.

1988-01-01

A computational method for treating the generation of dynamo magnetic fields in astrophysical disks is presented. The numerical difficulty of handling the boundary condition at infinity in the cylindrical disk geometry is overcome by embedding the disk in a spherical computational space and matching the solutions to analytically tractable spherical functions in the surrounding space. The lowest lying dynamo normal modes for a 'thick' astrophysical disk are calculated. The generated modes found are all oscillatory and spatially localized. Tha potential implications of the results for the properties of dynamo magnetic fields in real astrophysical disks are discussed.

On the absence of reverse running waves in general displacement of lattice vibration in popular books on solid state theory

NASA Astrophysics Data System (ADS)

Xia, Shangda; Lou, Liren

2018-05-01

In this article we point out that there is a deficiency in the presentation of the general solution of harmonic lattice vibration, the omission of half of the allowed running waves, in many popular textbooks published since 1940, e.g. O Madelung’s 1978 Introduction to Solid-State Theory and J Solyom’s 2007 Fundamentals of the Physics of Solids, vol 1. So we provide a revised presentation, which gives a complete general solution and demonstrates clearly that the conventional complex normal coordinate should be a superposition of two coordinates (multiplied by a factor \\sqrt{1/2}) of running waves travelling oppositely along q and -q, not only a coordinate of a unidirectional running wave as many books considered. It is noticed that the book, Quantum Theory of the Solid State: An Introduction, by L Kantorovich, published in 2004, and the review article, ‘Phonons in perfect crystals’ by W Cochran and R A Cowly, published in 1967, for a one-dimensional single-atom chain gave correct (but not normalized) formulae for the general solution of lattice vibration and the normal coordinate. However, both of them stated still that each normal coordinate describes an independent mode of vibration, which in our opinion needs to be further discussed. Moreover, in books such as Fundamentals of the Physics of Solids, vol 1, by J Solyom, and The Physics and Chemistry of Solids, by S R Elliott, published in 2006 and 2007, respectively, the reverse waves were still lost. Hence, we also discuss a few related topics. In quantization of the lattice vibration, the introduction of the conventional two (not one) independent phonon operators in a normal coordinate is closely related to the ‘independence’ of the two constituent waves mentioned above, and we propose a simple propositional relation between the phonon operator and the corresponding running wave coordinate. Moreover, only the coordinate of the superposition wave (not the running wave), as the normal coordinate can give the correct quantization commutation relations. In addition, there is an interference between the direct and reverse running waves in kinetic and potential energies, which also questions the popular term ‘normal mode’ for a running wave mode. Therefore we have made a few suggestions and discuss the terms of relative quantities.

The interplanetary shock of September 24, 1998: Arrival at Earth

NASA Astrophysics Data System (ADS)

Russell, C. T.; Wang, Y. L.; Raeder, J.; Tokar, R. L.; Smith, C. W.; Ogilvie, K. W.; Lazarus, A. J.; Lepping, R. P.; Szabo, A.; Kawano, H.; Mukai, T.; Savin, S.; Yermolaev, Y. I.; Zhou, X.-Y.; Tsurutani, B. T.

2000-11-01

At close to 2345 UT on September 24, 1998, the magnetosphere was suddenly compressed by the passage of an interplanetary shock. In order to properly interpret the magnetospheric events triggered by the arrival of this shock, we calculate the orientation of the shock, its velocity, and its estimated time of arrival at the nose of the magnetosphere. Our best fit shock normal has an orientation of (-0.981 -0.157 -0.112) in solar ecliptic coordinates, a speed of 769 km/s, and an arrival time of 2344:19 at the magnetopause at 10 RE. Since measurements of the solar wind and interplanetary magnetic field are available from multiple spacecraft, we can compare several different techniques of shock-normal determination. Of the single spacecraft techniques the magnetic coplanarity solution is most accurate and the mixed mode solution is of lesser accuracy. Uncertainty in the timing and location of the IMP 8 spacecraft limits the accuracy of solutions using the time of arrival at the position of IMP 8.

Dynamics of active sites in biological macromolecules using a Green-function approach: An application to heme vibrational dynamics in myoglobin

NASA Astrophysics Data System (ADS)

Rai, Brajesh; Prohofsky, Earl

2003-03-01

Dynamics of functionally active regions of biological macromolecules can be studied using a Green-function technique. This approach uses the fact that in most cases one has a good set of force constants for active sites, and rather poorly defined force field parameters for other regions of the macromolecule. The Green-function method is applied to study the iron vibrational modes of the heme active site in myoglobin. In this approach, the heme active site is viewed as a system interacting with surrounding globin, which acts as an excitation bath. The normal modes of heme and globin are separately calculated using the best available force fields for the two entities. The iron vibrational spectrum of myoglobin is then obtained using the solutions of the heme and globin, and by considering physically meaningful interactions between the two units. The refinement of the Green-function calculations to the experimental data from an x-ray synchrotron-based Nuclear Resonance Vibrational Spectroscopy provides important insights into the character of iron normal modes of myoglobin.

The acoustic field of a point source in a uniform boundary layer over an impedance plane

NASA Technical Reports Server (NTRS)

Zorumski, W. E.; Willshire, W. L., Jr.

1986-01-01

The acoustic field of a point source in a boundary layer above an impedance plane is investigated anatytically using Obukhov quasi-potential functions, extending the normal-mode theory of Chunchuzov (1984) to account for the effects of finite ground-plane impedance and source height. The solution is found to be asymptotic to the surface-wave term studies by Wenzel (1974) in the limit of vanishing wind speed, suggesting that normal-mode theory can be used to model the effects of an atmospheric boundary layer on infrasonic sound radiation. Model predictions are derived for noise-generation data obtained by Willshire (1985) at the Medicine Bow wind-turbine facility. Long-range downwind propagation is found to behave as a cylindrical wave, with attention proportional to the wind speed, the boundary-layer displacement thickness, the real part of the ground admittance, and the square of the frequency.

Shear waves in inhomogeneous, compressible fluids in a gravity field.

PubMed

Godin, Oleg A

2014-03-01

While elastic solids support compressional and shear waves, waves in ideal compressible fluids are usually thought of as compressional waves. Here, a class of acoustic-gravity waves is studied in which the dilatation is identically zero, and the pressure and density remain constant in each fluid particle. These shear waves are described by an exact analytic solution of linearized hydrodynamics equations in inhomogeneous, quiescent, inviscid, compressible fluids with piecewise continuous parameters in a uniform gravity field. It is demonstrated that the shear acoustic-gravity waves also can be supported by moving fluids as well as quiescent, viscous fluids with and without thermal conductivity. Excitation of a shear-wave normal mode by a point source and the normal mode distortion in realistic environmental models are considered. The shear acoustic-gravity waves are likely to play a significant role in coupling wave processes in the ocean and atmosphere.

Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations.

PubMed

Soler, Miguel A; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

2017-02-01

Despite the increasing evidence that conformational transitions in peptides and proteins are driven by specific vibrational energy pathways along the molecule, the current experimental techniques of analysis do as yet not allow to study these biophysical processes in terms of anisotropic energy flows. Computational methods offer a complementary approach to obtain a more detailed understanding of the vibrational and conformational dynamics of these systems. Accordingly, in this work we investigate jointly the vibrational energy distribution and the conformational dynamics of trialanine peptide in water solution at room temperature by applying the Instantaneous Normal Mode analysis to the results derived from equilibrium molecular dynamics simulations. It is shown that conformational changes in trialanine are triggered by the vibrational energy accumulated in the low-frequency modes of the molecule, and that excitation is caused exclusively by thermal fluctuations of the solute-solvent system, thus excluding the possibility of an intramolecular vibrational energy redistribution process.

Bushes of vibrational modes for Fermi-Pasta-Ulam chains

NASA Astrophysics Data System (ADS)

Chechin, G. M.; Novikova, N. V.; Abramenko, A. A.

2002-06-01

Some exact solutions and multimode invariant submanifolds were found for the Fermi-Pasta-Ulam (FPU)- β model by Poggi and Ruffo [Physica D 103 (1997) 251]. In the present paper we demonstrate how results of such a type can be obtained for an arbitraryN-particle chain with periodic boundary conditions with the aid of our group-theoretical approach [Physica D 117 (1998) 43] based on the concept of bushes of normal modes in mechanical systems with discrete symmetry. The integro-differential equation describing the FPU- α dynamics in the modal space is derived. The loss of stability of the bushes of modes for the FPU- α model, in particular, for the limiting case N→∞ for the dynamical regime with displacement pattern having period twice the lattice spacing ( π-mode) is studied. Our results for the FPU- α chain are compared with those by Poggi and Ruffo for the FPU- β chain.

Nonlinear cellular dynamics of keratinocytes in normal and psoriatic epidermis under action of UV radiation

NASA Astrophysics Data System (ADS)

Stolnitz, Mikhail M.; Medvedev, Boris A.; Gribko, Tatyana V.

2004-05-01

The semi-phenomenological model of epidermal cell dynamics is submitted. The model takes into account three types of basal layer keratinocytes (stem, transient amplifying, terminally differentiated), distribution of first two types cells on mitotic cycle stages and resting states, keratinocytes-lymphocytes interactions that provide a positive feedback loop, influence of more differentiated cells on their progenitors that provide a negative feedback loop. Simplified model are developed and its stationary solutions are received. The opportunity of interpretation of some received modes as corresponding to various stages of psoriasis is discussed. Influence of UV-radiation on transitions between various modes of epidermis functioning is qualitatively analyzed.

Post-seismic relaxation theory on laterally heterogeneous viscoelastic model

USGS Publications Warehouse

Pollitz, F.F.

2003-01-01

Investigation was carried out into the problem of relaxation of a laterally heterogeneous viscoelastic Earth following an impulsive moment release event. The formal solution utilizes a semi-analytic solution for post-seismic deformation on a laterally homogeneous Earth constructed from viscoelastic normal modes, followed by application of mode coupling theory to derive the response on the aspherical Earth. The solution is constructed in the Laplace transform domain using the correspondence principle and is valid for any linear constitutive relationship between stress and strain. The specific implementation described in this paper is a semi-analytic discretization method which assumes isotropic elastic structure and a Maxwell constitutive relation. It accounts for viscoelastic-gravitational coupling under lateral variations in elastic parameters and viscosity. For a given viscoelastic structure and minimum wavelength scale, the computational effort involved with the numerical algorithm is proportional to the volume of the laterally heterogeneous region. Examples are presented of the calculation of post-seismic relaxation with a shallow, laterally heterogeneous volume following synthetic impulsive seismic events, and they illustrate the potentially large effect of regional 3-D heterogeneities on regional deformation patterns.

Estimation of the mechanical properties of the eye through the study of its vibrational modes

PubMed Central

2017-01-01

Measuring the eye’s mechanical properties in vivo and with minimally invasive techniques can be the key for individualized solutions to a number of eye pathologies. The development of such techniques largely relies on a computational modelling of the eyeball and, it optimally requires the synergic interplay between experimentation and numerical simulation. In Astrophysics and Geophysics the remote measurement of structural properties of the systems of their realm is performed on the basis of (helio-)seismic techniques. As a biomechanical system, the eyeball possesses normal vibrational modes encompassing rich information about its structure and mechanical properties. However, the integral analysis of the eyeball vibrational modes has not been performed yet. Here we develop a new finite difference method to compute both the spheroidal and, specially, the toroidal eigenfrequencies of the human eye. Using this numerical model, we show that the vibrational eigenfrequencies of the human eye fall in the interval 100 Hz–10 MHz. We find that compressible vibrational modes may release a trace on high frequency changes of the intraocular pressure, while incompressible normal modes could be registered analyzing the scattering pattern that the motions of the vitreous humour leave on the retina. Existing contact lenses with embebed devices operating at high sampling frequency could be used to register the microfluctuations of the eyeball shape we obtain. We advance that an inverse problem to obtain the mechanical properties of a given eye (e.g., Young’s modulus, Poisson ratio) measuring its normal frequencies is doable. These measurements can be done using non-invasive techniques, opening very interesting perspectives to estimate the mechanical properties of eyes in vivo. Future research might relate various ocular pathologies with anomalies in measured vibrational frequencies of the eye. PMID:28922351

Estimation of the mechanical properties of the eye through the study of its vibrational modes.

PubMed

Aloy, M Á; Adsuara, J E; Cerdá-Durán, P; Obergaulinger, M; Esteve-Taboada, J J; Ferrer-Blasco, T; Montés-Micó, R

2017-01-01

Measuring the eye's mechanical properties in vivo and with minimally invasive techniques can be the key for individualized solutions to a number of eye pathologies. The development of such techniques largely relies on a computational modelling of the eyeball and, it optimally requires the synergic interplay between experimentation and numerical simulation. In Astrophysics and Geophysics the remote measurement of structural properties of the systems of their realm is performed on the basis of (helio-)seismic techniques. As a biomechanical system, the eyeball possesses normal vibrational modes encompassing rich information about its structure and mechanical properties. However, the integral analysis of the eyeball vibrational modes has not been performed yet. Here we develop a new finite difference method to compute both the spheroidal and, specially, the toroidal eigenfrequencies of the human eye. Using this numerical model, we show that the vibrational eigenfrequencies of the human eye fall in the interval 100 Hz-10 MHz. We find that compressible vibrational modes may release a trace on high frequency changes of the intraocular pressure, while incompressible normal modes could be registered analyzing the scattering pattern that the motions of the vitreous humour leave on the retina. Existing contact lenses with embebed devices operating at high sampling frequency could be used to register the microfluctuations of the eyeball shape we obtain. We advance that an inverse problem to obtain the mechanical properties of a given eye (e.g., Young's modulus, Poisson ratio) measuring its normal frequencies is doable. These measurements can be done using non-invasive techniques, opening very interesting perspectives to estimate the mechanical properties of eyes in vivo. Future research might relate various ocular pathologies with anomalies in measured vibrational frequencies of the eye.

Dynamic modeling and Super-Twisting Sliding Mode Control for Tethered Space Robot

NASA Astrophysics Data System (ADS)

Zhao, Yakun; Huang, Panfeng; Zhang, Fan

2018-02-01

Recent years, tethered space capturing systems have been considered as one of the most promising solutions for active space debris removal due to the increasing threat of space debris to spacecraft and astronauts. In this paper, one of the tethered space capturing systems, Tethered Space Robot (TSR), is investigated. TSR includes a space platform, a space tether, and a gripper as the terminal device. Based on the assumptions that the platform and the gripper are point masses and the tether is rigid, inextensible and remaining straight, the dynamic model of TSR is presented, in which the disturbances from space environment is considered. According to the previous study, the in-plane and out-of-plane angles of the tether oscillate periodically although the tether is released to the desired length. A super-twisting adaptive sliding mode control scheme is designed for TSR to eliminate the vibration of the tether to assure a successful capture in station-keeping phase. Both uncontrolled and controlled situations are simulated. The simulation results show that the proposed controller is effective. Additionally, after comparing with normal sliding mode control algorithm, it is verified that the proposed control scheme can avoid the chattering of normal sliding mode control and is robust for unknown boundary perturbations.

Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme

NASA Astrophysics Data System (ADS)

Zou, Wenli; Kalescky, Robert; Kraka, Elfi; Cremer, Dieter

2012-08-01

Information on the electronic structure of a molecule and its chemical bonds is encoded in the molecular normal vibrational modes. However, normal vibrational modes result from a coupling of local vibrational modes, which means that only the latter can provide detailed insight into bonding and other structural features. In this work, it is proven that the adiabatic internal coordinate vibrational modes of Konkoli and Cremer [Int. J. Quantum Chem. 67, 29 (1998)], 10.1002/(SICI)1097-461X(1998)67:1<29::AID-QUA3>3.0.CO;2-0 represent a unique set of local modes that is directly related to the normal vibrational modes. The missing link between these two sets of modes are the compliance constants of Decius, which turn out to be the reciprocals of the local mode force constants of Konkoli and Cremer. Using the compliance constants matrix, the local mode frequencies of any molecule can be converted into its normal mode frequencies with the help of an adiabatic connection scheme that defines the coupling of the local modes in terms of coupling frequencies and reveals how avoided crossings between the local modes lead to changes in the character of the normal modes.

Normal modes of the shallow water system on the cubed sphere

NASA Astrophysics Data System (ADS)

Kang, H. G.; Cheong, H. B.; Lee, C. H.

2017-12-01

Spherical harmonics expressed as the Rossby-Haurwitz waves are the normal modes of non-divergent barotropic model. Among the normal modes in the numerical models, the most unstable mode will contaminate the numerical results, and therefore the investigation of normal mode for a given grid system and a discretiztaion method is important. The cubed-sphere grid which consists of six identical faces has been widely adopted in many atmospheric models. This grid system is non-orthogonal grid so that calculation of the normal mode is quiet challenge problem. In the present study, the normal modes of the shallow water system on the cubed sphere discretized by the spectral element method employing the Gauss-Lobatto Lagrange interpolating polynomials as orthogonal basis functions is investigated. The algebraic equations for the shallow water equation on the cubed sphere are derived, and the huge global matrix is constructed. The linear system representing the eigenvalue-eigenvector relations is solved by numerical libraries. The normal mode calculated for the several horizontal resolution and lamb parameters will be discussed and compared to the normal mode from the spherical harmonics spectral method.

PIC simulations of a three component plasma described by Kappa distribution functions as observed in Saturn's magnetosphere

NASA Astrophysics Data System (ADS)

Barbosa, Marcos; Alves, Maria Virginia; Simões Junior, Fernando

2016-04-01

In plasmas out of thermodynamic equilibrium the particle velocity distribution can be described by the so called Kappa distribution. These velocity distribution functions are a generalization of the Maxwellian distribution. Since 1960, Kappa velocity distributions were observed in several regions of interplanetary space and astrophysical plasmas. Using KEMPO1 particle simulation code, modified to introduce Kappa distribution functions as initial conditions for particle velocities, the normal modes of propagation were analyzed in a plasma containing two species of electrons with different temperatures and densities and ions as a third specie.This type of plasma is usually found in magnetospheres such as in Saturn. Numerical solutions for the dispersion relation for such a plasma predict the presence of an electron-acoustic mode, besides the Langmuir and ion-acoustic modes. In the presence of an ambient magnetic field, the perpendicular propagation (Bernstein mode) also changes, as compared to a Maxwellian plasma, due to the Kappa distribution function. Here results for simulations with and without external magnetic field are presented. The parameters for the initial conditions in the simulations were obtained from the Cassini spacecraft data. Simulation results are compared with numerical solutions of the dispersion relation obtained in the literature and they are in good agreement.

The automated multi-stage substructuring system for NASTRAN

NASA Technical Reports Server (NTRS)

Field, E. I.; Herting, D. N.; Herendeen, D. L.; Hoesly, R. L.

1975-01-01

The substructuring capability developed for eventual installation in Level 16 is now operational in a test version of NASTRAN. Its features are summarized. These include the user-oriented, Case Control type control language, the automated multi-stage matrix processing, the independent direct access data storage facilities, and the static and normal modes solution capabilities. A complete problem analysis sequence is presented with card-by-card description of the user input.

Approximate solution of the mode-mode coupling integral: Application to cytosine and its deuterated derivative.

PubMed

Rasheed, Tabish; Ahmad, Shabbir

2010-10-01

Ab initio Hartree-Fock (HF), density functional theory (DFT) and second-order Møller-Plesset (MP2) methods were used to perform harmonic and anharmonic calculations for the biomolecule cytosine and its deuterated derivative. The anharmonic vibrational spectra were computed using the vibrational self-consistent field (VSCF) and correlation-corrected vibrational self-consistent field (CC-VSCF) methods. Calculated anharmonic frequencies have been compared with the argon matrix spectra reported in literature. The results were analyzed with focus on the properties of anharmonic couplings between pair of modes. A simple and easy to use formula for calculation of mode-mode coupling magnitudes has been derived. The key element in present approach is the approximation that only interactions between pairs of normal modes have been taken into account, while interactions of triples or more are neglected. FTIR and Raman spectra of solid state cytosine have been recorded in the regions 400-4000 cm(-1) and 60-4000 cm(-1), respectively. Vibrational analysis and assignments are based on calculated potential energy distribution (PED) values. Copyright 2010 Elsevier B.V. All rights reserved.

Small-angle solution scattering using the mixed-mode pixel array detector.

PubMed

Koerner, Lucas J; Gillilan, Richard E; Green, Katherine S; Wang, Suntao; Gruner, Sol M

2011-03-01

Solution small-angle X-ray scattering (SAXS) measurements were obtained using a 128 × 128 pixel X-ray mixed-mode pixel array detector (MMPAD) with an 860 µs readout time. The MMPAD offers advantages for SAXS experiments: a pixel full-well of >2 × 10(7) 10 keV X-rays, a maximum flux rate of 10(8) X-rays pixel(-1) s(-1), and a sub-pixel point-spread function. Data from the MMPAD were quantitatively compared with data from a charge-coupled device (CCD) fiber-optically coupled to a phosphor screen. MMPAD solution SAXS data from lysozyme solutions were of equal or better quality than data captured by the CCD. The read-noise (normalized by pixel area) of the MMPAD was less than that of the CCD by an average factor of 3.0. Short sample-to-detector distances were required owing to the small MMPAD area (19.2 mm × 19.2 mm), and were revealed to be advantageous with respect to detector read-noise. As predicted by the Shannon sampling theory and confirmed by the acquisition of lysozyme solution SAXS curves, the MMPAD at short distances is capable of sufficiently sampling a solution SAXS curve for protein shape analysis. The readout speed of the MMPAD was demonstrated by continuously monitoring lysozyme sample evolution as radiation damage accumulated. These experiments prove that a small suitably configured MMPAD is appropriate for time-resolved solution scattering measurements.

Small-angle solution scattering using the mixed-mode pixel array detector

PubMed Central

Koerner, Lucas J.; Gillilan, Richard E.; Green, Katherine S.; Wang, Suntao; Gruner, Sol M.

2011-01-01

Solution small-angle X-ray scattering (SAXS) measurements were obtained using a 128 × 128 pixel X-ray mixed-mode pixel array detector (MMPAD) with an 860 µs readout time. The MMPAD offers advantages for SAXS experiments: a pixel full-well of >2 × 107 10 keV X-rays, a maximum flux rate of 108 X-rays pixel−1 s−1, and a sub-pixel point-spread function. Data from the MMPAD were quantitatively compared with data from a charge-coupled device (CCD) fiber-optically coupled to a phosphor screen. MMPAD solution SAXS data from lysozyme solutions were of equal or better quality than data captured by the CCD. The read-noise (normalized by pixel area) of the MMPAD was less than that of the CCD by an average factor of 3.0. Short sample-to-detector distances were required owing to the small MMPAD area (19.2 mm × 19.2 mm), and were revealed to be advantageous with respect to detector read-noise. As predicted by the Shannon sampling theory and confirmed by the acquisition of lysozyme solution SAXS curves, the MMPAD at short distances is capable of sufficiently sampling a solution SAXS curve for protein shape analysis. The readout speed of the MMPAD was demonstrated by continuously monitoring lysozyme sample evolution as radiation damage accumulated. These experiments prove that a small suitably configured MMPAD is appropriate for time-resolved solution scattering measurements. PMID:21335900

Normal mode study of the earth's rigid body motions

NASA Technical Reports Server (NTRS)

Chao, B. F.

1983-01-01

In this paper it is shown that the earth's rigid body (rb) motions can be represented by an analytical set of eigensolutions to the equation of motion for elastic-gravitational free oscillations. Thus each degree of freedom in the rb motion is associated with a rb normal mode. Cases of both nonrotating and rotating earth models are studied, and it is shown that the rb modes do incorporate neatly into the earth's system of normal modes of free oscillation. The excitation formula for the rb modes are also obtained, based on normal mode theory. Physical implications of the results are summarized and the fundamental differences between rb modes and seismic modes are emphasized. In particular, it is ascertained that the Chandler wobble, being one of the rb modes belonging to the rotating earth, can be studied using the established theory of normal modes.

Probabilistic estimation of splitting coefficients of normal modes of the Earth, and their uncertainties, using an autoregressive technique

NASA Astrophysics Data System (ADS)

Pachhai, S.; Masters, G.; Laske, G.

2017-12-01

Earth's normal-mode spectra are crucial to studying the long wavelength structure of the Earth. Such observations have been used extensively to estimate "splitting coefficients" which, in turn, can be used to determine the three-dimensional velocity and density structure. Most past studies apply a non-linear iterative inversion to estimate the splitting coefficients which requires that the earthquake source is known. However, it is challenging to know the source details, particularly for big events as used in normal-mode analyses. Additionally, the final solution of the non-linear inversion can depend on the choice of damping parameter and starting model. To circumvent the need to know the source, a two-step linear inversion has been developed and successfully applied to many mantle and core sensitive modes. The first step takes combinations of the data from a single event to produce spectra known as "receiver strips". The autoregressive nature of the receiver strips can then be used to estimate the structure coefficients without the need to know the source. Based on this approach, we recently employed a neighborhood algorithm to measure the splitting coefficients for an isolated inner-core sensitive mode (13S2). This approach explores the parameter space efficiently without any need of regularization and finds the structure coefficients which best fit the observed strips. Here, we implement a Bayesian approach to data collected for earthquakes from early 2000 and more recent. This approach combines the data (through likelihood) and prior information to provide rigorous parameter values and their uncertainties for both isolated and coupled modes. The likelihood function is derived from the inferred errors of the receiver strips which allows us to retrieve proper uncertainties. Finally, we apply model selection criteria that balance the trade-offs between fit (likelihood) and model complexity to investigate the degree and type of structure (elastic and anelastic) required to explain the data.

Modeling backbone flexibility to achieve sequence diversity: The design of novel alpha-helical ligands for Bcl-xL

PubMed Central

Fu, Xiaoran; Apgar, James R.; Keating, Amy E.

2007-01-01

Computational protein design can be used to select sequences that are compatible with a fixed-backbone template. This strategy has been used in numerous instances to engineer novel proteins. However, the fixed-backbone assumption severely restricts the sequence space that is accessible via design. For challenging problems, such as the design of functional proteins, this may not be acceptable. In this paper, we present a method for introducing backbone flexibility into protein design calculations and apply it to the design of diverse helical BH3 ligands that bind to the anti-apoptotic protein Bcl-xL, a member of the Bcl-2 protein family. We demonstrate how normal mode analysis can be used to sample different BH3 backbones, and show that this leads to a larger and more diverse set of low-energy solutions than can be achieved using a native high-resolution Bcl-xL complex crystal structure as a template. We tested several of the designed solutions experimentally and found that this approach worked well when normal mode calculations were used to deform a native BH3 helix structure, but less well when they were used to deform an idealized helix. A subsequent round of design and testing identified a likely source of the problem as inadequate sampling of the helix pitch. In all, we tested seventeen designed BH3 peptide sequences, including several point mutants. Of these, eight bound well to Bcl-xL and four others showed weak but detectable binding. The successful designs showed a diversity of sequences that would have been difficult or impossible to achieve using only a fixed backbone. Thus, introducing backbone flexibility via normal mode analysis effectively broadened the set of sequences identified by computational design, and provided insight into positions important for binding Bcl-xL. PMID:17597151

Surface plasmon polaritons and waveguide modes at structured and inhomogeneous surfaces

NASA Astrophysics Data System (ADS)

Polanco, Javier

In chapter 1, properties of a p-polarized surface plasmon polariton are studied, propagating circumferentially around a portion of a cylindrical interface between vacuum and a metal, a situation investigated earlier by M. V. Berry (J. Phys. A: Math. Gen. 8, (1975) 1952). When the metal is convex toward the vacuum this mode is radiative and consequently is attenuated as it propagates on the cylindrical surface. An approximate analytic solution of the dispersion relation for this wave is obtained by an approach different from the one used by Berry, and plots of the real and imaginary parts of its wave number are presented. When the metal is concave to the vacuum, the resulting dispersion relation possesses a multiplicity of solutions that have the nature of waveguide modes that owe their existence to the curvature of the interface. In chapter 2, the reduced Rayleigh equation for the scattering of a surface plasmon polariton incident normally on a one-dimensional ridge or groove on an otherwise planar metal surface is solved by a purely numerical approach. The solution is used to calculate the reflectivity and transmissivity of the surface plasmon polariton, and its conversion into volume electromagnetic waves in the vacuum above the metal surface. The results obtained are compared with those of earlier calculations of these quantities. In chapter 3, the results of the previous chapter are extended to the scattering of a surface plasmon polariton incident non-normally on a one-dimensional ridge or groove on an otherwise planar metal surface. As before, the reflectivity and transmissivity of the surface plasmon polariton are calculated, and its conversion into volume electromagnetic waves in the vacuum above the metal surface. In chapter 4, the dynamics of the scattering of surface plasmon polariton (SPP) pulses are investigated theoretically, by single nanoscale metal Gaussian defects through a rigorous calculation of the time dependence of the reflected and transmitted SPP and of the angular distribution of the scattered light.

Extended DBI massive gravity with generalized fiducial metric

NASA Astrophysics Data System (ADS)

Chullaphan, Tossaporn; Tannukij, Lunchakorn; Wongjun, Pitayuth

2015-06-01

We consider an extended model of DBI massive gravity by generalizing the fiducial metric to be an induced metric on the brane corresponding to a domain wall moving in five-dimensional Schwarzschild-Anti-de Sitter spacetime. The model admits all solutions of FLRW metric including flat, closed and open geometries while the original one does not. The background solutions can be divided into two branches namely self-accelerating branch and normal branch. For the self-accelerating branch, the graviton mass plays the role of cosmological constant to drive the late-time acceleration of the universe. It is found that the number degrees of freedom of gravitational sector is not correct similar to the original DBI massive gravity. There are only two propagating degrees of freedom from tensor modes. For normal branch, we restrict our attention to a particular class of the solutions which provides an accelerated expansion of the universe. It is found that the number of degrees of freedom in the model is correct. However, at least one of them is ghost degree of freedom which always present at small scale implying that the theory is not stable.

Self-association of caffeine in aqueous solution. Study of dilute solutions by normal and second derivative UV absorption spectroscopy.

NASA Astrophysics Data System (ADS)

Iza, N.; Gil, M.; Montero, J. L.; Morcillo, J.

1988-05-01

The concentration dependence of the spectral parameters of caffeine bands at ˜205 and 273 nm has been studied in aqueous solution by normal and second derivative spectroscopy. The concentration range was 5 x 10 -6 - 5 x 10 -3 M and thirty-five different concentrations were used. Discontinuities in parameter variation of these two bands at ˜7.5 x 10 -5, ˜2 x 10 -4, and ˜1 x 10 -3M were observed as concentration was increased. These "limiting" concentrations define three quite differenciated hyper- or hipochromic effects: the first one can be explained as caffeine-water molecule interaction and the second and third as dimer and (dimer + polymer) stacking, respectively. Apparent self-association constants using the isodesmic model have been obtained K= 160 M -1 (for the second hypochromic effect) and K= 13.6 M -1 (for the third hypochromic effect), for the 273 nm band. It is noteworthy that the three "limiting" concentrations coincide with changes in DNA-caffeine interaction modes (H. Lang , 1976) and biological activity (I.B. Syed , 1976).

Phenomenology in minimal theory of massive gravity

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

Felice, Antonio De; Mukohyama, Shinji; Kavli Institute for the Physics and Mathematics of the Universe

2016-04-15

We investigate the minimal theory of massive gravity (MTMG) recently introduced. After reviewing the original construction based on its Hamiltonian in the vielbein formalism, we reformulate it in terms of its Lagrangian in both the vielbein and the metric formalisms. It then becomes obvious that, unlike previous attempts in the literature of Lorentz-violating massive gravity, not only the potential but also the kinetic structure of the action is modified from the de Rham-Gabadadze-Tolley (dRGT) massive gravity theory. We confirm that the number of physical degrees of freedom in MTMG is two at fully nonlinear level. This proves the absence ofmore » various possible pathologies such as superluminality, acausality and strong coupling. Afterwards, we discuss the phenomenology of MTMG in the presence of a dust fluid. We find that on a flat homogeneous and isotropic background we have two branches. One of them (self-accelerating branch) naturally leads to acceleration without the genuine cosmological constant or dark energy. For this branch both the scalar and the vector modes behave exactly as in general relativity (GR). The phenomenology of this branch differs from GR in the tensor modes sector, as the tensor modes acquire a non-zero mass. Hence, MTMG serves as a stable nonlinear completion of the self-accelerating cosmological solution found originally in dRGT theory. The other branch (normal branch) has a dynamics which depends on the time-dependent fiducial metric. For the normal branch, the scalar mode sector, even though as in GR only one scalar mode is present (due to the dust fluid), differs from the one in GR, and, in general, structure formation will follow a different phenomenology. The tensor modes will be massive, whereas the vector modes, for both branches, will have the same phenomenology as in GR.« less

Normal mode analysis and applications in biological physics.

PubMed

Dykeman, Eric C; Sankey, Otto F

2010-10-27

Normal mode analysis has become a popular and often used theoretical tool in the study of functional motions in enzymes, viruses, and large protein assemblies. The use of normal modes in the study of these motions is often extremely fruitful since many of the functional motions of large proteins can be described using just a few normal modes which are intimately related to the overall structure of the protein. In this review, we present a broad overview of several popular methods used in the study of normal modes in biological physics including continuum elastic theory, the elastic network model, and a new all-atom method, recently developed, which is capable of computing a subset of the low frequency vibrational modes exactly. After a review of the various methods, we present several examples of applications of normal modes in the study of functional motions, with an emphasis on viral capsids.

Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC)2] complex.

PubMed

Téllez S, Claudio A; Costa, Anilton C; Mondragón, M A; Ferreira, Glaucio B; Versiane, O; Rangel, J L; Lima, G Müller; Martin, A A

2016-12-05

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared and Raman spectra of the bis(diethyldithiocarbamate)Mn(II) complex, [Mn(DDTC)2]. The calculations have been based on the DFT/B3LYP method, second derivative spectra and band deconvolution analysis. The UV-vis experimental spectra were measured in acetonitrile solution, and the calculated electronic spectrum was obtained using the TD/B3LYP method with 6-311G(d, p) basis set for all atoms. Charge transfer bands and those d-d spin forbidden were assigned in the UV-vis spectrum. The natural bond orbital analysis was carried out using the DFT/B3LYP method and the Mn(II) hybridization leading to the planar geometry of the framework was discussed. Surface enhanced Raman scattering (SERS) was also performed. Mulliken charges of the normal modes were obtained and related to the SERS enhanced bands. Copyright © 2016 Elsevier B.V. All rights reserved.

Local vibrational modes of the water dimer - Comparison of theory and experiment

NASA Astrophysics Data System (ADS)

Kalescky, R.; Zou, W.; Kraka, E.; Cremer, D.

2012-12-01

Local and normal vibrational modes of the water dimer are calculated at the CCSD(T)/CBS level of theory. The local H-bond stretching frequency is 528 cm-1 compared to a normal mode stretching frequency of just 143 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to mass coupling, a change in the anharmonicity, and coupling with the local HOH bending modes. The local mode stretching force constant is related to the strength of the H-bond whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the H-bond strength.

Perfectly Matched Layer for Linearized Euler Equations in Open and Ducted Domains

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.; Auriault, Laurent; Cambuli, Francesco

1998-01-01

Recently, perfectly matched layer (PML) as an absorbing boundary condition has widespread applications. The idea was first introduced by Berenger for electromagnetic waves computations. In this paper, it is shown that the PML equations for the linearized Euler equations support unstable solutions when the mean flow has a component normal to the layer. To suppress such unstable solutions so as to render the PML concept useful for this class of problems, it is proposed that artificial selective damping terms be added to the discretized PML equations. It is demonstrated that with a proper choice of artificial mesh Reynolds number, the PML equations can be made stable. Numerical examples are provided to illustrate that the stabilized PML performs well as an absorbing boundary condition. In a ducted environment, the wave mode are dispersive. It will be shown that the group velocity and phase velocity of these modes can have opposite signs. This results in a confined environment, PML may not be suitable as an absorbing boundary condition.

Elementary dispersion analysis of some mimetic discretizations on triangular C-grids

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

Korn, P., E-mail: peter.korn@mpimet.mpg.de; Danilov, S.; A.M. Obukhov Institute of Atmospheric Physics, Moscow

2017-02-01

Spurious modes supported by triangular C-grids limit their application for modeling large-scale atmospheric and oceanic flows. Their behavior can be modified within a mimetic approach that generalizes the scalar product underlying the triangular C-grid discretization. The mimetic approach provides a discrete continuity equation which operates on an averaged combination of normal edge velocities instead of normal edge velocities proper. An elementary analysis of the wave dispersion of the new discretization for Poincaré, Rossby and Kelvin waves shows that, although spurious Poincaré modes are preserved, their frequency tends to zero in the limit of small wavenumbers, which removes the divergence noisemore » in this limit. However, the frequencies of spurious and physical modes become close on shorter scales indicating that spurious modes can be excited unless high-frequency short-scale motions are effectively filtered in numerical codes. We argue that filtering by viscous dissipation is more efficient in the mimetic approach than in the standard C-grid discretization. Lumping of mass matrices appearing with the velocity time derivative in the mimetic discretization only slightly reduces the accuracy of the wave dispersion and can be used in practice. Thus, the mimetic approach cures some difficulties of the traditional triangular C-grid discretization but may still need appropriately tuned viscosity to filter small scales and high frequencies in solutions of full primitive equations when these are excited by nonlinear dynamics.« less

Symbolic Computational Approach to the Marangoni Convection Problem With Soret Diffusion

NASA Technical Reports Server (NTRS)

Skarda, J. Raymond

1998-01-01

A recently reported solution for stationary stability of a thermosolutal system with Soret diffusion is re-derived and examined using a symbolic computational package. Symbolic computational languages are well suited for such an analysis and facilitate a pragmatic approach that is adaptable to similar problems. Linearization of the equations, normal mode analysis, and extraction of the final solution are performed in a Mathematica notebook format. An exact solution is obtained for stationary stability in the limit of zero gravity. A closed form expression is also obtained for the location of asymptotes in relevant parameter, (Sm(sub c), Mac(sub c)), space. The stationary stability behavior is conveniently examined within the symbolic language environment. An abbreviated version of the Mathematica notebook is given in the Appendix.

Control logic for exhaust gas driven turbocharger

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

Adeff, G.A.

1991-12-31

This patent describes a method of controlling an exhaust gas driven turbocharger supplying charge air for an internal combustion engine powering vehicle, the turbocharger being adjustable from a normal mode to a power mode in which the charge air available to the engine during vehicle acceleration is increased over that available when the turbocharger is in the normal mode, the vehicle including engine power control means switchable by the vehicle operator from a normal mode to a power mode so that the vehicle operator may selectively elect either the normal mode or the power mode, comprising the steps of measuringmore » the speed of the vehicle, permitting the vehicle operator to elect either the power mode or the normal mode for a subsequent vehicle acceleration, and then adjusting the turbocharger to the power mode when the speed of the vehicle is less than a predetermined reference speed and the vehicle operator has elected to power mode to increase the charge air available to the engine and thereby increasing engine power on a subsequent acceleration of the vehicle.« less

On the nonlinear development of the most unstable Goertler vortex mode

NASA Technical Reports Server (NTRS)

Denier, James P.; Hall, Philip

1991-01-01

The nonlinear development of the most unstable Gortler vortex mode in boundary layer flows over curved walls is investigated. The most unstable Gortler mode is confined to a viscous wall layer of thickness O(G -1/5) and has spanwise wavelength O(G 11/5); it is, of course, most relevant to flow situations where the Gortler number G is much greater than 1. The nonlinear equations covering the evolution of this mode over an O(G -3/5) streamwise lengthscale are derived and are found to be of a fully nonparallel nature. The solution of these equations is achieved by making use of the numerical scheme used by Hall (1988) for the numerical solution of the nonlinear Gortler equations valid for O(1) Gortler numbers. Thus, the spanwise dependence of the flow is described by a Fourier expansion, whereas the streamwise and normal variations of the flow are dealt with by employing a suitable finite difference discretization of the governing equations. Our calculations demonstrate that, given a suitable initial disturbance, after a brief interval of decay, the energy in all the higher harmonics grows until a singularity is encountered at some downstream position. The structure of the flowfield as this singularity is approached suggests that the singularity is responsible for the vortices, which are initially confined to the thin viscous wall layer, moving away from the wall and into the core of the boundary layer.

A boundary element alternating method for two-dimensional mixed-mode fracture problems

NASA Technical Reports Server (NTRS)

Raju, I. S.; Krishnamurthy, T.

1992-01-01

A boundary element alternating method, denoted herein as BEAM, is presented for two dimensional fracture problems. This is an iterative method which alternates between two solutions. An analytical solution for arbitrary polynomial normal and tangential pressure distributions applied to the crack faces of an embedded crack in an infinite plate is used as the fundamental solution in the alternating method. A boundary element method for an uncracked finite plate is the second solution. For problems of edge cracks a technique of utilizing finite elements with BEAM is presented to overcome the inherent singularity in boundary element stress calculation near the boundaries. Several computational aspects that make the algorithm efficient are presented. Finally, the BEAM is applied to a variety of two dimensional crack problems with different configurations and loadings to assess the validity of the method. The method gives accurate stress intensity factors with minimal computing effort.

Vibrational relaxation of I2 in complexing solvents: The role of solvent-solute attractive forces

NASA Astrophysics Data System (ADS)

Shiang, Joseph J.; Liu, Hongjun; Sension, Roseanne J.

1998-12-01

Femtosecond transient absorption studies of I2-arene complexes, with arene=hexamethylbenzene (HMB), mesitylene (MST), or m-xylene (mX), are used to investigate the effect of solvent-solute attractive forces upon the rate of vibrational relaxation in solution. Comparison of measurements on I2-MST complexes in neat mesitylene and I2-MST complexes diluted in carbontetrachloride demonstrate that binary solvent-solute attractive forces control the rate of vibrational relaxation in this prototypical model of diatomic vibrational relaxation. The data obtained for different arenes demonstrate that the rate of I2 relaxation increases with the magnitude of the I2-arene attractive interaction. I2-HMB relaxes much faster than I2 in MST or mX. The results of these experiments are discussed in terms of both isolated binary collision and instantaneous normal mode models for vibrational relaxation.

Large-scale comparison of protein essential dynamics from molecular dynamics simulations and coarse-grained normal mode analyses.

PubMed

Ahmed, Aqeel; Villinger, Saskia; Gohlke, Holger

2010-12-01

A large-scale comparison of essential dynamics (ED) modes from molecular dynamic simulations and normal modes from coarse-grained normal mode methods (CGNM) was performed on a dataset of 335 proteins. As CGNM methods, the elastic network model (ENM) and the rigid cluster normal mode analysis (RCNMA) were used. Low-frequency normal modes from ENM correlate very well with ED modes in terms of directions of motions and relative amplitudes of motions. Notably, a similar performance was found if normal modes from RCNMA were used, despite a higher level of coarse graining. On average, the space spanned by the first quarter of ENM modes describes 84% of the space spanned by the five ED modes. Furthermore, no prominent differences for ED and CGNM modes among different protein structure classes (CATH classification) were found. This demonstrates the general potential of CGNM approaches for describing intrinsic motions of proteins with little computational cost. For selected cases, CGNM modes were found to be more robust among proteins that have the same topology or are of the same homologous superfamily than ED modes. In view of recent evidence regarding evolutionary conservation of vibrational dynamics, this suggests that ED modes, in some cases, might not be representative of the underlying dynamics that are characteristic of a whole family, probably due to insufficient sampling of some of the family members by MD. Copyright © 2010 Wiley-Liss, Inc.

Use of a Microprocessor to Implement an ADCCP Protocol (Federal Std-1003) Operating in the Unbalanced Normal Mode.

DTIC Science & Technology

1980-05-01

andcoptrpormigfrteublne nra ls fpoeue nacrac with Federal Standard 1003 fTelecommunications: Synchronous Bit Oriented Data Link Control Procedures...and the higher level user. The solution to the producer/consumer problem involves the use of PASS and SICHAL primitives and event variables or... semaphores . The event variables have been defined for the LS-microprocessor interface as part of I-1 the internal registers that are included in the F6856

Interfacial wave theory for dendritic structure of a growing needle crystal. I - Local instability mechanism. II - Wave-emission mechanism at the turning point

NASA Technical Reports Server (NTRS)

Xu, Jian-Jun

1989-01-01

The complicated dendritic structure of a growing needle crystal is studied on the basis of global interfacial wave theory. The local dispersion relation for normal modes is derived in a paraboloidal coordinate system using the multiple-variable-expansion method. It is shown that the global solution in a dendrite growth process incorporates the morphological instability factor and the traveling wave factor.

Dynamical response of the Galileo Galilei on the ground rotor to test the equivalence principle: Theory, simulation, and experiment. I. The normal modes

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

Comandi, G.L.; Chiofalo, M.L.; Toncelli, R.

Recent theoretical work suggests that violation of the equivalence principle might be revealed in a measurement of the fractional differential acceleration {eta} between two test bodies-of different compositions, falling in the gravitational field of a source mass--if the measurement is made to the level of {eta}{approx_equal}10{sup -13} or better. This being within the reach of ground based experiments gives them a new impetus. However, while slowly rotating torsion balances in ground laboratories are close to reaching this level, only an experiment performed in a low orbit around the Earth is likely to provide a much better accuracy. We report onmore » the progress made with the 'Galileo Galilei on the ground' (GGG) experiment, which aims to compete with torsion balances using an instrument design also capable of being converted into a much higher sensitivity space test. In the present and following articles (Part I and Part II), we demonstrate that the dynamical response of the GGG differential accelerometer set into supercritical rotation-in particular, its normal modes (Part I) and rejection of common mode effects (Part II)-can be predicted by means of a simple but effective model that embodies all the relevant physics. Analytical solutions are obtained under special limits, which provide the theoretical understanding. A simulation environment is set up, obtaining a quantitative agreement with the available experimental data on the frequencies of the normal modes and on the whirling behavior. This is a needed and reliable tool for controlling and separating perturbative effects from the expected signal, as well as for planning the optimization of the apparatus.« less

Improvements in Block-Krylov Ritz Vectors and the Boundary Flexibility Method of Component Synthesis

NASA Technical Reports Server (NTRS)

Carney, Kelly Scott

1997-01-01

A method of dynamic substructuring is presented which utilizes a set of static Ritz vectors as a replacement for normal eigenvectors in component mode synthesis. This set of Ritz vectors is generated in a recurrence relationship, proposed by Wilson, which has the form of a block-Krylov subspace. The initial seed to the recurrence algorithm is based upon the boundary flexibility vectors of the component. Improvements have been made in the formulation of the initial seed to the Krylov sequence, through the use of block-filtering. A method to shift the Krylov sequence to create Ritz vectors that will represent the dynamic behavior of the component at target frequencies, the target frequency being determined by the applied forcing functions, has been developed. A method to terminate the Krylov sequence has also been developed. Various orthonormalization schemes have been developed and evaluated, including the Cholesky/QR method. Several auxiliary theorems and proofs which illustrate issues in component mode synthesis and loss of orthogonality in the Krylov sequence have also been presented. The resulting methodology is applicable to both fixed and free- interface boundary components, and results in a general component model appropriate for any type of dynamic analysis. The accuracy is found to be comparable to that of component synthesis based upon normal modes, using fewer generalized coordinates. In addition, the block-Krylov recurrence algorithm is a series of static solutions and so requires significantly less computation than solving the normal eigenspace problem. The requirement for less vectors to form the component, coupled with the lower computational expense of calculating these Ritz vectors, combine to create a method more efficient than traditional component mode synthesis.

Normal-mode selectivity in ultrafast Raman excitations in C60

NASA Astrophysics Data System (ADS)

Zhang, G. P.; George, Thomas F.

2006-01-01

Ultrafast Raman spectra are a powerful tool to probe vibrational excitations, but inherently they are not normal-mode specific. For a system as complicated as C60 , there is no general rule to target a specific mode. A detailed study presented here aims to investigate normal-mode selectivity in C60 by an ultrafast laser. To accurately measure mode excitation, we formally introduce the kinetic-energy-based normal-mode analysis which overcomes the difficulty with the strong lattice anharmonicity and relaxation. We first investigate the resonant excitation and find that mode selectivity is normally difficult to achieve. However, for off-resonant excitations, it is possible to selectively excite a few modes in C60 by properly choosing an optimal laser pulse duration, which agrees with previous experimental and theoretical findings. Going beyond the phenomenological explanation, our study shines new light on the origin of the optimal duration: The phase matching between the laser field and mode vibration determines which mode is strongly excited or suppressed. This finding is very robust and should be a useful guide for future experimental and theoretical studies in more complicated systems.

Normal mode selectivity in ultrafast Raman excitations in C60

NASA Astrophysics Data System (ADS)

Zhang, Guoping; George, Thomas F.

2006-05-01

Ultrafast Raman spectra are a powerful tool to probe vibrational excitations, but inherently they are not normal-mode specific. For a system as complicated as C60, there is no general rule to target a specific mode. A detailed study presented here aims to investigate normal mode selectivity in C60 by an ultrafast laser. To accurately measure mode excitation, we formally introduce the kinetic energy-based normal mode analysis which overcomes the difficulty with the strong lattice anharmonicity and relaxation. We first investigate the resonant excitation and find that mode selectivity is normally difficult to achieve. However, for off-resonant excitations, it is possible to selectively excite a few modes in C60 by properly choosing an optimal laser pulse duration, which agrees with previous experimental and theoretical findings. Going beyond the phenomenological explanation, our study shines new light on the origin of the optimal duration: The phase matching between laser field and mode vibration determines which mode is strongly excited or suppressed. This finding is very robust and may be a useful guide for future experimental and theoretical studies in more complicated systems.

Design of a linear projector for use with the normal modes of the GLAS 4th order GCM

NASA Technical Reports Server (NTRS)

Bloom, S. C.

1984-01-01

The design of a linear projector for use with the normal modes of a model of atmospheric circulation is discussed. A central element in any normal mode initialization scheme is the process by which a set of data fields - winds, temperatures or geopotentials, and surface pressures - are expressed ("projected') in terms of the coefficients of a model's normal modes. This process is completely analogous to the Fourier decomposition of a single field (indeed a FFT applied in the zonal direction is a part of the process). Complete separability in all three spatial dimensions is assumed. The basis functions for the modal expansion are given. An important feature of the normal modes is their coupling of the structures of different fields, thus a coefficient in a normal mode expansion would contain both mass and momentum information.

Comparative Investigation of Normal Modes and Molecular Dynamics of Hepatitis C NS5B Protein

NASA Astrophysics Data System (ADS)

Asafi, M. S.; Yildirim, A.; Tekpinar, M.

2016-04-01

Understanding dynamics of proteins has many practical implications in terms of finding a cure for many protein related diseases. Normal mode analysis and molecular dynamics methods are widely used physics-based computational methods for investigating dynamics of proteins. In this work, we studied dynamics of Hepatitis C NS5B protein with molecular dynamics and normal mode analysis. Principal components obtained from a 100 nanoseconds molecular dynamics simulation show good overlaps with normal modes calculated with a coarse-grained elastic network model. Coarse-grained normal mode analysis takes at least an order of magnitude shorter time. Encouraged by this good overlaps and short computation times, we analyzed further low frequency normal modes of Hepatitis C NS5B. Motion directions and average spatial fluctuations have been analyzed in detail. Finally, biological implications of these motions in drug design efforts against Hepatitis C infections have been elaborated.

Computation of Large-Scale Structure Jet Noise Sources With Weak Nonlinear Effects Using Linear Euler

NASA Technical Reports Server (NTRS)

Dahl, Milo D.; Hixon, Ray; Mankbadi, Reda R.

2003-01-01

An approximate technique is presented for the prediction of the large-scale turbulent structure sound source in a supersonic jet. A linearized Euler equations code is used to solve for the flow disturbances within and near a jet with a given mean flow. Assuming a normal mode composition for the wave-like disturbances, the linear radial profiles are used in an integration of the Navier-Stokes equations. This results in a set of ordinary differential equations representing the weakly nonlinear self-interactions of the modes along with their interaction with the mean flow. Solutions are then used to correct the amplitude of the disturbances that represent the source of large-scale turbulent structure sound in the jet.

Feedback instability of the ionospheric resonant cavity

NASA Technical Reports Server (NTRS)

Lysak, Robert L.

1991-01-01

A model is developed that provides a theoretical basis for previous numerical results showing a feedback instability with frequencies characteristic of Alfven travel times within the region of the large increase of Alfven speed above the ionosphere. These results have been extended to arbitrary ionospheric conductivity by developing a numerical solution of the cavity dispersion relation that involves Bessel functions of complex order and argument. It is concluded that the large contrast between the magnetospheric and ionospheric Alfven speed leads to the formation of resonant cavity modes with frequencies ranging from 0.1 to 1 Hz. The presence of the cavity leads to a modification of the reflection characteristics of Alfven waves with frequencies that compare to the cavity's normal modes.

Computational aspects of the nonlinear normal mode initialization of the GLAS 4th order GCM

NASA Technical Reports Server (NTRS)

Navon, I. M.; Bloom, S. C.; Takacs, L.

1984-01-01

Using the normal modes of the GLAS 4th Order Model, a Machenhauer nonlinear normal mode initialization (NLNMI) was carried out for the external vertical mode using the GLAS 4th Order shallow water equations model for an equivalent depth corresponding to that associated with the external vertical mode. A simple procedure was devised which was directed at identifying computational modes by following the rate of increase of BAL sub M, the partial (with respect to the zonal wavenumber m) sum of squares of the time change of the normal mode coefficients (for fixed vertical mode index) varying over the latitude index L of symmetric or antisymmetric gravity waves. A working algorithm is presented which speeds up the convergence of the iterative Machenhauer NLNMI. A 24 h integration using the NLNMI state was carried out using both Matsuno and leap-frog time-integration schemes; these runs were then compared to a 24 h integration starting from a non-initialized state. The maximal impact of the nonlinear normal mode initialization was found to occur 6-10 hours after the initial time.

The Interaction of Turbulence with Parallel and Perpendicular Shocks: Theory and Observations at 1 au

NASA Astrophysics Data System (ADS)

Adhikari, L.; Zank, G. P.; Hunana, P.; Hu, Q.

2016-12-01

Shocks are thought to be responsible for the amplification of turbulence as well as for generating turbulence throughout the heliosphere. We study the interaction of turbulence with parallel and perpendicular shock waves using the six-coupled-equation turbulence transport model of Zank et al. We model a 1D stationary shock wave using a hyperbolic tangent function and the Rankine-Hugoniot conditions for both a reduced model with four coupled equations and the full model. Eight quasi-parallel and five quasi-perpendicular events in the WIND spacecraft data sets are identified, and we compute the fluctuating magnetic and kinetic energy, the energy in forward and backward propagating modes, the total turbulent energy, the normalized residual energy, and the normalized cross helicity upstream and downstream of the observed shocks. We compare the observed fitted values upstream and downstream of the shock with numerical solutions to our model equations. The comparison shows that our theoretical results are in reasonable agreement with observations for both quasi-parallel and perpendicular shocks. We find that (1) the total turbulent energy, the energy in forward and backward propagating modes, and the normalized residual energy increase across the shock, (2) the normalized cross helicity increases or decreases across the shock, and (3) the correlation length increases upstream and downstream of the shock, and slightly flattens or decreases across the shock.

THE INTERACTION OF TURBULENCE WITH PARALLEL AND PERPENDICULAR SHOCKS: THEORY AND OBSERVATIONS AT 1 au

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

Adhikari, L.; Zank, G. P.; Hunana, P.

Shocks are thought to be responsible for the amplification of turbulence as well as for generating turbulence throughout the heliosphere. We study the interaction of turbulence with parallel and perpendicular shock waves using the six-coupled-equation turbulence transport model of Zank et al. We model a 1D stationary shock wave using a hyperbolic tangent function and the Rankine–Hugoniot conditions for both a reduced model with four coupled equations and the full model. Eight quasi-parallel and five quasi-perpendicular events in the WIND spacecraft data sets are identified, and we compute the fluctuating magnetic and kinetic energy, the energy in forward and backwardmore » propagating modes, the total turbulent energy, the normalized residual energy, and the normalized cross helicity upstream and downstream of the observed shocks. We compare the observed fitted values upstream and downstream of the shock with numerical solutions to our model equations. The comparison shows that our theoretical results are in reasonable agreement with observations for both quasi-parallel and perpendicular shocks. We find that (1) the total turbulent energy, the energy in forward and backward propagating modes, and the normalized residual energy increase across the shock, (2) the normalized cross helicity increases or decreases across the shock, and (3) the correlation length increases upstream and downstream of the shock, and slightly flattens or decreases across the shock.« less

High-Frequency Normal Mode Propagation in Aluminum Cylinders

USGS Publications Warehouse

Lee, Myung W.; Waite, William F.

2009-01-01

Acoustic measurements made using compressional-wave (P-wave) and shear-wave (S-wave) transducers in aluminum cylinders reveal waveform features with high amplitudes and with velocities that depend on the feature's dominant frequency. In a given waveform, high-frequency features generally arrive earlier than low-frequency features, typical for normal mode propagation. To analyze these waveforms, the elastic equation is solved in a cylindrical coordinate system for the high-frequency case in which the acoustic wavelength is small compared to the cylinder geometry, and the surrounding medium is air. Dispersive P- and S-wave normal mode propagations are predicted to exist, but owing to complex interference patterns inside a cylinder, the phase and group velocities are not smooth functions of frequency. To assess the normal mode group velocities and relative amplitudes, approximate dispersion relations are derived using Bessel functions. The utility of the normal mode theory and approximations from a theoretical and experimental standpoint are demonstrated by showing how the sequence of P- and S-wave normal mode arrivals can vary between samples of different size, and how fundamental normal modes can be mistaken for the faster, but significantly smaller amplitude, P- and S-body waves from which P- and S-wave speeds are calculated.

Design Spectrum Analysis in NASTRAN

NASA Technical Reports Server (NTRS)

Butler, T. G.

1984-01-01

The utility of Design Spectrum Analysis is to give a mode by mode characterization of the behavior of a design under a given loading. The theory of design spectrum is discussed after operations are explained. User instructions are taken up here in three parts: Transient Preface, Maximum Envelope Spectrum, and RMS Average Spectrum followed by a Summary Table. A single DMAP ALTER packet will provide for all parts of the design spectrum operations. The starting point for getting a modal break-down of the response to acceleration loading is the Modal Transient rigid format. After eigenvalue extraction, modal vectors need to be isolated in the full set of physical coordinates (P-sized as opposed to the D-sized vectors in RF 12). After integration for transient response the results are scanned over the solution time interval for the peak values and for the times that they occur. A module called SCAN was written to do this job, that organizes these maxima into a diagonal output matrix. The maximum amplifier in each mode is applied to the eigenvector of each mode which then reveals the maximum displacements, stresses, forces and boundary reactions that the structure will experience for a load history, mode by mode. The standard NASTRAN output processors have been modified for this task. It is required that modes be normalized to mass.

Degenerate mixing of plasma waves on cold, magnetized single-species plasmas

NASA Astrophysics Data System (ADS)

Anderson, M. W.; O'Neil, T. M.; Dubin, D. H. E.; Gould, R. W.

2011-10-01

In the cold-fluid dispersion relation ω =ωp/[1+(k⊥/kz)2]1/2 for Trivelpiece-Gould waves on an infinitely long magnetized plasma cylinder, the transverse and axial wavenumbers appear only in the combination k⊥/kz. As a result, for any frequency ω <ωp, there are infinitely many degenerate waves, all having the same value of k⊥/kz. On a cold finite-length plasma column, these degenerate waves reflect into one another at the ends; thus, each standing-wave normal mode of the bounded plasma is a mixture of many degenerate waves, not a single standing wave as is often assumed. A striking feature of the many-wave modes is that the short-wavelength waves often add constructively along resonance cones given by dz /dr=±(ωp2/ω2-1)1/2. Also, the presence of short wavelengths in the admixture for a predominantly long-wavelength mode enhances the viscous damping beyond what the single-wave approximation would predict. Here, numerical solutions are obtained for modes of a cylindrical plasma column with rounded ends. Exploiting the fact that the modes of a spheroidal plasma are known analytically (the Dubin modes), a perturbation analysis is used to investigate the mixing of low-order, nearly degenerate Dubin modes caused by small deformations of a plasma spheroid.

Unfolding the Quantum Nature of Proton Bound Symmetric Dimers of (MeOH)2H+ and (Me2O)2H+: a Theoretical Study

NASA Astrophysics Data System (ADS)

Tan, Jake Acedera; Kuo, Jer-Lai

2014-06-01

A proton under a tug of war between two competing Lewis bases is a common motif in biological systems and proton transfer processes. Over the past decades, model compounds for such motifs can be prepared by delicate stoichiometric control of salt solutions. Unfortunately, condensed phase studies, which aims to identify the key vibrational signatures are complicated to analyze. As a result, gas-phase studies do provide promising insights on the behavior of the shared proton. This study attempts to understand the quantum nature of the shared proton under theoretical paradigms. Proton bound symmetric dimers of (MeOH)2H+ and (Me2O)2H+ are chosen as the model compounds. The simulation is performed using Density Functional Theory (DFT) at the B3LYP level with 6-311+G(d,p) as the basis set. It was found out that stretching mode of shared proton couples with several other normal modes and its corresponding oscillator strength do distribute to other normal modes. J.R. Roscioli, L.R. McCunn and M.A. Johnson. Science 2007, 316, 249 T.E. DeCoursey. Physiol. Rev., 2003, 83, 475 E.S. Stoyanov. Psys. Chem. Phys., 2000,2,1137

A theory for protein dynamics: Global anisotropy and a normal mode approach to local complexity

NASA Astrophysics Data System (ADS)

Copperman, Jeremy; Romano, Pablo; Guenza, Marina

2014-03-01

We propose a novel Langevin equation description for the dynamics of biological macromolecules by projecting the solvent and all atomic degrees of freedom onto a set of coarse-grained sites at the single residue level. We utilize a multi-scale approach where molecular dynamic simulations are performed to obtain equilibrium structural correlations input to a modified Rouse-Zimm description which can be solved analytically. The normal mode solution provides a minimal basis set to account for important properties of biological polymers such as the anisotropic global structure, and internal motion on a complex free-energy surface. This multi-scale modeling method predicts the dynamics of both global rotational diffusion and constrained internal motion from the picosecond to the nanosecond regime, and is quantitative when compared to both simulation trajectory and NMR relaxation times. Utilizing non-equilibrium sampling techniques and an explicit treatment of the free-energy barriers in the mode coordinates, the model is extended to include biologically important fluctuations in the microsecond regime, such as bubble and fork formation in nucleic acids, and protein domain motion. This work supported by the NSF under the Graduate STEM Fellows in K-12 Education (GK-12) program, grant DGE-0742540 and NSF grant DMR-0804145, computational support from XSEDE and ACISS.

Determination of the structure and composition of Au-Ag bimetallic spherical nanoparticles using single particle ICP-MS measurements performed with normal and high temporal resolution.

PubMed

Kéri, Albert; Kálomista, Ildikó; Ungor, Ditta; Bélteki, Ádám; Csapó, Edit; Dékány, Imre; Prohaska, Thomas; Galbács, Gábor

2018-03-01

In this study, the information that can be obtained by combining normal and high resolution single particle ICP-MS (spICP-MS) measurements for spherical bimetallic nanoparticles (BNPs) was assessed. One commercial certified core-shell Au-Ag nanoparticle and three newly synthesized and fully characterized homogenous alloy Au-Ag nanoparticle batches of different composition were used in the experiments as BNP samples. By scrutinizing the high resolution spICP-MS signal time profiles, it was revealed that the width of the signal peak linearly correlates with the diameter of nanoparticles. It was also observed that the width of the peak for same-size nanoparticles is always significantly larger for Au than for Ag. It was also found that it can be reliably determined whether a BNP is of homogeneus alloy or core-shell structure and that, in the case of the latter, the core comprises of which element. We also assessed the performance of several ICP-MS based analytical methods in the analysis of the quantitative composition of bimetallic nanoparticles. Out of the three methods (normal resolution spICP-MS, direct NP nebulization with solution-mode ICP-MS, and solution-mode ICP-MS after the acid dissolution of the nanoparticles), the best accuracy and precision was achieved by spICP-MS. This method allows the determination of the composition with less than 10% relative inaccuracy and better than 3% precision. The analysis is fast and only requires the usual standard colloids for size calibration. Combining the results from both quantitative and structural analyses, the core diameter and shell thickness of core-shell particles can also be calculated. Copyright © 2017 Elsevier B.V. All rights reserved.

Alternate methods for FAAT S-curve generation

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

Kaufman, A.M.

The FAAT (Foreign Asset Assessment Team) assessment methodology attempts to derive a probability of effect as a function of incident field strength. The probability of effect is the likelihood that the stress put on a system exceeds its strength. In the FAAT methodology, both the stress and strength are random variables whose statistical properties are estimated by experts. Each random variable has two components of uncertainty: systematic and random. The systematic uncertainty drives the confidence bounds in the FAAT assessment. Its variance can be reduced by improved information. The variance of the random uncertainty is not reducible. The FAAT methodologymore » uses an assessment code called ARES to generate probability of effect curves (S-curves) at various confidence levels. ARES assumes log normal distributions for all random variables. The S-curves themselves are log normal cumulants associated with the random portion of the uncertainty. The placement of the S-curves depends on confidence bounds. The systematic uncertainty in both stress and strength is usually described by a mode and an upper and lower variance. Such a description is not consistent with the log normal assumption of ARES and an unsatisfactory work around solution is used to obtain the required placement of the S-curves at each confidence level. We have looked into this situation and have found that significant errors are introduced by this work around. These errors are at least several dB-W/cm{sup 2} at all confidence levels, but they are especially bad in the estimate of the median. In this paper, we suggest two alternate solutions for the placement of S-curves. To compare these calculational methods, we have tabulated the common combinations of upper and lower variances and generated the relevant S-curves offsets from the mode difference of stress and strength.« less

Nonlinear Schroedinger Approximations for Partial Differential Equations with Quadratic and Quasilinear Terms

NASA Astrophysics Data System (ADS)

Cummings, Patrick

We consider the approximation of solutions of two complicated, physical systems via the nonlinear Schrodinger equation (NLS). In particular, we discuss the evolution of wave packets and long waves in two physical models. Due to the complicated nature of the equations governing many physical systems and the in-depth knowledge we have for solutions of the nonlinear Schrodinger equation, it is advantageous to use approximation results of this kind to model these physical systems. The approximations are simple enough that we can use them to understand the qualitative and quantitative behavior of the solutions, and by justifying them we can show that the behavior of the approximation captures the behavior of solutions to the original equation, at least for long, but finite time. We first consider a model of the water wave equations which can be approximated by wave packets using the NLS equation. We discuss a new proof that both simplifies and strengthens previous justification results of Schneider and Wayne. Rather than using analytic norms, as was done by Schneider and Wayne, we construct a modified energy functional so that the approximation holds for the full interval of existence of the approximate NLS solution as opposed to a subinterval (as is seen in the analytic case). Furthermore, the proof avoids problems associated with inverting the normal form transform by working with a modified energy functional motivated by Craig and Hunter et al. We then consider the Klein-Gordon-Zakharov system and prove a long wave approximation result. In this case there is a non-trivial resonance that cannot be eliminated via a normal form transform. By combining the normal form transform for small Fourier modes and using analytic norms elsewhere, we can get a justification result on the order 1 over epsilon squared time scale.

An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates

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

Sibaev, M.; Crittenden, D. L., E-mail: deborah.crittenden@canterbury.ac.nz

In this paper, we outline a general, scalable, and black-box approach for calculating high-order strongly coupled force fields in rectilinear normal mode coordinates, based upon constructing low order expansions in curvilinear coordinates with naturally limited mode-mode coupling, and then transforming between coordinate sets analytically. The optimal balance between accuracy and efficiency is achieved by transforming from 3 mode representation quartic force fields in curvilinear normal mode coordinates to 4 mode representation sextic force fields in rectilinear normal modes. Using this reduced mode-representation strategy introduces an error of only 1 cm{sup −1} in fundamental frequencies, on average, across a sizable testmore » set of molecules. We demonstrate that if it is feasible to generate an initial semi-quartic force field in curvilinear normal mode coordinates from ab initio data, then the subsequent coordinate transformation procedure will be relatively fast with modest memory demands. This procedure facilitates solving the nuclear vibrational problem, as all required integrals can be evaluated analytically. Our coordinate transformation code is implemented within the extensible PyPES library program package, at http://sourceforge.net/projects/pypes-lib-ext/.« less

Kinematic Dynamo In Turbulent Circumstellar Disks

NASA Technical Reports Server (NTRS)

Stepinski, T.

1993-01-01

Many circumstellar disks associated with objects ranging from protoplanetary nebulae, to accretion disks around compact stars allow for the generation of magnetic fields by an (alpha)omega dynamo. We have applied kinematic dynamo formalism to geometrically thin accretion disks. We calculate, in the framework of an adiabatic approximation, the normal mode solutions for dynamos operating in disks around compact stars. We then describe the criteria for a viable dynamo in protoplanetary nebulae, and discuss the particular features that make accretion disk dynamos different from planetary, stellar, and galactic dynamos.

Guided-mode interactions in thin films with surface corrugation

NASA Astrophysics Data System (ADS)

Seshadri, S. R.

1994-12-01

The guided modes in a thin-film planar dielectric waveguide sandwiched between a cover and a substrate (two different dielectrics) are considered. The interface between the cover and the film has a smooth corrugation in the longitudinal direction. For weak corrugations, the guided-mode interactions are investigated using the expansion in terms of ideal normal modes. A corresponding treament is given for the not-so-weak corrugations using the expansion in terms of local normal modes. The coupling coefficients are evaluated and reduced to simple forms. The theories are specialized for the treatment of contradirectional coupling between two guided modes taking place selectively in the neighborhood of the Bragg frequency. The coupled-mode equations governing the contradirectional interaction obtained from the local normal mode expansion procedure, in the limit of weak periodic corrugations, are identical to those deduced directly using the ideal normal mode expansion technique. The treatments for both the transverse electric and the transvers magnetic modes are included.

A DMAP Program for the Selection of Accelerometer Locations in MSC/NASTRAN

NASA Technical Reports Server (NTRS)

Peck, Jeff; Torres, Isaias

2004-01-01

A new program for selecting sensor locations has been written in the DMAP (Direct Matrix Abstraction Program) language of MSC/NASTRAN. The program implements the method of Effective Independence for selecting sensor locations, and is executed within a single NASTRAN analysis as a "rigid format alter" to the normal modes solution sequence (SOL 103). The user of the program is able to choose among various analysis options using Case Control and Bulk Data entries. Algorithms tailored for the placement of both uni-axial and tri- axial accelerometers are available, as well as several options for including the model s mass distribution into the calculations. Target modes for the Effective Independence analysis are selected from the MSC/NASTRAN ASET modes calculated by the "SOL 103" solution sequence. The initial candidate sensor set is also under user control, and is selected from the ASET degrees of freedom. Analysis results are printed to the MSCINASTRAN output file (*.f06), and may include the current candidate sensors set, and their associated Effective Independence distribution, at user specified iteration intervals. At the conclusion of the analysis, the model is reduced to the final sensor set, and frequencies and orthogonality checks are printed. Example results are given for a pre-test analysis of NASA s five-segment solid rocket booster modal test.

On the stability of a superspinar

NASA Astrophysics Data System (ADS)

Nakao, Ken-ichi; Joshi, Pankaj S.; Guo, Jun-Qi; Kocherlakota, Prashant; Tagoshi, Hideyuki; Harada, Tomohiro; Patil, Mandar; Królak, Andrzej

2018-05-01

The superspinar proposed by Gimon and Hořava is a rapidly rotating compact entity whose exterior is described by the over-spinning Kerr geometry. The compact entity itself is expected to be governed by superstringy effects, and in astrophysical scenarios it can give rise to interesting observable phenomena. Earlier it was suggested that the superspinar may not be stable but we point out here that this does not necessarily follow from earlier studies. We show, by analytically treating the Teukolsky equations by Detwiler's method, that in fact there are infinitely many boundary conditions that make the superspinar stable at least against the linear perturbations of m = l modes, and that the modes will decay in time. Further consideration leads us to the conclusion that it is possible to set the inverse problem to the linear stability issue: since the radial Teukolsky equation for the superspinar has no singular point on the real axis, we obtain regular solutions to the Teukolsky equation for arbitrary discrete frequency spectrum of the quasi-normal modes (no incoming waves) and the boundary conditions at the "surface" of the superspinar are found from obtained solutions. It follows that we need to know more on the physical nature of the superspinar in order to decide on its stability in physical reality.

Helical localized wave solutions of the scalar wave equation.

PubMed

Overfelt, P L

2001-08-01

A right-handed helical nonorthogonal coordinate system is used to determine helical localized wave solutions of the homogeneous scalar wave equation. Introducing the characteristic variables in the helical system, i.e., u = zeta - ct and v = zeta + ct, where zeta is the coordinate along the helical axis, we can use the bidirectional traveling plane wave representation and obtain sets of elementary bidirectional helical solutions to the wave equation. Not only are these sets bidirectional, i.e., based on a product of plane waves, but they may also be broken up into right-handed and left-handed solutions. The elementary helical solutions may in turn be used to create general superpositions, both Fourier and bidirectional, from which new solutions to the wave equation may be synthesized. These new solutions, based on the helical bidirectional superposition, are members of the class of localized waves. Examples of these new solutions are a helical fundamental Gaussian focus wave mode, a helical Bessel-Gauss pulse, and a helical acoustic directed energy pulse train. Some of these solutions have the interesting feature that their shape and localization properties depend not only on the wave number governing propagation along the longitudinal axis but also on the normalized helical pitch.

Estimation of splitting functions from Earth's normal mode spectra using the neighbourhood algorithm

NASA Astrophysics Data System (ADS)

Pachhai, Surya; Tkalčić, Hrvoje; Masters, Guy

2016-01-01

The inverse problem for Earth structure from normal mode data is strongly non-linear and can be inherently non-unique. Traditionally, the inversion is linearized by taking partial derivatives of the complex spectra with respect to the model parameters (i.e. structure coefficients), and solved in an iterative fashion. This method requires that the earthquake source model is known. However, the release of energy in large earthquakes used for the analysis of Earth's normal modes is not simple. A point source approximation is often inadequate, and a more complete account of energy release at the source is required. In addition, many earthquakes are required for the solution to be insensitive to the initial constraints and regularization. In contrast to an iterative approach, the autoregressive linear inversion technique conveniently avoids the need for earthquake source parameters, but it also requires a number of events to achieve full convergence when a single event does not excite all singlets well. To build on previous improvements, we develop a technique to estimate structure coefficients (and consequently, the splitting functions) using a derivative-free parameter search, known as neighbourhood algorithm (NA). We implement an efficient forward method derived using the autoregresssion of receiver strips, and this allows us to search over a multiplicity of structure coefficients in a relatively short time. After demonstrating feasibility of the use of NA in synthetic cases, we apply it to observations of the inner core sensitive mode 13S2. The splitting function of this mode is dominated by spherical harmonic degree 2 axisymmetric structure and is consistent with the results obtained from the autoregressive linear inversion. The sensitivity analysis of multiple events confirms the importance of the Bolivia, 1994 earthquake. When this event is used in the analysis, as little as two events are sufficient to constrain the splitting functions of 13S2 mode. Apart from not requiring the knowledge of earthquake source, the newly developed technique provides an approximate uncertainty measure of the structure coefficients and allows us to control the type of structure solved for, for example to establish if elastic structure is sufficient.

Normalized modes at selected points without normalization

NASA Astrophysics Data System (ADS)

Kausel, Eduardo

2018-04-01

As every textbook on linear algebra demonstrates, the eigenvectors for the general eigenvalue problem | K - λM | = 0 involving two real, symmetric, positive definite matrices K , M satisfy some well-defined orthogonality conditions. Equally well-known is the fact that those eigenvectors can be normalized so that their modal mass μ =ϕT Mϕ is unity: it suffices to divide each unscaled mode by the square root of the modal mass. Thus, the normalization is the result of an explicit calculation applied to the modes after they were obtained by some means. However, we show herein that the normalized modes are not merely convenient forms of scaling, but that they are actually intrinsic properties of the pair of matrices K , M, that is, the matrices already "know" about normalization even before the modes have been obtained. This means that we can obtain individual components of the normalized modes directly from the eigenvalue problem, and without needing to obtain either all of the modes or for that matter, any one complete mode. These results are achieved by means of the residue theorem of operational calculus, a finding that is rather remarkable inasmuch as the residues themselves do not make use of any orthogonality conditions or normalization in the first place. It appears that this obscure property connecting the general eigenvalue problem of modal analysis with the residue theorem of operational calculus may have been overlooked up until now, but which has in turn interesting theoretical implications.Á

Redistribution of carbonyl stretch mode energy in isolated and solvated N-methylacetamide: kinetic energy spectral density analyses.

PubMed

Jeon, Jonggu; Cho, Minhaeng

2011-12-07

The vibrational energy transfer from the excited carbonyl stretch mode in N-deuterated N-methylacetamide (NMA-d), both in isolation and in a heavy water cluster, is studied with nonequilibrium molecular dynamics (NEMD) simulations, employing a quantum mechanical/molecular mechanical (QM∕MM) force field at the semiempirical PM3 level. The nonequilibrium ensemble of vibrationally excited NMA-d is prepared by perturbing the positions and velocities of the carbonyl C and O atoms and its NEMD trajectories are obtained with a leap-frog algorithm properly modified for the initial perturbation. In addition to the time-domain analysis of the kinetic and potential energies, a novel method for the spectral analysis of the atomic kinetic energies is developed, in terms of the spectral density of kinetic energy, which provides the time-dependent changes of the frequency-resolved kinetic energies without the complications of normal mode analysis at every MD time step. Due to the QM description of the solute electronic structure, the couplings among the normal modes are captured more realistically than with classical force fields. The energy transfer in the isolated NMA-d is found to proceed first from the carbonyl bond to other modes with time scales of 3 ps or less, and then among the other modes over 3-21 ps. In the solvated NMA-d, most of the excess energy is first transferred to other intramolecular modes within 5 ps, which is subsequently dissipated to solvent with 7-19 ps time scales. The contribution of the direct energy transfer from the carbonyl bond to solvent was only 5% with ~7 ps time scale. Solvent reorganization that leads to destabilization of the electrostatic interactions is found to be crucial in the long time relaxation of the excess energy, while the water intramolecular modes do not contribute significantly. Detailed mode-specific energy transfer pathways are deduced for the isolated and solvated NMA-d and they show that the energy transfer in NMA-d is a highly cooperative process among the intramolecular modes and there is no single dominant pathway with more than 30% of transient contribution. © 2011 American Institute of Physics

Exact mode volume and Purcell factor of open optical systems

NASA Astrophysics Data System (ADS)

Muljarov, E. A.; Langbein, W.

2016-12-01

The Purcell factor quantifies the change of the radiative decay of a dipole in an electromagnetic environment relative to free space. Designing this factor is at the heart of photonics technology, striving to develop ever smaller or less lossy optical resonators. The Purcell factor can be expressed using the electromagnetic eigenmodes of the resonators, introducing the notion of a mode volume for each mode. This approach allows an analytic treatment, reducing the Purcell factor and other observables to sums over eigenmode resonances. Calculating the mode volumes requires a correct normalization of the modes. We introduce an exact normalization of modes, not relying on perfectly matched layers. We present an analytic theory of the Purcell effect based on this exact mode normalization and the resulting effective mode volume. We use a homogeneous dielectric sphere in vacuum, which is analytically solvable, to exemplify these findings. We furthermore verify the applicability of the normalization to numerically determined modes of a finite dielectric cylinder.

Prediction of Drag Reduction in Supersonic and Hypersonic Flows with Counterflow Jets

NASA Technical Reports Server (NTRS)

Daso, Endwell O.; Beaulieu, Warren; Hager, James O.; Turner, James E. (Technical Monitor)

2002-01-01

Computational fluid dynamics solutions of the flowfield of a truncated cone-cylinder with and without counterflow jets have been obtained for the short penetration mode (SPM) and long penetration mode (LPM) of the freestream-counterflow jet interaction flowfield. For the case without the counterflow jet, the comparison of the normalized surface pressures showed very good agreement with experimental data. For the case with the SPM jet, the predicted surface pressures did not compare as well with the experimental data upstream of the expansion corner, while aft of the expansion corner, the comparison of the solution and the data is seen to give much better agreement. The difference in the prediction and the data could be due to the transient character of the jet penetration modes, possible effects of the plasma physics that are not accounted for here, or even the less likely effect of flow turbulence, etc. For the LPM jet computations, one-dimensional isentropic relations were used to derived the jet exit conditions in order to obtain the LPM solutions. The solution for the jet exit Mach number of 3 shows a jet penetration several times longer than that of the SPM, and therefore much weaker bow shock, with an attendant reduction in wave drag. The LPM jet is, in essence, seen to be a "pencil" of fluid, with much higher dynamic pressure, embedded in the oncoming supersonic or hypersonic freestream. The methodology for determining the conditions for the LPM jet could enable a practical approach for the design and application of counterflow LPM jets for the reduction of wave drag and heat flux, thus significantly enhancing the aerodynamic characteristics and aerothermal performance of supersonic and hypersonic vehicles. The solutions show that the qualitative flow structure is very well captured. The obtained results, therefore, suggest that counterflowing jets are viable candidate technology concepts that can be employed to give significant reductions in wave drag, heat flux, and other attendant aerodynamic benefits.

Nonlinear flap-lag-extensional vibrations of rotating, pretwisted, preconed beams including Coriolis effects

NASA Technical Reports Server (NTRS)

Subrahmanyam, K. B.; Kaza, K. R. V.

1985-01-01

The effects of pretwist, precone, setting angle, Coriolis forces and second degree geometric nonlinearities on the natural frequencies, steady state deflections and mode shapes of rotating, torsionally rigid, cantilevered beams were studied. The governing coupled equations of flap lag extensional motion are derived including the effects of large precone and retaining geometric nonlinearities up to second degree. The Galerkin method, with nonrotating normal modes, is used for the solution of both steady state nonlinear equations and linear perturbation equations. Parametric indicating the individual and collective effects of pretwist, precone, Coriolis forces and second degree geometric nonlinearities on the steady state deflection, natural frequencies and mode shapes of rotating blades are presented. It is indicated that the second degree geometric nonlinear terms, which vanish for zero precone, can produce frequency changes of engineering significance. Further confirmation of the validity of including those generated by MSC NASTRAN. It is indicated that the linear and nonlinear Coriolis effects must be included in analyzing thick blades. The Coriolis effects are significant on the first flatwise and the first edgewise modes.

Toward Higher-Order Mass Detection: Influence of an Adsorbate's Rotational Inertia and Eccentricity on the Resonant Response of a Bernoulli-Euler Cantilever Beam.

PubMed

Heinrich, Stephen M; Dufour, Isabelle

2015-11-19

In this paper a new theoretical model is derived, the results of which permit a detailed examination of how the resonant characteristics of a cantilever are influenced by a particle (adsorbate) attached at an arbitrary position along the beam's length. Unlike most previous work, the particle need not be small in mass or dimension relative to the beam, and the adsorbate's geometric characteristics are incorporated into the model via its rotational inertia and eccentricity relative to the beam axis. For the special case in which the adsorbate's (translational) mass is indeed small, an analytical solution is obtained for the particle-induced resonant frequency shift of an arbitrary flexural mode, including the effects of rotational inertia and eccentricity. This solution is shown to possess the exact first-order behavior in the normalized particle mass and represents a generalization of analytical solutions derived by others in earlier studies. The results suggest the potential for "higher-order" nanobeam-based mass detection methods by which the multi-mode frequency response reflects not only the adsorbate's mass but also important geometric data related to its size, shape, or orientation (i.e., the mass distribution), thus resulting in more highly discriminatory techniques for discrete-mass sensing.

Toward Higher-Order Mass Detection: Influence of an Adsorbate’s Rotational Inertia and Eccentricity on the Resonant Response of a Bernoulli-Euler Cantilever Beam

PubMed Central

Heinrich, Stephen M.; Dufour, Isabelle

2015-01-01

In this paper a new theoretical model is derived, the results of which permit a detailed examination of how the resonant characteristics of a cantilever are influenced by a particle (adsorbate) attached at an arbitrary position along the beam’s length. Unlike most previous work, the particle need not be small in mass or dimension relative to the beam, and the adsorbate’s geometric characteristics are incorporated into the model via its rotational inertia and eccentricity relative to the beam axis. For the special case in which the adsorbate’s (translational) mass is indeed small, an analytical solution is obtained for the particle-induced resonant frequency shift of an arbitrary flexural mode, including the effects of rotational inertia and eccentricity. This solution is shown to possess the exact first-order behavior in the normalized particle mass and represents a generalization of analytical solutions derived by others in earlier studies. The results suggest the potential for “higher-order” nanobeam-based mass detection methods by which the multi-mode frequency response reflects not only the adsorbate’s mass but also important geometric data related to its size, shape, or orientation (i.e., the mass distribution), thus resulting in more highly discriminatory techniques for discrete-mass sensing. PMID:26610493

Instantaneous Normal Modes and the Protein Glass Transition

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

Schulz, Roland; Krishnan, Marimuthu; Daidone, Isabella

2009-01-01

In the instantaneous normal mode method, normal mode analysis is performed at instantaneous configurations of a condensed-phase system, leading to modes with negative eigenvalues. These negative modes provide a means of characterizing local anharmonicities of the potential energy surface. Here, we apply instantaneous normal mode to analyze temperature-dependent diffusive dynamics in molecular dynamics simulations of a small protein (a scorpion toxin). Those characteristics of the negative modes are determined that correlate with the dynamical (or glass) transition behavior of the protein, as manifested as an increase in the gradient with T of the average atomic mean-square displacement at ~ 220more » K. The number of negative eigenvalues shows no transition with temperature. Further, although filtering the negative modes to retain only those with eigenvectors corresponding to double-well potentials does reveal a transition in the hydration water, again, no transition in the protein is seen. However, additional filtering of the protein double-well modes, so as to retain only those that, on energy minimization, escape to different regions of configurational space, finally leads to clear protein dynamical transition behavior. Partial minimization of instantaneous configurations is also found to remove nondiffusive imaginary modes. In summary, examination of the form of negative instantaneous normal modes is shown to furnish a physical picture of local diffusive dynamics accompanying the protein glass transition.« less

Instantaneous Normal Modes and the Protein Glass Transition

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

Schultz, Roland; Krishnan, Marimuthu; Daidone, Isabella

2009-01-01

In the instantaneous normal mode method, normal mode analysis is performed at instantaneous configurations of a condensed-phase system, leading to modes with negative eigenvalues. These negative modes provide a means of characterizing local anharmonicities of the potential energy surface. Here, we apply instantaneous normal mode to analyze temperature-dependent diffusive dynamics in molecular dynamics simulations of a small protein (a scorpion toxin). Those characteristics of the negative modes are determined that correlate with the dynamical (or glass) transition behavior of the protein, as manifested as an increase in the gradient with T of the average atomic mean-square displacement at 220 K.more » The number of negative eigenvalues shows no transition with temperature. Further, although filtering the negative modes to retain only those with eigenvectors corresponding to double-well potentials does reveal a transition in the hydration water, again, no transition in the protein is seen. However, additional filtering of the protein double-well modes, so as to retain only those that, on energy minimization, escape to different regions of configurational space, finally leads to clear protein dynamical transition behavior. Partial minimization of instantaneous configurations is also found to remove nondiffusive imaginary modes. In summary, examination of the form of negative instantaneous normal modes is shown to furnish a physical picture of local diffusive dynamics accompanying the protein glass transition.« less

A note on free and forced Rossby wave solutions: The case of a straight coast and a channel

NASA Astrophysics Data System (ADS)

Graef, Federico

2017-03-01

The free Rossby wave (RW) solutions in an ocean with a straight coast when the offshore wavenumber of incident (l1) and reflected (l2) wave are equal or complex are discussed. If l1 = l2 the energy streams along the coast and a uniformly valid solution cannot be found; if l1,2 are complex it yields the sum of an exponentially decaying and growing (away from the coast) Rossby wave. The channel does not admit these solutions as free modes. If the wavenumber vectors of the RWs are perpendicular to the coast, the boundary condition of no normal flow is trivially satisfied and the value of the streamfunction does not need to vanish at the coast. A solution that satisfies Kelvin's theorem of time-independent circulation at the coast is proposed. The forced RW solutions when the ocean's forcing is a single Fourier component are studied. If the forcing is resonant, i.e. a free Rossby wave (RW), the linear response will depend critically on whether the wave carries energy perpendicular to the channel or not. In the first case, the amplitude of the response is linear in the direction normal to the channel, y, and in the second it has a parabolic profile in y. Examples of these solutions are shown for channels with parameters resembling the Mozambique Channel, the Tasman Sea, the Denmark Strait and the English Channel. The solutions for the single coast are unbounded, except when the forcing is a RW trapped against the coast. If the forcing is non-resonant, exponentially decaying or trapped RWs could be excited in the coast and both the exponentially ;decaying; and exponentially ;growing; RW could be excited in the channel.

N-H stretching modes of adenosine monomer in solution studied by ultrafast nonlinear infrared spectroscopy and ab initio calculations.

PubMed

Greve, Christian; Preketes, Nicholas K; Costard, Rene; Koeppe, Benjamin; Fidder, Henk; Nibbering, Erik T J; Temps, Friedrich; Mukamel, Shaul; Elsaesser, Thomas

2012-07-26

The N-H stretching vibrations of adenine, one of the building blocks of DNA, are studied by combining infrared absorption and nonlinear two-dimensional infrared spectroscopy with ab initio calculations. We determine diagonal and off-diagonal anharmonicities of N-H stretching vibrations in chemically modified adenosine monomer dissolved in chloroform. For the single-quantum excitation manifold, the normal mode picture with symmetric and asymmetric NH(2) stretching vibrations is fully appropriate. For the two-quantum excitation manifold, however, the interplay between intermode coupling and frequency shifts due to a large diagonal anharmonicity leads to a situation where strong mixing does not occur. We compare our findings with previously reported values obtained on overtone spectroscopy of coupled hydrogen stretching oscillators.

Information processing of visually presented picture and word stimuli by young hearing-impaired and normal-hearing children.

PubMed

Kelly, R R; Tomlison-Keasey, C

1976-12-01

Eleven hearing-impaired children and 11 normal-hearing children (mean = four years 11 months) were visually presented familiar items in either picture or word form. Subjects were asked to recognize the stimuli they had seen from cue cards consisting of pictures or words. They were then asked to recall the sequence of stimuli by arranging the cue cards selected. The hearing-impaired group and normal-hearing subjects performed differently with the picture/picture (P/P) and word/word (W/W) modes in the recognition phase. The hearing impaired performed equally well with both modes (P/P and W/W), while the normal hearing did significantly better on the P/P mode. Furthermore, the normal-hearing group showed no difference in processing like modes (P/P and W/W) when compared to unlike modes (W/P and P/W). In contrast, the hearing-impaired subjects did better on like modes. The results were interpreted, in part, as supporting the position that young normal-hearing children dual code their visual information better than hearing-impaired children.

Helicon normal modes in Proto-MPEX

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

Piotrowicz, Pawel A.; Caneses, Juan F.; Green, David L.

Here, the Proto-MPEX helicon source has been operating in a high electron density 'helicon-mode'. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the 'helicon-mode'. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besidesmore » directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region.« less

Helicon normal modes in Proto-MPEX

DOE PAGES

Piotrowicz, Pawel A.; Caneses, Juan F.; Green, David L.; ...

2018-05-22

Here, the Proto-MPEX helicon source has been operating in a high electron density 'helicon-mode'. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the 'helicon-mode'. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besidesmore » directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region.« less

Dynamics of mode-coupling-induced microresonator frequency combs in normal dispersion

NASA Astrophysics Data System (ADS)

Jang, Jae K.; Okawachi, Yoshitomo; Yu, Mengjie; Luke, Kevin; Ji, Xingchen; Lipson, Michal; Gaeta, Alexander L.

2016-12-01

We experimentally and theoretically investigate the dynamics of microresonator-based frequency comb generation assisted by mode coupling in the normal group-velocity dispersion (GVD) regime. We show that mode coupling can initiate intracavity modulation instability (MI) by directly perturbing the pump-resonance mode. We also observe the formation of a low-noise comb as the pump frequency is tuned further into resonance from the MI point. We determine the phase-matching conditions that accurately predict all the essential features of the MI and comb spectra, and extend the existing analogy between mode coupling and high-order dispersion to the normal GVD regime. We discuss the applicability of our analysis to the possibility of broadband comb generation in the normal GVD regime.

Electromagnetically induced transparency in the case of elliptic polarization of interacting fields

NASA Astrophysics Data System (ADS)

Parshkov, Oleg M.

2018-04-01

The theoretical investigation results of disintegration effect of elliptic polarized shot probe pulses of electromagnetically induced transparency in the counterintuitive superposed elliptic polarized control field and in weak probe field approximation are presented. It is shown that this disintegration occurs because the probe field in the medium is the sum of two normal modes, which correspond to elliptic polarized pulses with different speeds of propagation. The polarization ellipses of normal modes have equal eccentricities and mutually perpendicular major axes. Major axis of polarization ellipse of one normal mode is parallel to polarization ellipse major axis of control field, and electric vector of this mode rotates in the opposite direction, than electric vector of the control field. The electric vector other normal mode rotates in the same direction that the control field electric vector. The normal mode speed of the first type aforementioned is less than that of the second type. The polarization characteristics of the normal mode depend uniquely on the polarization characteristics of elliptic polarized control field and remain changeless in the propagation process. The theoretical investigation is performed for Λ-scheme of degenerated quantum transitions between 3P0, 3P10 and 3P2 energy levels of 208Pb isotope.

The dance of molecules: new dynamical perspectives on highly excited molecular vibrations.

PubMed

Kellman, Michael E; Tyng, Vivian

2007-04-01

At low energies, molecular vibrational motion is described by the normal modes model. This model breaks down at higher energy, with strong coupling between normal modes and onset of chaotic dynamics. New anharmonic modes are born in bifurcations, or branchings of the normal modes. Knowledge of these new modes is obtained through the window of frequency-domain spectroscopy, using techniques of nonlinear classical dynamics. It may soon be possible to "watch" molecular rearrangement reactions spectroscopically. Connections are being made with reaction rate theories, condensed phase systems, and motions of electrons in quantum dots.

On the r-mode spectrum of relativistic stars in the low-frequency approximation

NASA Astrophysics Data System (ADS)

Ruoff, Johannes; Kokkotas, Kostas D.

2001-12-01

The axial modes for non-barotropic relativistic rotating neutron stars with uniform angular velocity are studied, using the slow-rotation formalism together with the low-frequency approximation, first investigated by Kojima. The time-independent form of the equations leads to a singular eigenvalue problem, which admits a continuous spectrum. We show that for l=2, it is nevertheless also possible to find discrete mode solutions (the r modes). However, under certain conditions related to the equation of state and the compactness of the stellar model, the eigenfrequency lies inside the continuous band and the associated velocity perturbation is divergent; hence these solutions have to be discarded as being unphysical. We corroborate our results by explicitly integrating the time-dependent equations. For stellar models admitting a physical r-mode solution, it can indeed be excited by arbitrary initial data. For models admitting only an unphysical mode solution, the evolutions do not show any tendency to oscillate with the respective frequency. For higher values of l it seems that in certain cases there are no mode solutions at all.

Two-dimensional complex source point solutions: application to propagationally invariant beams, optical fiber modes, planar waveguides, and plasmonic devices.

PubMed

Sheppard, Colin J R; Kou, Shan S; Lin, Jiao

2014-12-01

Highly convergent beam modes in two dimensions are considered based on rigorous solutions of the scalar wave (Helmholtz) equation, using the complex source point formalism. The modes are applicable to planar waveguide or surface plasmonic structures and nearly concentric microcavity resonator modes in two dimensions. A novel solution is that of a vortex beam, where the direction of propagation is in the plane of the vortex. The modes also can be used as a basis for the cross section of propagationally invariant beams in three dimensions and bow-tie-shaped optical fiber modes.

A numerical investigation of head waves and leaky modes in fluid- filled boreholes.

USGS Publications Warehouse

Paillet, Frederick L.; Cheng, C.H.

1986-01-01

Although synthetic borehole seismograms can be computed for a wide range of borehole conditions, the physical nature of shear and compressional head waves in fluid-filled boreholes is poorly understood. Presents a series of numerical experiments designed to explain the physical mechanisms controlling head-wave propagation in boreholes. These calculations demonstrate the existence of compressional normal modes equivalent to shear normal modes, or pseudo-Rayleigh waves, with sequential cutoff frequencies spaced between the cutoff frequencies for the shear normal modes.-from Authors

Low-frequency centroid-moment-tensor inversion from superconducting-gravimeter data: The effect of seismic attenuation

NASA Astrophysics Data System (ADS)

Zábranová, Eliška; Matyska, Ctirad

2014-10-01

After the 2010 Maule and 2011 Tohoku earthquakes the spheroidal modes up to 1 mHz were clearly registered by the Global Geodynamic Project (GGP) network of superconducting gravimeters (SG). Fundamental parameters in synthetic calculations of the signals are the quality factors of the modes. We study the role of their uncertainties in the centroid-moment-tensor (CMT) inversions. First, we have inverted the SG data from selected GGP stations to jointly determine the quality factors of these normal modes and the three low-frequency CMT components, Mrr,(Mϑϑ-Mφφ)/2 and Mϑφ, that generate the observed SG signal. We have used several-days-long records to minimize the trade-off between the quality factors and the CMT but it was not eliminated completely. We have also inverted each record separately to get error estimates of the obtained parameters. Consequently, we have employed the GGP records of 60-h lengths for several published modal-quality-factor sets and inverted only the same three CMT components. The obtained CMT tensors are close to the solution from the joint Q-CMT inversion of longer records and resulting variability of the CMT components is smaller than differences among routine agency solutions. Reliable low-frequency CMT components can thus be obtained for any quality factors from the studied sets.

Correlating the vibrational spectra of structurally related molecules: A spectroscopic measure of similarity.

PubMed

Tao, Yunwen; Zou, Wenli; Cremer, Dieter; Kraka, Elfi

2018-03-05

Using catastrophe theory and the concept of a mutation path, an algorithm is developed that leads to the direct correlation of the normal vibrational modes of two structurally related molecules. The mutation path is defined by weighted incremental changes in mass and geometry of the molecules in question, which are successively applied to mutate a molecule into a structurally related molecule and thus continuously converting their normal vibrational spectra from one into the other. Correlation diagrams are generated that accurately relate the normal vibrational modes to each other by utilizing mode-mode overlap criteria and resolving allowed and avoided crossings of vibrational eigenstates. The limitations of normal mode correlation, however, foster the correlation of local vibrational modes, which offer a novel vibrational measure of similarity. It will be shown how this will open new avenues for chemical studies. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Atomistic modeling of the low-frequency mechanical modes and Raman spectra of icosahedral virus capsids

NASA Astrophysics Data System (ADS)

Dykeman, Eric C.; Sankey, Otto F.

2010-02-01

We describe a technique for calculating the low-frequency mechanical modes and frequencies of a large symmetric biological molecule where the eigenvectors of the Hessian matrix are determined with full atomic detail. The method, which follows order N methods used in electronic structure theory, determines the subset of lowest-frequency modes while using group theory to reduce the complexity of the problem. We apply the method to three icosahedral viruses of various T numbers and sizes; the human viruses polio and hepatitis B, and the cowpea chlorotic mottle virus, a plant virus. From the normal-mode eigenvectors, we use a bond polarizability model to predict a low-frequency Raman scattering profile for the viruses. The full atomic detail in the displacement patterns combined with an empirical potential-energy model allows a comparison of the fully atomic normal modes with elastic network models and normal-mode analysis with only dihedral degrees of freedom. We find that coarse-graining normal-mode analysis (particularly the elastic network model) can predict the displacement patterns for the first few (˜10) low-frequency modes that are global and cooperative.

All substituted nickel porphyrins are highly nonplanar

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

Shelnutt, J.A.; Song, X.Z.; Jentzen, W.

1996-12-31

X-ray crystallographic and resonance Raman studies show that only un-substituted Ni porphine is planar in solution; all substituted Ni porphyrin derivatives either are nonplanar or exist as a mixture of planar and nonplanar conformers in solution. Recent modifications in a molecular mechanics force field improve the ability the MM calculations to predict the X-ray structures of porphyrins and also the planar-nonplanar conformational equilibria in many cases. Calculations using the new force field suggests that all geoporphyrins will be highly nonplanar, especially those having meso substituents. The nonplanarity is expected to influence properties such as solubility and metallation/dematallation reactions. Further, amore » method of quantifying these nonplanar structures has been devised; any porphyrin structure can be decomposed into displacements along the out-of-plane normal coordinates. However, usually distortions along only the lowest-frequency normal modes of each symmetry type are required to adequately describe the structure. The lowest-frequency normal coordinates of b{sub lu}, a{sub 2u}, b{sub 2u}, and e{sub g} symmetries correspond to commonly observed symmetric distortions called ruffling (ruf), doming(dom), saddling (sad), and waving (wav(x), wav(y)). The application of this structural decomposition method to several problems including the influences of steric crowding and protein folding on porphyrin conformation will be described.« less

Normal modes of a small gamelan gong.

PubMed

Perrin, Robert; Elford, Daniel P; Chalmers, Luke; Swallowe, Gerry M; Moore, Thomas R; Hamdan, Sinin; Halkon, Benjamin J

2014-10-01

Studies have been made of the normal modes of a 20.7 cm diameter steel gamelan gong. A finite-element model has been constructed and its predictions for normal modes compared with experimental results obtained using electronic speckle pattern interferometry. Agreement was reasonable in view of the lack of precision in the manufacture of the instrument. The results agree with expectations for an axially symmetric system subject to small symmetry breaking. The extent to which the results obey Chladni's law is discussed. Comparison with vibrational and acoustical spectra enabled the identification of the small number of modes responsible for the sound output when played normally. Evidence of non-linear behavior was found, mainly in the form of subharmonics of true modes. Experiments using scanning laser Doppler vibrometry gave satisfactory agreement with the other methods.

Toothguide Trainer tests with color vision deficiency simulation monitor.

PubMed

Borbély, Judit; Varsányi, Balázs; Fejérdy, Pál; Hermann, Péter; Jakstat, Holger A

2010-01-01

The aim of this study was to evaluate whether simulated severe red and green color vision deficiency (CVD) influenced color matching results and to investigate whether training with Toothguide Trainer (TT) computer program enabled better color matching results. A total of 31 color normal dental students participated in the study. Every participant had to pass the Ishihara Test. Participants with a red/green color vision deficiency were excluded. A lecture on tooth color matching was given, and individual training with TT was performed. To measure the individual tooth color matching results in normal and color deficient display modes, the TT final exam was displayed on a calibrated monitor that served as a hardware-based method of simulating protanopy and deuteranopy. Data from the TT final exams were collected in normal and in severe red and green CVD-simulating monitor display modes. Color difference values for each participant in each display mode were computed (∑ΔE(ab)(*)), and the respective means and standard deviations were calculated. The Student's t-test was used in statistical evaluation. Participants made larger ΔE(ab)(*) errors in severe color vision deficient display modes than in the normal monitor mode. TT tests showed significant (p<0.05) difference in the tooth color matching results of severe green color vision deficiency simulation mode compared to normal vision mode. Students' shade matching results were significantly better after training (p=0.009). Computer-simulated severe color vision deficiency mode resulted in significantly worse color matching quality compared to normal color vision mode. Toothguide Trainer computer program improved color matching results. Copyright © 2010 Elsevier Ltd. All rights reserved.

Normal mode-guided transition pathway generation in proteins

PubMed Central

Lee, Byung Ho; Seo, Sangjae; Kim, Min Hyeok; Kim, Youngjin; Jo, Soojin; Choi, Moon-ki; Lee, Hoomin; Choi, Jae Boong

2017-01-01

The biological function of proteins is closely related to its structural motion. For instance, structurally misfolded proteins do not function properly. Although we are able to experimentally obtain structural information on proteins, it is still challenging to capture their dynamics, such as transition processes. Therefore, we need a simulation method to predict the transition pathways of a protein in order to understand and study large functional deformations. Here, we present a new simulation method called normal mode-guided elastic network interpolation (NGENI) that performs normal modes analysis iteratively to predict transition pathways of proteins. To be more specific, NGENI obtains displacement vectors that determine intermediate structures by interpolating the distance between two end-point conformations, similar to a morphing method called elastic network interpolation. However, the displacement vector is regarded as a linear combination of the normal mode vectors of each intermediate structure, in order to enhance the physical sense of the proposed pathways. As a result, we can generate more reasonable transition pathways geometrically and thermodynamically. By using not only all normal modes, but also in part using only the lowest normal modes, NGENI can still generate reasonable pathways for large deformations in proteins. This study shows that global protein transitions are dominated by collective motion, which means that a few lowest normal modes play an important role in this process. NGENI has considerable merit in terms of computational cost because it is possible to generate transition pathways by partial degrees of freedom, while conventional methods are not capable of this. PMID:29020017

Approximation of traveling wave solutions in wall-bounded flows using resolvent modes

NASA Astrophysics Data System (ADS)

McKeon, Beverley; Graham, Michael; Moarref, Rashad; Park, Jae Sung; Sharma, Ati; Willis, Ashley

2014-11-01

Significant recent attention has been devoted to computing and understanding exact traveling wave solutions of the Navier-Stokes equations. These solutions can be interpreted as the state-space skeleton of turbulence and are attractive benchmarks for studying low-order models of wall turbulence. Here, we project such solutions onto the velocity response (or resolvent) modes supplied by the gain-based resolvent analysis outlined by McKeon & Sharma (JFM, 2010). We demonstrate that in both pipe (Pringle et al., Phil. Trans. R. Soc. A, 2009) and channel (Waleffe, JFM, 2001) flows, the solutions can be well-described by a small number of resolvent modes. Analysis of the nonlinear forcing modes sustaining these solutions reveals the importance of small amplitude forcing, consistent with the large amplifications admitted by the resolvent operator. We investigate the use of resolvent modes as computationally cheap ``seeds'' for the identification of further traveling wave solutions. The support of AFOSR under Grants FA9550-09-1-0701, FA9550-12-1-0469, FA9550-11-1-0094 and FA9550-14-1-0042 (program managers Rengasamy Ponnappan, Doug Smith and Gregg Abate) is gratefully acknowledged.

Ammonium fluoride as a mobile phase additive in aqueous normal phase chromatography.

PubMed

Pesek, Joseph J; Matyska, Maria T

2015-07-03

The use of ammonium fluoride as a mobile phase additive in aqueous normal phase chromatography with silica hydride-based stationary phases and mass spectrometry detection is evaluated. Retention times, peak shape, efficiency and peak intensity are compared to the more standard additives formic acid and ammonium formate. The test solutes were NAD, 3-hydroxyglutaric acid, α-ketoglutaric acid, p-aminohippuric acid, AMP, ATP, aconitic acid, threonine, N-acetyl carnitine, and 3-methyladipic acid. The column parameters are assessed in both the positive and negative ion detection modes. Ammonium fluoride is potentially an aggressive mobile phase additive that could have detrimental effects on column lifetime. Column reproducibility is measured and the effects of switching between different additives are also tested. Copyright © 2015 Elsevier B.V. All rights reserved.

Asymmetric cell division of stem cells in the lung and other systems

PubMed Central

Berika, Mohamed; Elgayyar, Marwa E.; El-Hashash, Ahmed H. K.

2014-01-01

New insights have been added to identification, behavior and cellular properties of embryonic and tissue-specific stem cells over the last few years. The modes of stem cell division, asymmetric vs. symmetric, are tightly regulated during development and regeneration. The proper choice of a stem cell to divide asymmetrically or symmetrically has great consequences for development and disease because inappropriate asymmetric division disrupts organ morphogenesis, whereas uncontrolled symmetric division induces tumorigenesis. Therefore, understanding the behavior of lung stem cells could identify innovative solutions for restoring normal morphogenesis and/or regeneration of different organs. In this concise review, we describe recent studies in our laboratory about the mode of division of lung epithelial stem cells. We also compare asymmetric cell division (ACD) in the lung stem cells with other tissues in different organisms. PMID:25364740

Very highly excited vibrational states of LiCN using a discrete variable representation

NASA Astrophysics Data System (ADS)

Henderson, James R.; Tennyson, Jonathan

Calculations are presented for the lowest 900 vibrational (J = 0) states of the LiCN floppy system for a two dimensional potential energy surface (rCN frozen). Most of these states lie well above the barrier separating the two linear isomers of the molecule and the point where the classical dynamics of the system becomes chaotic. Analysis of the wavefunctions of individual states in the high energy region shows that while most have an irregular nodal structure, a significant number of states appear regular - corresponding to solutions of standard, 'mode localized' hamiltonians. Motions corresponding in zero-order to Li-CN and Li-NC normal modes as well as free rotor states are identified. The distribution of level spacings is also studied and yields results in good agreement with those obtained by analysing nodal structures.

Student Solution Manual for Mathematical Methods for Physics and Engineering Third Edition

NASA Astrophysics Data System (ADS)

Riley, K. F.; Hobson, M. P.

2006-03-01

Preface; 1. Preliminary algebra; 2. Preliminary calculus; 3. Complex numbers and hyperbolic functions; 4. Series and limits; 5. Partial differentiation; 6. Multiple integrals; 7. Vector algebra; 8. Matrices and vector spaces; 9. Normal modes; 10. Vector calculus; 11. Line, surface and volume integrals; 12. Fourier series; 13. Integral transforms; 14. First-order ordinary differential equations; 15. Higher-order ordinary differential equations; 16. Series solutions of ordinary differential equations; 17. Eigenfunction methods for differential equations; 18. Special functions; 19. Quantum operators; 20. Partial differential equations: general and particular; 21. Partial differential equations: separation of variables; 22. Calculus of variations; 23. Integral equations; 24. Complex variables; 25. Application of complex variables; 26. Tensors; 27. Numerical methods; 28. Group theory; 29. Representation theory; 30. Probability; 31. Statistics.

Rupture dynamics along bimaterial interfaces: a parametric study of the coupling between interfacial sliding and normal traction perturbation

NASA Astrophysics Data System (ADS)

Scala, Antonio; Festa, Gaetano; Vilotte, Jean-Pierre

2017-04-01

Earthquake ruptures often develop along faults separating materials with dissimilar elastic properties. Due to the broken symmetry, the propagation of the rupture along the bimaterial interface is driven by the coupling between interfacial sliding and normal traction perturbations. We numerically investigate in-plane rupture growth along a planar interface, under slip weakening friction, separating two dissimilar isotropic linearly elastic half-spaces. We perform a parametric study of the classical Prakash-Clifton regularisation for different material contrasts. In particular mesh-dependence and regularisation-dependence of the numerical solutions are analysed in this parameter space. When regularisation involves a slip-rate dependent relaxation time, a characteristic sliding distance is identified below which numerical solutions no longer depend on the regularisation parameter, i.e. they are consistent solutions of the same physical problem. Such regularisation provides an adaptive high-frequency filter of the slip-induced normal traction perturbations, following the dynamic shrinking of the dissipation zone during the acceleration phase. In contrast, regularisation involving a constant relaxation time leads to numerical solutions that always depend on the regularisation parameter since it fails adapting to the shrinking of the process zone. Dynamic regularisation is further investigated using a non-local regularisation based on a relaxation time that depends on the dynamic length of the dissipation zone. Such reformulation is shown to provide similar results as the dynamic time scale regularisation proposed by Prakash-Clifton when slip rate is replaced by the maximum slip rate along the sliding interface. This leads to the identification of a dissipative length scale associated with the coupling between interfacial sliding and normal traction perturbations, together with a scaling law between the maximum slip rate and the dynamic size of the process zone during the rupture propagation. Dynamic time scale regularisation is show to provide mesh-independent and physically well-posed numerical solutions during the acceleration phase toward an asymptotic speed. When generalised Rayleigh wave does not exist, numerical solutions are shown to tend toward an asymptotic velocity higher than the slowest shear wave speed. When generalised Rayleigh wave speed exists, as numerical solutions tend toward this velocity, increasing spurious oscillations develop and solutions become unstable. In this regime regularisation dependent and unstable finite-size pulses may be generated. This instability is associated with the singular behaviour of the slip-induced normal traction perturbations, and of the slip rate at the rupture front, in relation with complete shrinking of the dissipation zone. This phase requires to be modelled either by more complex interface constitutive laws involving velocity-strengthening effects that may stabilize short wavelength interfacial propagating modes or by considering non-ideal interfaces that introduce a new length scale in the problem that may promote selection and stabilization of the slip pulses.

Quantized mode of a leaky cavity

NASA Astrophysics Data System (ADS)

Dutra, S. M.; Nienhuis, G.

2000-12-01

We use Thomson's classical concept of mode of a leaky cavity to develop a quantum theory of cavity damping. This theory generalizes the conventional system-reservoir theory of high-Q cavity damping to arbitrary Q. The small system now consists of damped oscillators corresponding to the natural modes of the leaky cavity rather than undamped oscillators associated with the normal modes of a fictitious perfect cavity. The formalism unifies semiclassical Fox-Li modes and the normal modes traditionally used for quantization. It also lays the foundations for a full quantum description of excess noise. The connection with Siegman's semiclassical work is straightforward. In a wider context, this theory constitutes a radical departure from present models of dissipation in quantum mechanics: unlike conventional models, system and reservoir operators no longer commute with each other. This noncommutability is an unavoidable consequence of having to use natural cavity modes rather than normal modes of a fictitious perfect cavity.

An approach to the quantization of black hole quasi-normal modes

NASA Astrophysics Data System (ADS)

Pal, Soham; Rajeev, Karthik; Shankaranarayanan, S.

2015-07-01

In this work, we derive the asymptotic quasi-normal modes of a Banados-Teitelboim-Zanelli (BTZ) black hole using a quantum field theoretic Lagrangian. The BTZ black hole is a very popular system in the context of 2 + 1-dimensional quantum gravity. However, to our knowledge the quasi-normal modes of the BTZ black hole have been studied only in the classical domain. Here we show a way to quantize the quasi-normal modes of the BTZ black hole by mapping it to the Bateman-Feschbach-Tikochinsky oscillator and the Caldirola-Kanai oscillator. We have also discussed a couple of other black hole potentials to which this method can be applied.

Towards enabling ultrasound guidance in cervical cancer high-dose-rate brachytherapy

NASA Astrophysics Data System (ADS)

Wong, Adrian; Sojoudia, Samira; Gaudet, Marc; Yap, Wan Wan; Chang, Silvia D.; Abolmaesumi, Purang; Aquino-Parsons, Christina; Moradi, Mehdi

2014-03-01

MRI and Computed Tomography (CT) are used in image-based solutions for guiding High Dose Rate (HDR) brachytherapy treatment of cervical cancer. MRI is costly and CT exposes the patients to ionizing radiation. Ultrasound, on the other hand, is affordable and safe. The long-term goal of our work is to enable the use of multiparametric ultrasound imaging in image-guided HDR for cervical cancer. In this paper, we report the development of enabling technology for ultrasound guidance and tissue typing. We report a system to obtain the 3D freehand transabdominal ultrasound RF signals and B-mode images of the uterus, and a method for registration of ultrasound to MRI. MRI and 3D ultrasound images of the female pelvis were registered by contouring the uterus in the two modalities, creating a surface model, followed by rigid and B-spline deformable registration. The resulting transformation was used to map the location of the tumor from the T2-weighted MRI to ultrasound images and to determine cancerous and normal areas in ultrasound. B-mode images show a contrast for cancer vs. normal tissue. Our study shows the potential and the challenges of ultrasound imaging in guiding cervical cancer treatments.

Effect of 3-D viscoelastic structure on post-seismic relaxation from the 2004 M = 9.2 Sumatra earthquake

USGS Publications Warehouse

Pollitz, F.; Banerjee, P.; Grijalva, K.; Nagarajan, B.; Burgmann, R.

2008-01-01

The 2004 M=9.2 Sumatra-Andaman earthquake profoundly altered the state of stress in a large volume surrounding the ???1400 km long rupture. Induced mantle flow fields and coupled surface deformation are sensitive to the 3-D rheology structure. To predict the post-seismic motions from this earthquake, relaxation of a 3-D spherical viscoelastic earth model is simulated using the theory of coupled normal modes. The quasi-static deformation basis set and solution on the 3-D model is constructed using: a spherically stratified viscoelastic earth model with a linear stress-strain relation; an aspherical perturbation in viscoelastic structure; a 'static'mode basis set consisting of Earth's spheroidal and toroidal free oscillations; a "viscoelastic" mode basis set; and interaction kernels that describe the coupling among viscoelastic and static modes. Application to the 2004 Sumatra-Andaman earthquake illustrates the profound modification of the post-seismic flow field at depth by a slab structure and similarly large effects on the near-field post-seismic deformation field at Earth's surface. Comparison with post-seismic GPS observations illustrates the extent to which viscoelastic relaxation contributes to the regional post-seismic deformation. ?? Journal compilation ?? 2008 RAS.

Particle-in-cell Simulations of Waves in a Plasma Described by Kappa Velocity Distribution as Observed in the Saturńs Magnetosphere

NASA Astrophysics Data System (ADS)

Alves, M. V.; Barbosa, M. V. G.; Simoes, F. J. L., Jr.

2016-12-01

Observations have shown that several regions in space plasmas exhibit non-Maxwellian distributions with high energy superthermal tails. Kappa velocity distribution functions can describe many of these regions and have been used since the 60's. They suit well to represent superthermal tails in solar wind as well as to obtain plasma parameters of plasma within planetary magnetospheres. A set of initial velocities following kappa distribution functions is used in KEMPO1 particle simulation code to analyze the normal modes of wave propagation. Initial conditions are determined using observed characteristics for Saturńs magnetosphere. Two electron species with different temperatures and densities and ions as a third species are used. Each electron population is described by a different kappa index. Particular attention is given to perpendicular propagation, Bernstein modes, and parallel propagation, Langmuir and electron-acoustic modes. The dispersion relation for the Bernstein modes is strongly influenced by the shape of the velocity distribution and consequently by the value of kappa index. Simulation results are compared with numerical solutions of the dispersion relation obtained in the literature and they are in good agreement.

Multivariable Techniques for High-Speed Research Flight Control Systems

NASA Technical Reports Server (NTRS)

Newman, Brett A.

1999-01-01

This report describes the activities and findings conducted under contract with NASA Langley Research Center. Subject matter is the investigation of suitable multivariable flight control design methodologies and solutions for large, flexible high-speed vehicles. Specifically, methodologies are to address the inner control loops used for stabilization and augmentation of a highly coupled airframe system possibly involving rigid-body motion, structural vibrations, unsteady aerodynamics, and actuator dynamics. Design and analysis techniques considered in this body of work are both conventional-based and contemporary-based, and the vehicle of interest is the High-Speed Civil Transport (HSCT). Major findings include: (1) control architectures based on aft tail only are not well suited for highly flexible, high-speed vehicles, (2) theoretical underpinnings of the Wykes structural mode control logic is based on several assumptions concerning vehicle dynamic characteristics, and if not satisfied, the control logic can break down leading to mode destabilization, (3) two-loop control architectures that utilize small forward vanes with the aft tail provide highly attractive and feasible solutions to the longitudinal axis control challenges, and (4) closed-loop simulation sizing analyses indicate the baseline vane model utilized in this report is most likely oversized for normal loading conditions.

Normal mode Rossby waves observed in the upper stratosphere

NASA Technical Reports Server (NTRS)

Hirooka, T.; Hirota, I.

1985-01-01

In recent years, observational evidence has been obtained for westward traveling planetary waves in the middle atmosphere with the aid of global data from satellites. There is no doubt that the fair portion of the observed traveling waves can be understood as the manifestation of the normal mode Rossby waves which are theoretically derived from the tidal theory. Some observational aspects of the structure and behavior of the normal model Rossby waves in the upper stratosphere are reported. The data used are the global stratospheric geopotential thickness and height analyses which are derived mainly from the Stratospheric Sounding Units (SSUs) on board TIROS-N and NOAA satellites. A clear example of the influence of the normal mode Rossby wave on the mean flow is reported. The mechanism considered is interference between the normal mode Rossby wave and the quasi-stationary wave.

Fundamental Solution For The Self-healing Fracture Pulse

NASA Astrophysics Data System (ADS)

Nielsen, S.; Madariaga, R.

We find the analytical solution for a fundamental fracture mode in the form of a self- similar, self-healing pulse. The existence of such a fracture mode was strongly sug- gested by recent numerical findings but, to our knwledge, no formal proof had been proposed up to date. We present a two dimensional, anti-plane solution for fixed rup- ture and healing velocities, that satisfies both wave equation and stress conditions; we argue that such a solution is plausible even in the absence of rate-weakening in the friction, as an alternative to the classic crack solution. In practice, the impulsive mode rather than the expanding crack mode is selected depending on details of fracture initiation, and is therafter self-maintained. We discuss stress concentration, fracture energy, rupture velocity and compare them to the case of a crack. The analytical study is complemented by various numerical examples and comparisons. On more general grounds, we argue that an infinity of marginally stable fracture modes may exist other than the crack solution or the impulseive fracture described here.

Elastic Model Transitions: A Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

NASA Technical Reports Server (NTRS)

Hannan, Mike R.; Jurenko, Robert J.; Bush, Jason; Ottander, John

2014-01-01

A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes a hybrid approach for determining physical displacements by augmenting the original quadratically constrained least squares (LSQI) algorithm with Direct Shape Mapping (DSM) and modifying the energy constraints. The approach presented is applicable to simulation of the elastic behavior of launch vehicles and other structures that utilize discrete LTI finite element model (FEM) derived mode sets (eigenvalues and eigenvectors) that are propagated throughout time. The time invariant nature of the elastic data presents a problem of how to properly transition elastic states from the prior to the new model while preserving motion across the transition and ensuring there is no truncation or excitation of the system. A previous approach utilizes a LSQI algorithm with an energy constraint to effect smooth transitions between eigenvector sets with no requirement that the models be of similar dimension or have any correlation. This approach assumes energy is conserved across the transition, which results in significant non-physical transients due to changing quasi-steady state energy between mode sets, a phenomenon seen when utilizing a truncated mode set. The computational burden of simulating a full mode set is significant so a subset of modes is often selected to reduce run time. As a result of this truncation, energy between mode sets may not be constant and solutions across transitions could produce non-physical transients. In an effort to abate these transients an improved methodology was developed based on the aforementioned approach, but this new approach can handle significant changes in energy across mode set transitions. It is proposed that physical velocities due to elastic behavior be solved for using the LSQI algorithm, but solve for displacements using a two-step process that independently addresses the quasi-steady-state and non-steady-state contributions to the elastic displacement. For structures subject to large external forces, such as thrust or atmospheric drag, it is imperative to capture these forces when solving for elastic displacement. To simplify the mathematical formulation, assumptions are made regarding mass matrix normalization, constant external forcing, and constant viscous damping. These simplifications allow for direct solutions to the quasi-steady-state displacements through a process titled Direct Shape Mapping. DSM solves for the displacements using the eigenvalues of the elastic modes and the external forcing and returns a set of elastic displacements dictated by the eigenvectors of the post-transition mode set. For the non-steady-state contributions to displacement we formulate a LSQI problem that is constrained by energy of the non-steady state terms. The contributions from the quasi-steady-state and non-steady state solutions are then combined to obtain the physical displacements associated with the new set of eigenvectors. Results for the LSQI-DSM approach show significant reduction/complete removal of transients across mode set transitions while maintaining elastic motion from the prior state. For time propagation applications employing discrete elastic models that need to be transitioned in time and where running with full a full mode set is not feasible, the method developed offers a practical solution to simulating vehicle elasticity.

A Pictorial Visualization of Normal Mode Vibrations of the Fullerene (C[subscript 60]) Molecule in Terms of Vibrations of a Hollow Sphere

ERIC Educational Resources Information Center

Dunn, Janette L.

2010-01-01

Understanding the normal mode vibrations of a molecule is important in the analysis of vibrational spectra. However, the complicated 3D motion of large molecules can be difficult to interpret. We show how images of normal modes of the fullerene molecule C[subscript 60] can be made easier to understand by superimposing them on images of the normal…

Acoustic-gravity waves in atmospheric and oceanic waveguides.

PubMed

Godin, Oleg A

2012-08-01

A theory of guided propagation of sound in layered, moving fluids is extended to include acoustic-gravity waves (AGWs) in waveguides with piecewise continuous parameters. The orthogonality of AGW normal modes is established in moving and motionless media. A perturbation theory is developed to quantify the relative significance of the gravity and fluid compressibility as well as sensitivity of the normal modes to variations in sound speed, flow velocity, and density profiles and in boundary conditions. Phase and group speeds of the normal modes are found to have certain universal properties which are valid for waveguides with arbitrary stratification. The Lamb wave is shown to be the only AGW normal mode that can propagate without dispersion in a layered medium.

Fingering patterns in magnetic fluids: Perturbative solutions and the stability of exact stationary shapes

NASA Astrophysics Data System (ADS)

Anjos, Pedro H. A.; Lira, Sérgio A.; Miranda, José A.

2018-04-01

We examine the formation of interfacial patterns when a magnetic liquid droplet (ferrofluid, or a magnetorheological fluid), surrounded by a nonmagnetic fluid, is subjected to a radial magnetic field in a Hele-Shaw cell. By using a vortex-sheet formalism, we find exact stationary solutions for the fluid-fluid interface in the form of n -fold polygonal shapes. A weakly nonlinear, mode-coupling method is then utilized to find time-evolving perturbative solutions for the interfacial patterns. The stability of such nonzero surface tension exact solutions is checked and discussed, by trying to systematically approach the exact stationary shapes through perturbative solutions containing an increasingly larger number of participating Fourier modes. Our results indicate that the exact stationary solutions of the problem are stable, and that a good matching between exact and perturbative shape solutions is achieved just by using a few Fourier modes. The stability of such solutions is substantiated by a linearization process close to the stationary shape, where a system of mode-coupling equations is diagonalized, determining the eigenvalues which dictate the stability of a fixed point.

Surface wave scattering from sharp lateral discontinuities

NASA Astrophysics Data System (ADS)

Pollitz, Fred F.

1994-11-01

The problem of surface wave scattering is re-explored, with quasi-degenerate normal mode coupling as the starting point. For coupling among specified spheroidal and toroidal mode dispersion branches, a set of coupled wave equations is derived in the frequency domain for first-arriving Rayleigh and Love waves. The solutions to these coupled wave equations using linear perturbation theory are surface integrals over the unit sphere covering the lateral distribution of perturbations in Earth structure. For isotropic structural perturbations and surface topographic perturbations, these solutions agree with the Born scattering theory previously obtained by Snieder and Romanowicz. By transforming these surface integrals into line integrals along the boundaries of the heterogeneous regions in the case of sharp discontinuities, and by using uniformly valid Green's functions, it is possible to extend the solution to the case of multiple scattering interactions. The proposed method allows the relatively rapid calculation of exact second order scattered wavefield potentials for scattering by sharp discontinuities, and it has many advantages not realized in earlier treatments. It employs a spherical Earth geometry, uses no far field approximation, and implicitly contains backward as well as forward scattering. Comparisons of asymptotic scattering and an exact solution with single scattering and multiple scattering integral formulations show that the phase perturbation predicted by geometrical optics breaks down for scatterers less than about six wavelengths in diameter, and second-order scattering predicts well both the amplitude and phase pattern of the exact wavefield for sufficiently small scatterers, less than about three wavelengths in diameter for anomalies of a few percent.

Asymptotic co- and post-seismic displacements in a homogeneous Maxwell sphere

NASA Astrophysics Data System (ADS)

Tang, He; Sun, Wenke

2018-07-01

The deformations of the Earth caused by internal and external forces are usually expressed through Green's functions or the superposition of normal modes, that is, via numerical methods, which are applicable for computing both co- and post-seismic deformations. It is difficult to express these deformations in an analytical form, even for a uniform viscoelastic sphere. In this study, we present a set of asymptotic solutions for computing co- and post-seismic displacements; these solutions can be further applied to solving co- and post-seismic geoid, gravity and strain changes. Expressions are derived for a uniform Maxwell Earth by combining the reciprocity theorem, which links earthquake, tidal, shear and loading deformations, with the asymptotic solutions of these three external forces (tidal, shear and loading) and analytical inverse Laplace transformation formulae. Since the asymptotic solutions are given in a purely analytical form without series summations or extra convergence skills, they can be practically applied in an efficient way, especially when computing post-seismic deformations and glacial isotactic adjustments of the Earth over long timescales.

Asymptotic Co- and Post-seismic displacements in a homogeneous Maxwell sphere

NASA Astrophysics Data System (ADS)

Tang, He; Sun, Wenke

2018-05-01

The deformations of the Earth caused by internal and external forces are usually expressed through Green's functions or the superposition of normal modes, i.e. via numerical methods, which are applicable for computing both co- and post-seismic deformations. It is difficult to express these deformations in an analytical form, even for a uniform viscoelastic sphere. In this study, we present a set of asymptotic solutions for computing co- and post-seismic displacements; these solutions can be further applied to solving co- and post-seismic geoid, gravity, and strain changes. Expressions are derived for a uniform Maxwell Earth by combining the reciprocity theorem, which links earthquake, tidal, shear and loading deformations, with the asymptotic solutions of these three external forces (tidal, shear and loading) and analytical inverse Laplace transformation formulae. Since the asymptotic solutions are given in a purely analytical form without series summations or extra convergence skills, they can be practically applied in an efficient way, especially when computing post-seismic deformations and glacial isotactic adjustments of the Earth over long timescales.

Improvement of analytical dynamic models using modal test data

NASA Technical Reports Server (NTRS)

Berman, A.; Wei, F. S.; Rao, K. V.

1980-01-01

A method developed to determine maximum changes in analytical mass and stiffness matrices to make them consistent with a set of measured normal modes and natural frequencies is presented. The corrected model will be an improved base for studies of physical changes, boundary condition changes, and for prediction of forced responses. The method features efficient procedures not requiring solutions of the eigenvalue problem, and the ability to have more degrees of freedom than the test data. In addition, modal displacements are obtained for all analytical degrees of freedom, and the frequency dependence of the coordinate transformations is properly treated.

Self-consistent-field perturbation theory for the Schröautdinger equation

NASA Astrophysics Data System (ADS)

Goodson, David Z.

1997-06-01

A method is developed for using large-order perturbation theory to solve the systems of coupled differential equations that result from the variational solution of the Schröautdinger equation with wave functions of product form. This is a noniterative, computationally efficient way to solve self-consistent-field (SCF) equations. Possible applications include electronic structure calculations using products of functions of collective coordinates that include electron correlation, vibrational SCF calculations for coupled anharmonic oscillators with selective coupling of normal modes, and ab initio calculations of molecular vibration spectra without the Born-Oppenheimer approximation.

On Magnetic Dynamos in Thin Accretion Disks around Compact and Young Stars

NASA Technical Reports Server (NTRS)

Stepinski, T. F.

1993-01-01

A variety of geometrically thin accretion disks commonly associated with such astronomical objects as X-ray binaries, cataclysmic variables, and protostars are likely to be seats of MHD dynamo actions. Thin disk geometry and the particular physical environment make accretion disk dynamos different from stellar, planetary, or even galactic dynamos. We discuss those particular features of disk dynamos with emphasis on the difference between protoplanetary disk dynamos and those associated with compact stars. We then describe normal mode solutions for thin disk dynamos and discuss implications for the dynamical behavior of dynamo-magnetized accretion disks.

Protein normal-mode dynamics: trypsin inhibitor, crambin, ribonuclease and lysozyme.

PubMed

Levitt, M; Sander, C; Stern, P S

1985-02-05

We have developed a new method for modelling protein dynamics using normal-mode analysis in internal co-ordinates. This method, normal-mode dynamics, is particularly well suited for modelling collective motion, makes possible direct visualization of biologically interesting modes, and is complementary to the more time-consuming simulation of molecular dynamics trajectories. The essential assumption and limitation of normal-mode analysis is that the molecular potential energy varies quadratically. Our study starts with energy minimization of the X-ray co-ordinates with respect to the single-bond torsion angles. The main technical task is the calculation of second derivative matrices of kinetic and potential energy with respect to the torsion angle co-ordinates. These enter into a generalized eigenvalue problem, and the final eigenvalues and eigenvectors provide a complete description of the motion in the basic 0.1 to 10 picosecond range. Thermodynamic averages of amplitudes, fluctuations and correlations can be calculated efficiently using analytical formulae. The general method presented here is applied to four proteins, trypsin inhibitor, crambin, ribonuclease and lysozyme. When the resulting atomic motion is visualized by computer graphics, it is clear that the motion of each protein is collective with all atoms participating in each mode. The slow modes, with frequencies of below 10 cm-1 (a period of 3 ps), are the most interesting in that the motion in these modes is segmental. The root-mean-square atomic fluctuations, which are dominated by a few slow modes, agree well with experimental temperature factors (B values). The normal-mode dynamics of these four proteins have many features in common, although in the larger molecules, lysozyme and ribonuclease, there is low frequency domain motion about the active site.

Advection modes by optimal mass transfer

NASA Astrophysics Data System (ADS)

Iollo, Angelo; Lombardi, Damiano

2014-02-01

Classical model reduction techniques approximate the solution of a physical model by a limited number of global modes. These modes are usually determined by variants of principal component analysis. Global modes can lead to reduced models that perform well in terms of stability and accuracy. However, when the physics of the model is mainly characterized by advection, the nonlocal representation of the solution by global modes essentially reduces to a Fourier expansion. In this paper we describe a method to determine a low-order representation of advection. This method is based on the solution of Monge-Kantorovich mass transfer problems. Examples of application to point vortex scattering, Korteweg-de Vries equation, and hurricane Dean advection are discussed.

Nonlinear Pressurization and Modal Analysis Procedure for Dynamic Modeling of Inflatable Structures

NASA Technical Reports Server (NTRS)

Smalley, Kurt B.; Tinker, Michael L.; Saxon, Jeff (Technical Monitor)

2002-01-01

An introduction and set of guidelines for finite element dynamic modeling of nonrigidized inflatable structures is provided. A two-step approach is presented, involving 1) nonlinear static pressurization of the structure and updating of the stiffness matrix and 2) hear normal modes analysis using the updated stiffness. Advantages of this approach are that it provides physical realism in modeling of pressure stiffening, and it maintains the analytical convenience of a standard bear eigensolution once the stiffness has been modified. Demonstration of the approach is accomplished through the creation and test verification of an inflated cylinder model using a large commercial finite element code. Good frequency and mode shape comparisons are obtained with test data and previous modeling efforts, verifying the accuracy of the technique. Problems encountered in the application of the approach, as well as their solutions, are discussed in detail.

Noncircular features in Saturn's rings III: The Cassini Division

NASA Astrophysics Data System (ADS)

French, Richard G.; Nicholson, Philip D.; McGhee-French, Colleen A.; Lonergan, Katherine; Sepersky, Talia; Hedman, Mathew M.; Marouf, Essam A.; Colwell, Joshua E.

2016-08-01

We have conducted a comprehensive survey of 22 sharp-edged ringlets and gaps in the Cassini Division of Saturn's rings, making use of nearly 200 high-SNR stellar and radio occultation chords obtained by the Cassini VIMS, UVIS, and RSS instruments between 2005 and 2013. We measure eccentricities from as small as ae = 80 m to nearly 30 km, free normal modes with amplitudes from ∼ 0.1 to 4.1 km, and detectable inclinations as small as asini = 0.2 km. Throughout the entire region, the Mimas 2.1 ILR (inner Lindblad resonance) produces systematic forced m = 2 distortions that quantitatively match the expected amplitudes, phases, and pattern speed. The narrow Russell, Jeffreys, Kuiper, Bessel, and Barnard gaps are simplest, and do not contain dense ringlets. Their outer edges are generally quite sharp and four of them are circular to within ∼0.25 km, whereas most of the inner gap edges have significant eccentricities. Three gaps are more complex, containing one or more isolated ringlets. First among these is the 361 km-wide Huygens gap, containing two ringlets. The wider Huygens ringlet has nearly identical eccentricities on the two edges, in addition to OLR-type (outer Lindblad resonance) normal modes on the inner edge and ILR-type modes on the outer edge. A secondary m = 1 (eccentric) mode is present on the outer edge of the ringlet, with a pattern speed similar to that of the B ring's outer edge. Variations in the ringlet's width are complex, but are statistically consistent with the expected magnitudes resulting from the random superposition of the multiple normal modes on the two edges. Also present in the Huygens gap is the very narrow so-called Strange ringlet, with a substantial eccentricity and inclination, as well as both ILR- and OLR-type normal modes. The 100 km-wide Herschel gap's inner edge is highly eccentric, with at least seven ILR-type normal modes. The outer gap edge is also eccentric, and hosts four OLR-type normal modes, and a secondary m = 1 mode with a pattern speed quite close to that of the B ring's outer edge. The Herschel ringlet itself is eccentric and inclined, but neither the pericenters nor the nodes are well-aligned. The third of the complex gaps is the 241 km-wide Laplace gap, containing the Laplace ringlet. Both gap edges are eccentric, with very similar pericenter longitudes and apsidal precession rates, in spite of their large radial separation. The Laplace ringlet has eccentric edges and an abundance of normal modes. Like the Herschel ringlet, the Laplace ringlet does not precess rigidly and does not conform to the usual dynamical picture of an eccentric ringlet. Normal modes are abundant in the Cassini Division. Consistently, we find free ILR-type normal modes (m > 0) at the outer edges of ringlets and the inner edges of gaps, and free OLR-type normal modes (m ≤ 0) at inner ringlet edges and outer edges of gaps, as expected from the resonant cavity model of normal modes. We estimate the surface density of ring features from the resonance locations of the normal modes. The Cassini Division exhibits apsidal precession rates that are anomalously large, compared to the predicted values based on Saturn's zonal gravity field. The overall radial trend matches the secular contribution expected from the nearby B ring, assuming a surface mass density of Σ = 100 gm cm-2. However, the outer edges of the Huygens and Laplace gaps, and the outer edge of the Laplace ringlet, have conspicuously large residuals, exceeding their predicted precession rates by more than 0 .03∘d-1 . These patterns are probably the result of forcing by nearby ring material, but at present we cannot account for them in detail.

Three-dimensional vibration analysis of a uniform beam with offset inertial masses at the ends

NASA Technical Reports Server (NTRS)

Robertson, D. K.

1985-01-01

Analysis of a flexible beam with displaced end-located inertial masses is presented. The resulting three-dimensional mode shape is shown to consist of two one-plane bending modes and one torsional mode. These three components of the mode shapes are shown to be linear combinations of trigonometric and hyperbolic sine and cosine functions. Boundary conditions are derived to obtain nonlinear algebraic equations through kinematic coupling of the general solutions of the three governing partial differential equations. A method of solution which takes these boundary conditions into account is also presented. A computer program has been written to obtain unique solutions to the resulting nonlinear algebraic equations. This program, which calculates natural frequencies and three-dimensional mode shapes for any number of modes, is presented and discussed.

Resonance Raman spectroscopy of 2H-labelled spheroidenes in petroleum ether and in the Rhodobacter sphaeroides reaction centre.

PubMed

Kok, P; Köhler, J; Groenen, E J; Gebhard, R; van der Hoef, I; Lugtenburg, J; Farhoosh, R; Frank, H A

1997-03-01

As a step towards the structural analysis of the carotenoid spheroidene in the Rhodobacter sphaeroides reaction centre, we present the resonance Raman spectra of 14-2H, 15-2H, 15'-2H, 14'-2H, 14,15'-2H2 and 15-15'-2H2 spheroidenes in petroleum ether and, except for 14,15'-2H2 spheroidene, in the Rb. sphaeroides R26 reaction center (RC). Analysis of the spectral changes upon isotopic substitution allows a qualitative assignment of most of the vibrational bands to be made. For the all-trans spheroidenes in solution the resonance enhancement of the Raman bands is determined by the participation of carbon carbon stretching modes in the centre of the conjugated chain, the C9 to C15' region. For the RC-bound 15,15'-cis spheroidenes, enhancement is determined by the participation of carbon-carbon stretching modes in the centre of the molecule, the C13 to C13' region. Comparison of the spectra in solution and in the RC reveals evidence for an out-of-plane distortion of the RC-bound spheroidene in the central C14 to C14' region of the carotenoid. The characteristic 1240 cm-1 band in the spectrum of the RC-bound spheroidene has been assigned to a normal mode that contains the coupled C12-C13 and C13'-C12' stretch vibrations.

Numerical modelling of bifurcation and localisation in cohesive-frictional materials

NASA Astrophysics Data System (ADS)

de Borst, René

1991-12-01

Methods are reviewed for analysing highly localised failure and bifurcation modes in discretised mechanical systems as typically arise in numerical simulations of failure in soils, rocks, metals and concrete. By the example of a plane-strain biaxial test it is shown that strain softening and lack of normality in elasto-plastic constitutive equations and the ensuing loss of ellipticity of the governing field equations cause a pathological mesh dependence of numerical solutions for such problems, thus rendering the results effectively meaningless. The need for introduction of higher-order continuum models is emphasised to remedy this shortcoming of the conventional approach. For one such a continuum model, namely the unconstrained Cosserat continuum, it is demonstrated that meaningful and convergent solutions (in the sense that a finite width of the localisation zone is computed upon mesh refinement) can be obtained.

Yb-doped passively mode-locked fiber laser with Bi2Te3-deposited

NASA Astrophysics Data System (ADS)

Li, Lu; Yan, Pei-Guang; Wang, Yong-Gang; Duan, Li-Na; Sun, Hang; Si, Jin-Hai

2015-12-01

In this study we present an all-normal-dispersion Yb-doped fiber laser passively mode-locked with topological insulator (Bi2Te3) saturable absorber. The saturable absorber device is fabricated by depositing Bi2Te3 on a tapered fiber through using pulsed laser deposition (PLD) technology, which can give rise to less non-saturable losses than most of the solution processing methods. Owing to the long interaction length, Bi2Te3 is not exposed to high optical power, which allows the saturable absorber device to work in a high power regime. The modulation depth of this kind of saturable absorber is measured to be 10%. By combining the saturable absorber device with Yb-doped fiber laser, a mode-locked pulse operating at a repetition rate of 19.8 MHz is achieved. The 3-dB spectral width and pulse duration are measured to be 1.245 nm and 317 ps, respectively. Project supported by the National Natural Science Foundation of China (Grant No. 61378024) and the Natural Science Fund of Guangdong Province, China (Grant No. S2013010012235).

Equilibrium and stability of flow-dominated Plasmas in the Big Red Ball

NASA Astrophysics Data System (ADS)

Siller, Robert; Flanagan, Kenneth; Peterson, Ethan; Milhone, Jason; Mirnov, Vladimir; Forest, Cary

2017-10-01

The equilibrium and linear stability of flow-dominated plasmas are studied numerically using a spectral techniques to model MRI and dynamo experiments in the Big Red Ball device. The equilibrium code solves for steady-state magnetic fields and plasma flows subject to boundary conditions in a spherical domain. It has been benchmarked with NIMROD (non-ideal MHD with rotation - open discussion), Two different flow scenarios are studied. The first scenario creates a differentially rotating toroidal flow that is peaked at the center. This is done to explore the onset of the magnetorotational instability (MRI) in a spherical geometry. The second scenario creates a counter-rotating von Karman-like flow in the presence of a weak magnetic field. This is done to explore the plasma dynamo instability in the limit of a weak applied field. Both scenarios are numerically modeled as axisymmetric flow to create a steady-state equilibrium solution, the stability and normal modes are studied in the lowest toroidal mode number. The details of the observed flow, and the structure of the fastest growing modes will be shown. DoE, NSF.

Polyad breaking phenomenon associated with a local-to-normal mode transition and suitability to estimate force constants

NASA Astrophysics Data System (ADS)

Bermúdez-Montaña, M.; Lemus, R.; Castaños, O.

2017-12-01

In a system of two interacting harmonic oscillators a local-to-normal mode transition is manifested as a polyad breaking phenomenon. This phenomenon is associated with the suitability to estimate zeroth-order force constants in the framework of a local mode description. This transition is also exhibited in two interacting Morse oscillators. To study this case, an appropriate parameterisation going from a molecule with local mode behaviour (H2O) to a molecule presenting a normal mode behaviour (CO2) is introduced. Concepts from quantum mechanics like fidelity, entropy and probability density, as well from nonlinear classical mechanics like Poincaré sections are used to detect the transition region. It is found that fidelity and entropy are sensitive complementary properties to detect the local-to-normal transition. Poincaré sections allow the local-to-normal transition to be detected through the appearance of chaos as a consequence of the polyad breaking phenomenon. In addition, two kinds of avoided energy crossings are identified in accordance with the different regions of the spectrum.

On Three-dimensional Structures in Relativistic Hydrodynamic Jets

NASA Astrophysics Data System (ADS)

Hardee, Philip E.

2000-04-01

The appearance of wavelike helical structures on steady relativistic jets is studied using a normal mode analysis of the linearized fluid equations. Helical structures produced by the normal modes scale relative to the resonant (most unstable) wavelength and not with the absolute wavelength. The resonant wavelength of the normal modes can be less than the jet radius even on highly relativistic jets. High-pressure regions helically twisted around the jet beam may be confined close to the jet surface, penetrate deeply into the jet interior, or be confined to the jet interior. The high-pressure regions range from thin and ribbon-like to thick and tubelike depending on the mode and wavelength. The wave speeds can be significantly different at different wavelengths but are less than the flow speed. The highest wave speed for the jets studied has a Lorentz factor somewhat more than half that of the underlying flow speed. A maximum pressure fluctuation criterion found through comparison between theory and a set of relativistic axisymmetric jet simulations is applied to estimate the maximum amplitudes of the helical, elliptical, and triangular normal modes. Transverse velocity fluctuations for these asymmetric modes are up to twice the amplitude of those associated with the axisymmetric pinch mode. The maximum amplitude of jet distortions and the accompanying velocity fluctuations at, for example, the resonant wavelength decreases as the Lorentz factor increases. Long-wavelength helical surface mode and shorter wavelength helical first body mode generated structures should be the most significant. Emission from high-pressure regions as they twist around the jet beam can vary significantly as a result of angular variation in the flow direction associated with normal mode structures if they are viewed at about the beaming angle θ=1/γ. Variation in the Doppler boost factor can lead to brightness asymmetries by factors up to 6 as long-wavelength helical structure produced by the helical surface mode winds around the jet. Higher order surface modes and first body modes produce less variation. Angular variation in the flow direction associated with the helical mode appears consistent with precessing jet models that have been proposed to explain the variability in 3C 273 and BL Lac object AO 0235+164. In particular, cyclic angular variation in the flow direction produced by the normal modes could produce the activity seen in BL Lac object OJ 287. Jet precession provides a mechanism for triggering the helical modes on multiple length scales, e.g., the galactic superluminal GRO J1655-40.

Comment on "Exact solution of resonant modes in a rectangular resonator".

PubMed

Gutiérrez-Vega, Julio C; Bandres, Miguel A

2006-08-15

We comment on the recent Letter by J. Wu and A. Liu [Opt. Lett. 31, 1720 (2006)] in which an exact scalar solution to the resonant modes and the resonant frequencies in a two-dimensional rectangular microcavity were presented. The analysis is incorrect because (a) the field solutions were imposed to satisfy simultaneously both Dirichlet and Neumann boundary conditions at the four sides of the rectangle, leading to an overdetermined problem, and (b) the modes in the cavity were expanded using an incorrect series ansatz, leading to an expression for the mode fields that does not satisfy the Helmholtz equation.

Quasi-Normal Modes of Stars and Black Holes.

PubMed

Kokkotas, Kostas D; Schmidt, Bernd G

1999-01-01

Perturbations of stars and black holes have been one of the main topics of relativistic astrophysics for the last few decades. They are of particular importance today, because of their relevance to gravitational wave astronomy. In this review we present the theory of quasi-normal modes of compact objects from both the mathematical and astrophysical points of view. The discussion includes perturbations of black holes (Schwarzschild, Reissner-Nordström, Kerr and Kerr-Newman) and relativistic stars (non-rotating and slowly-rotating). The properties of the various families of quasi-normal modes are described, and numerical techniques for calculating quasi-normal modes reviewed. The successes, as well as the limits, of perturbation theory are presented, and its role in the emerging era of numerical relativity and supercomputers is discussed.

Atmospheric resonances of the Rayleigh and tsunami normal modes and its sensitivity to local time and geographical location.

NASA Astrophysics Data System (ADS)

Rakoto, V.; Astafyeva, E.; Lognonne, P. H.

2017-12-01

It is known that natural hazard events, such as earthquakes, tsunamis, volcano eruptions, etc. can generate atmospheric/ionospheric perturbations. During earthquakes, vertical displacements of the ground or of the ocean floor generate acoustic-gravity waves that further propagate upward in the upper atmosphere and ionosphere. In turn, tsunamis propagating in the open sea, generate gravity waves which propagate obliquely and reach the ionosphere in 45-60 min. The properties of the atmospheric "channel" in the vertical and oblique propagation depend on a variety of factors such as solar and geomagnetic conditions, latitude, local time, season, and their influence on propagation and properties of co-seismic and co-tsunamic perturbations is not well understood yet. In this work, we use present a detailed study of the coupling efficiency between solid earth, ocean and atmosphere. For this purpose, we use the normal mode technique extended to the whole solid Earth-ocean-atmosphere system. In our study, we focus on the Rayleigh modes (solid modes) and tsunami modes (oceanic modes). As the normal modes amplitude are also depending on the spatial and temporal variation of the structure of the atmosphere, we also performed a sensitivity study location of the normal modes amplitude with local time and geographical position.

Normal modes of weak colloidal gels

NASA Astrophysics Data System (ADS)

Varga, Zsigmond; Swan, James W.

2018-01-01

The normal modes and relaxation rates of weak colloidal gels are investigated in calculations using different models of the hydrodynamic interactions between suspended particles. The relaxation spectrum is computed for freely draining, Rotne-Prager-Yamakawa, and accelerated Stokesian dynamics approximations of the hydrodynamic mobility in a normal mode analysis of a harmonic network representing several colloidal gels. We find that the density of states and spatial structure of the normal modes are fundamentally altered by long-ranged hydrodynamic coupling among the particles. Short-ranged coupling due to hydrodynamic lubrication affects only the relaxation rates of short-wavelength modes. Hydrodynamic models accounting for long-ranged coupling exhibit a microscopic relaxation rate for each normal mode, λ that scales as l-2, where l is the spatial correlation length of the normal mode. For the freely draining approximation, which neglects long-ranged coupling, the microscopic relaxation rate scales as l-γ, where γ varies between three and two with increasing particle volume fraction. A simple phenomenological model of the internal elastic response to normal mode fluctuations is developed, which shows that long-ranged hydrodynamic interactions play a central role in the viscoelasticity of the gel network. Dynamic simulations of hard spheres that gel in response to short-ranged depletion attractions are used to test the applicability of the density of states predictions. For particle concentrations up to 30% by volume, the power law decay of the relaxation modulus in simulations accounting for long-ranged hydrodynamic interactions agrees with predictions generated by the density of states of the corresponding harmonic networks as well as experimental measurements. For higher volume fractions, excluded volume interactions dominate the stress response, and the prediction from the harmonic network density of states fails. Analogous to the Zimm model in polymer physics, our results indicate that long-ranged hydrodynamic interactions play a crucial role in determining the microscopic dynamics and macroscopic properties of weak colloidal gels.

Topography-coupled resonance between Mars normal-modes and the tidal force of the Phobos

NASA Astrophysics Data System (ADS)

Tian, Y.; Zheng, Y.

2016-12-01

Phobos is the largest moon of Mars. The gravity attraction of Phobos to Mars is a periodic force, which may excite seismic waves inside Mars. Since Phobos is below the synchronous orbit, its orbit is continuously decreasing due to the tidal effect. This will result in a monotonic increase in its orbital frequency, which may eventually intrude into the seismic normal-mode frequency range to cause resonance. The objective of this research is to investigate whether such a resonance phenomenon can occur and what the consequence is. As we know, resonance happens when the periodic tidal force has a similar frequency as that of martian normal modes. It can be shown that such a resonance will not occur if Mars is perfectly spherical because the tidal force can only excite modes of the same angular order. For the same angular order, the tidal force frequencies are always smaller than those of the normal modes. However, when we consider the effect of topography of Mars, the resonance can occur because of coupling of normal modes. We use numerical method to calculate when the resonance will occur. We firstly solve for the normal modes of Mars by idealizing it as a solid elastic sphere. At the second step, we calculate the excitation effect of gravitational force from Phobos on each individual normal mode. For example, the gravity tidal force F at L=5, m=5 F55 can excite a normal mode 0S5 which can be coupled to 0T2. The third step is to calculate the frequency that the resonance will happen. For example, when the rotation frequency of Phobos increase to 0.8 mRad/s, the tidal force at L=5, m=5 can reach 4mRad/s which is the eigen-frequency of 0T2. Since we have calculated the coupling factors between each individual mode, the amplitude coefficients can be solved by a linear equation. We can observe a 100 times of amplitude increase of mode 0T2, which convince us the resonance will happen. The resonance may cause large amplitude of ground vibration of Mars. From our calculation, when the resonance happen, the energy dissipation rate will be greatly increased, which will make Phobos falling much faster. Eventually, Phobos will hit Mars in a very short time. Our research may give us a new prospective on early formation of planets.

Comparative study of various normal mode analysis techniques based on partial Hessians.

PubMed

Ghysels, An; Van Speybroeck, Veronique; Pauwels, Ewald; Catak, Saron; Brooks, Bernard R; Van Neck, Dimitri; Waroquier, Michel

2010-04-15

Standard normal mode analysis becomes problematic for complex molecular systems, as a result of both the high computational cost and the excessive amount of information when the full Hessian matrix is used. Several partial Hessian methods have been proposed in the literature, yielding approximate normal modes. These methods aim at reducing the computational load and/or calculating only the relevant normal modes of interest in a specific application. Each method has its own (dis)advantages and application field but guidelines for the most suitable choice are lacking. We have investigated several partial Hessian methods, including the Partial Hessian Vibrational Analysis (PHVA), the Mobile Block Hessian (MBH), and the Vibrational Subsystem Analysis (VSA). In this article, we focus on the benefits and drawbacks of these methods, in terms of the reproduction of localized modes, collective modes, and the performance in partially optimized structures. We find that the PHVA is suitable for describing localized modes, that the MBH not only reproduces localized and global modes but also serves as an analysis tool of the spectrum, and that the VSA is mostly useful for the reproduction of the low frequency spectrum. These guidelines are illustrated with the reproduction of the localized amine-stretch, the spectrum of quinine and a bis-cinchona derivative, and the low frequency modes of the LAO binding protein. 2009 Wiley Periodicals, Inc.

Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians

PubMed Central

GHYSELS, AN; VAN SPEYBROECK, VERONIQUE; PAUWELS, EWALD; CATAK, SARON; BROOKS, BERNARD R.; VAN NECK, DIMITRI; WAROQUIER, MICHEL

2014-01-01

Standard normal mode analysis becomes problematic for complex molecular systems, as a result of both the high computational cost and the excessive amount of information when the full Hessian matrix is used. Several partial Hessian methods have been proposed in the literature, yielding approximate normal modes. These methods aim at reducing the computational load and/or calculating only the relevant normal modes of interest in a specific application. Each method has its own (dis)advantages and application field but guidelines for the most suitable choice are lacking. We have investigated several partial Hessian methods, including the Partial Hessian Vibrational Analysis (PHVA), the Mobile Block Hessian (MBH), and the Vibrational Subsystem Analysis (VSA). In this article, we focus on the benefits and drawbacks of these methods, in terms of the reproduction of localized modes, collective modes, and the performance in partially optimized structures. We find that the PHVA is suitable for describing localized modes, that the MBH not only reproduces localized and global modes but also serves as an analysis tool of the spectrum, and that the VSA is mostly useful for the reproduction of the low frequency spectrum. These guidelines are illustrated with the reproduction of the localized amine-stretch, the spectrum of quinine and a bis-cinchona derivative, and the low frequency modes of the LAO binding protein. PMID:19813181

Dynamic growth of mixed-mode shear cracks

USGS Publications Warehouse

Andrews, D.J.

1994-01-01

A pure mode II (in-plane) shear crack cannot propagate spontaneously at a speed between the Rayleigh and S-wave speeds, but a three-dimensional (3D) or two-dimensional (2D) mixed-mode shear crack can propagate in this range, being driven by the mode III (antiplane) component. Two different analytic solutions have been proposed for the mode II component in this case. The first is the solution valid for crack speed less than the Rayleigh speed. When applied above the Rayleigh speed, it predicts a negative stress intensity factor, which implies that energy is generated at the crack tip. Burridge proposed a second solution, which is continuous at the crack tip, but has a singularity in slip velocity at the Rayleigh wave. Spontaneous propagation of a mixed-mode rupture has been calculated with a slip-weakening friction law, in which the slip velocity vector is colinear with the total traction vector. Spontaneous trans-Rayleigh rupture speed has been found. The solution depends on the absolute stress level. The solution for the in-plane component appears to be a superposition of smeared-out versions of the two analytic solutions. The proportion of the first solution increases with increasing absolute stress. The amplitude of the negative in-plane traction pulse is less than the absolute final sliding traction, so that total in-plane traction does not reverse. The azimuth of the slip velocity vector varies rapidly between the onset of slip and the arrival of the Rayleigh wave. The variation is larger at smaller absolute stress.

Interference effects on guided Cherenkov emission in silicon from perpendicular, oblique, and parallel boundaries

NASA Astrophysics Data System (ADS)

Couillard, M.; Yurtsever, A.; Muller, D. A.

2010-05-01

Waveguide electromagnetic modes excited by swift electrons traversing Si slabs at normal and oblique incidence are analyzed using monochromated electron energy-loss spectroscopy and interpreted using a local dielectric theory that includes relativistic effects. At normal incidence, sharp spectral features in the visible/near-infrared optical domain are directly assigned to p -polarized modes. When the specimen is tilted, s -polarized modes, which are completely absent at normal incidence, become visible in the loss spectra. In the tilted configuration, the dispersion of p -polarized modes is also modified. For tilt angles higher than ˜50° , Cherenkov radiation, the phenomenon responsible for the excitation of waveguide modes, is expected to partially escape the silicon slab and the influence of this effect on experimental measurements is discussed. Finally, we find evidence for an interference effect at parallel Si/SiO2 interfaces, as well as a delocalized excitation of guided Cherenkov modes.

A modal approach based on perfectly matched layers for the forced response of elastic open waveguides

NASA Astrophysics Data System (ADS)

Gallezot, M.; Treyssède, F.; Laguerre, L.

2018-03-01

This paper investigates the computation of the forced response of elastic open waveguides with a numerical modal approach based on perfectly matched layers (PML). With a PML of infinite thickness, the solution can theoretically be expanded as a discrete sum of trapped modes, a discrete sum of leaky modes and a continuous sum of radiation modes related to the PML branch cuts. Yet with numerical methods (e.g. finite elements), the waveguide cross-section is discretized and the PML must be truncated to a finite thickness. This truncation transforms the continuous sum into a discrete set of PML modes. To guarantee the uniqueness of the numerical solution of the forced response problem, an orthogonality relationship is proposed. This relationship is applicable to any type of modes (trapped, leaky and PML modes) and hence allows the numerical solution to be expanded on a discrete sum in a convenient manner. This also leads to an expression for the modal excitability valid for leaky modes. The physical relevance of each type of mode for the solution is clarified through two numerical test cases, a homogeneous medium and a circular bar waveguide example, excited by a point source. The former is favourably compared to a transient analytical solution, showing that PML modes reassemble the bulk wave contribution in a homogeneous medium. The latter shows that the PML mode contribution yields the long-term diffraction phenomenon whereas the leaky mode contribution prevails closer to the source. The leaky mode contribution is shown to remain accurate even with a relatively small PML thickness, hence reducing the computational cost. This is of particular interest for solving three-dimensional waveguide problems, involving two-dimensional cross-sections of arbitrary shapes. Such a problem is handled in a third numerical example by considering a buried square bar.

Ion aggregation in high salt solutions. III. Computational vibrational spectroscopy of HDO in aqueous salt solutions

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

Choi, Jun-Ho; Lim, Sohee; Chon, Bonghwan

The vibrational frequency, frequency fluctuation dynamics, and transition dipole moment of the O—D stretch mode of HDO molecule in aqueous solutions are strongly dependent on its local electrostatic environment and hydrogen-bond network structure. Therefore, the time-resolved vibrational spectroscopy the O—D stretch mode has been particularly used to investigate specific ion effects on water structure. Despite prolonged efforts to understand the interplay of O—D vibrational dynamics with local water hydrogen-bond network and ion aggregate structures in high salt solutions, still there exists a gap between theory and experiment due to a lack of quantitative model for accurately describing O—D stretch frequencymore » in high salt solutions. To fill this gap, we have performed numerical simulations of Raman scattering and IR absorption spectra of the O—D stretch mode of HDO in highly concentrated NaCl and KSCN solutions and compared them with experimental results. Carrying out extensive quantum chemistry calculations on not only water clusters but also ion-water clusters, we first developed a distributed vibrational solvatochromic charge model for the O—D stretch mode in aqueous salt solutions. Furthermore, the non-Condon effect on the vibrational transition dipole moment of the O—D stretch mode was fully taken into consideration with the charge response kernel that is non-local polarizability density. From the fluctuating O—D stretch mode frequencies and transition dipole vectors obtained from the molecular dynamics simulations, the O—D stretch Raman scattering and IR absorption spectra of HDO in salt solutions could be calculated. The polarization effect on the transition dipole vector of the O—D stretch mode is shown to be important and the asymmetric line shapes of the O—D stretch Raman scattering and IR absorption spectra of HDO especially in highly concentrated NaCl and KSCN solutions are in quantitative agreement with experimental results. We anticipate that this computational approach will be of critical use in interpreting linear and nonlinear vibrational spectroscopies of HDO molecule that is considered as an excellent local probe for monitoring local electrostatic and hydrogen-bonding environment in not just salt but also other confined and crowded solutions.« less

Helicon normal modes in Proto-MPEX

NASA Astrophysics Data System (ADS)

Piotrowicz, P. A.; Caneses, J. F.; Green, D. L.; Goulding, R. H.; Lau, C.; Caughman, J. B. O.; Rapp, J.; Ruzic, D. N.

2018-05-01

The Proto-MPEX helicon source has been operating in a high electron density ‘helicon-mode’. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the ‘helicon-mode’. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besides directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region. ).

Possibility of observation of polaron normal modes at the far-infrared spectrum of acetanilide and related organics

NASA Astrophysics Data System (ADS)

Kalosakas, G.; Aubry, S.; Tsironis, G. P.

1998-10-01

We use a stationary and normal mode analysis of the semiclassical Holstein model in order to connect the low-frequency linear polaron modes to low-lying far-infrared lines of the acetanilide spectrum and through parameter fitting we comment on the validity of the polaron results in this system.

Nonlinear surface elastic modes in crystals

NASA Astrophysics Data System (ADS)

Gorentsveig, V. I.; Kivshar, Yu. S.; Kosevich, A. M.; Syrkin, E. S.

1990-03-01

The influence of nonlinearity on shear horizontal surface elastic waves in crystals is described on the basis of the effective nonlinear Schrödinger equation. It is shown that the corresponding solutions form a set of surface modes and the simplest mode coincides with the solution proposed by Mozhaev. The higher order modes have internal frequencies caused by the nonlinearity. All these modes decay in the crystal as uoexp(- z/ zo) atz≫ zo- u o-1 ( z is the distance from the crystal surface, uo the wave amplitude at the surface). The creation of the modes from a localized surface excitation has a threshold. The stability of the modes is discussed.

"I Treat Him as a Normal Patient": Unveiling the Normalization Coping Strategy Among Formal Caregivers of Persons With Dementia and Its Implications for Person-Centered Care.

PubMed

Bentwich, Miriam Ethel; Dickman, Nomy; Oberman, Amitai; Bokek-Cohen, Ya'arit

2017-11-01

Currently, 47 million people have dementia, worldwide, often requiring paid care by formal caregivers. Research regarding family caregivers suggests normalization as a model for coping with negative emotional outcomes in caring for a person with dementia (PWD). The study aims to explore whether normalization coping mechanism exists among formal caregivers, reveal differences in its application among cross-cultural caregivers, and examine how this coping mechanism may be related to implementing person-centered care for PWDs. Content analysis of interviews with 20 formal caregivers from three cultural groups (Jews born in Israel [JI], Arabs born in Israel [AI], Russian immigrants [RI]), attending to PWDs. We extracted five normalization modes, revealing AI caregivers had substantially more utterances of normalization expressions than their colleagues. The normalization modes most commonly expressed by AI caregivers relate to the personhood of PWDs. These normalization modes may enhance formal caregivers' ability to employ person-centered care.

SWRT: A package for semi-analytical solutions of surface wave propagation, including mode conversion, across transversely aligned vertical discontinuities

NASA Astrophysics Data System (ADS)

Datta, Arjun

2018-03-01

We present a suite of programs that implement decades-old algorithms for computation of seismic surface wave reflection and transmission coefficients at a welded contact between two laterally homogeneous quarter-spaces. For Love as well as Rayleigh waves, the algorithms are shown to be capable of modelling multiple mode conversions at a lateral discontinuity, which was not shown in the original publications or in the subsequent literature. Only normal incidence at a lateral boundary is considered so there is no Love-Rayleigh coupling, but incidence of any mode and coupling to any (other) mode can be handled. The code is written in Python and makes use of SciPy's Simpson's rule integrator and NumPy's linear algebra solver for its core functionality. Transmission-side results from this code are found to be in good agreement with those from finite-difference simulations. In today's research environment of extensive computing power, the coded algorithms are arguably redundant but SWRT can be used as a valuable testing tool for the ever evolving numerical solvers of seismic wave propagation. SWRT is available via GitHub (https://github.com/arjundatta23/SWRT.git).

Magnetic Helicity of Alfven Simple Waves

NASA Technical Reports Server (NTRS)

Webb, Gary M.; Hu, Q.; Dasgupta, B.; Zank, G. P.; Roberts, D.

2010-01-01

The magnetic helicity of fully nonlinear, multi-dimensional Alfven simple waves are investigated, by using relative helicity formulae and also by using an approach involving poloidal and toroidal decomposition of the magnetic field and magnetic vector potential. Different methods to calculate the magnetic vector potential are used, including the homotopy and Biot-Savart formulas. Two basic Alfven modes are identified: (a) the plane 1D Alfven simple wave given in standard texts, in which the Alfven wave propagates along the z-axis, with wave phase varphi=k_0(z-lambda t), where k_0 is the wave number and lambda is the group velocity of the wave, and (b)\\ the generalized Barnes (1976) simple Alfven wave in which the wave normal {bf n} moves in a circle in the xy-plane perpendicular to the mean field, which is directed along the z-axis. The plane Alfven wave (a) is analogous to the slab Alfven mode and the generalized Barnes solution (b) is analogous to the 2D mode in Alfvenic, incompressible turbulence. The helicity characteristics of these two basic Alfven modes are distinct. The helicity characteristics of more general multi-dimensional simple Alfven waves are also investigated. Applications to nonlinear Aifvenic fluctuations and structures observed in the solar wind are discussed.

Note on: 'EMLCLLER-A program for computing the EM response of a large loop source over a layered earth model' by N.P. Singh and T. Mogi, Computers & Geosciences 29 (2003) 1301-1307

NASA Astrophysics Data System (ADS)

Jamie, Majid

2016-11-01

Singh and Mogi (2003) presented a forward modeling (FWD) program, coded in FORTRAN 77 called "EMLCLLER", which is capable of computing the frequency-domain electromagnetic (EM) response of a large circular loop, in terms of vertical magnetic component (Hz), over 1D layer earth models; computations at this program could be performed by assuming variable transmitter-receiver configurations and incorporating both conduction and displacement currents into computations. Integral equations at this program are computed through digital linear filters based on the Hankel transforms together with analytic solutions based on hyper-geometric functions. Despite capabilities of EMLCLLER, there are some mistakes at this program that make its FWD results unreliable. The mistakes in EMLCLLER arise in using wrong algorithm for computing reflection coefficient of the EM wave in TE-mode (rTE), and using flawed algorithms for computing phase and normalized phase values relating to Hz; in this paper corrected form of these mistakes are presented. Moreover, in order to illustrate how these mistakes can affect FWD results, EMLCLLER and corrected version of this program presented in this paper titled "EMLCLLER_Corr" are conducted on different two- and three-layered earth models; afterwards their FWD results in terms of real and imaginary parts of Hz, its normalized amplitude, and the corresponding normalized phase curves are plotted versus frequency and compared to each other. In addition, in Singh and Mogi (2003) extra derivations for computing radial component of the magnetic field (Hr) and angular component of the electric field (Eϕ) are also presented where the numerical solution presented for Hr is incorrect; in this paper the correct numerical solution for this derivation is also presented.

Secular instabilities of Keplerian stellar discs

NASA Astrophysics Data System (ADS)

Kaur, Karamveer; Kazandjian, Mher V.; Sridhar, S.; Touma, Jihad R.

2018-05-01

We present idealized models of a razor-thin, axisymmetric, Keplerian stellar disc around a massive black hole, and study non-axisymmetric secular instabilities in the absence of either counter-rotation or loss cones. These discs are prograde mono-energetic waterbags, whose phase-space distribution functions are constant for orbits within a range of eccentricities (e) and zero outside this range. The linear normal modes of waterbags are composed of sinusoidal disturbances of the edges of distribution function in phase space. Waterbags that include circular orbits (polarcaps) have one stable linear normal mode for each azimuthal wavenumber m. The m = 1 mode always has positive pattern speed and, for polarcaps consisting of orbits with e < 0.9428, only the m = 1 mode has positive pattern speed. Waterbags excluding circular orbits (bands) have two linear normal modes for each m, which can be stable or unstable. We derive analytical expressions for the instability condition, pattern speeds, growth rates, and normal mode structure. Narrow bands are unstable to modes with a wide range in m. Numerical simulations confirm linear theory and follow the non-linear evolution of instabilities. Long-time integration suggests that instabilities of different m grow, interact non-linearly, and relax collisionlessly to a coarse-grained equilibrium with a wide range of eccentricities.

Electronic and elastic mode locking in charge density wave conductors

NASA Astrophysics Data System (ADS)

Zettl, A.

1986-12-01

Mode locking phenomena are investigated in the charge density wave (CDW) materials NbSe 3 and TaS 3. The joint application of ac and dc electric fields results in free running and mode locked solutions for the CDW drift velocity, with associated ac-induced dynamic coherence lengths ξ D(ac) on the order of several hundred microns. The electronic response couples directly to the elastic properties of the crystal, with corresponding free running and mode locked solutions for the velocity of sound. Phase slip center-induced discontinuities in the CDW phase velocity lead to mode locked solutions with period doubling routes to chaos, and noisy precursor effects at bifurcation points. These results are discussed in terms of simple models of CDW domain synchronization, and internal CDW dynamics.

Fast normal mode computations of capsid dynamics inspired by resonance

NASA Astrophysics Data System (ADS)

Na, Hyuntae; Song, Guang

2018-07-01

Increasingly more and larger structural complexes are being determined experimentally. The sizes of these systems pose a formidable computational challenge to the study of their vibrational dynamics by normal mode analysis. To overcome this challenge, this work presents a novel resonance-inspired approach. Tests on large shell structures of protein capsids demonstrate that there is a strong resonance between the vibrations of a whole capsid and those of individual capsomeres. We then show how this resonance can be taken advantage of to significantly speed up normal mode computations.

FIBER AND INTEGRATED OPTICS: Propagation of radiation in a light-induced active waveguide

NASA Astrophysics Data System (ADS)

Afanas'ev, Anatolii A.; Samson, B. A.; Drits, V. V.; Yukhimenko, S. I.; Yakite, R. V.

1990-10-01

An investigation is reported of the properties of the normal modes of an active light-induced waveguide. It is shown that, in contrast to a dielectric waveguide, the presence of the active component may increase considerably the number of the normal modes and the angles of their scattering. In the case of an active light-induced waveguide in the form of a thin filament the normal modes exist and are amplified only in the case when the nonlinear correction to the refractive index is positive.

Normal-Mode Splitting in a Weakly Coupled Optomechanical System

NASA Astrophysics Data System (ADS)

Rossi, Massimiliano; Kralj, Nenad; Zippilli, Stefano; Natali, Riccardo; Borrielli, Antonio; Pandraud, Gregory; Serra, Enrico; Di Giuseppe, Giovanni; Vitali, David

2018-02-01

Normal-mode splitting is the most evident signature of strong coupling between two interacting subsystems. It occurs when two subsystems exchange energy between themselves faster than they dissipate it to the environment. Here we experimentally show that a weakly coupled optomechanical system at room temperature can manifest normal-mode splitting when the pump field fluctuations are antisquashed by a phase-sensitive feedback loop operating close to its instability threshold. Under these conditions the optical cavity exhibits an effectively reduced decay rate, so that the system is effectively promoted to the strong coupling regime.

Quadratic curvature terms and deformed Schwarzschild-de Sitter black hole analogues in the laboratory

NASA Astrophysics Data System (ADS)

da Rocha, R.; Sobreiro, R. F.; Tomaz, A. A.

2017-12-01

Sound waves on a fluid stream, in a de Laval nozzle, are shown to correspond to quasinormal modes emitted by black holes that are physical solutions in a quadratic curvature gravity with cosmological constant. Sound waves patterns in transsonic regimes at a laboratory are employed here to provide experimental data regarding generalized theories of gravity, comprised by the exact de Sitter-like solution and a perturbative solution around the Schwarzschild-de Sitter standard solution as well. Using the classical tests of General Relativity to bound free parameters in these solutions, acoustic perturbations on fluid flows in nozzles are then regarded, to study quasinormal modes of these black holes solutions, providing deviations of the de Laval nozzle cross-sectional area, when compared to the Schwarzschild solution. The fluid sonic point in the nozzle, for sound waves in the fluid, is shown to implement the acoustic event horizon corresponding to quasinormal modes.

A Study of First-Year Chemistry Students' Understanding of Solution Concentration at the Tertiary Level

ERIC Educational Resources Information Center

de Berg, Kevin

2012-01-01

This paper reports on students' understanding of sugar concentration in aqueous solutions presented in two different modes: a visual submicroscopic mode for particles and a verbal mode referring to macroscopic amounts of sugar. One hundred and forty-five tertiary college students studying some form of first-year chemistry participated in the…

A reduced order, test verified component mode synthesis approach for system modeling applications

NASA Astrophysics Data System (ADS)

Butland, Adam; Avitabile, Peter

2010-05-01

Component mode synthesis (CMS) is a very common approach used for the generation of large system models. In general, these modeling techniques can be separated into two categories: those utilizing a combination of constraint modes and fixed interface normal modes and those based on a combination of free interface normal modes and residual flexibility terms. The major limitation of the methods utilizing constraint modes and fixed interface normal modes is the inability to easily obtain the required information from testing; the result of this limitation is that constraint mode-based techniques are primarily used with numerical models. An alternate approach is proposed which utilizes frequency and shape information acquired from modal testing to update reduced order finite element models using exact analytical model improvement techniques. The connection degrees of freedom are then rigidly constrained in the test verified, reduced order model to provide the boundary conditions necessary for constraint modes and fixed interface normal modes. The CMS approach is then used with this test verified, reduced order model to generate the system model for further analysis. A laboratory structure is used to show the application of the technique with both numerical and simulated experimental components to describe the system and validate the proposed approach. Actual test data is then used in the approach proposed. Due to typical measurement data contaminants that are always included in any test, the measured data is further processed to remove contaminants and is then used in the proposed approach. The final case using improved data with the reduced order, test verified components is shown to produce very acceptable results from the Craig-Bampton component mode synthesis approach. Use of the technique with its strengths and weaknesses are discussed.

Simulation of light propagation in the thin-film waveguide lens

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Evaluation of Geometrically Nonlinear Reduced Order Models with Nonlinear Normal Modes

DOE PAGES

Kuether, Robert J.; Deaner, Brandon J.; Hollkamp, Joseph J.; ...

2015-09-15

Several reduced-order modeling strategies have been developed to create low-order models of geometrically nonlinear structures from detailed finite element models, allowing one to compute the dynamic response of the structure at a dramatically reduced cost. But, the parameters of these reduced-order models are estimated by applying a series of static loads to the finite element model, and the quality of the reduced-order model can be highly sensitive to the amplitudes of the static load cases used and to the type/number of modes used in the basis. Our paper proposes to combine reduced-order modeling and numerical continuation to estimate the nonlinearmore » normal modes of geometrically nonlinear finite element models. Not only does this make it possible to compute the nonlinear normal modes far more quickly than existing approaches, but the nonlinear normal modes are also shown to be an excellent metric by which the quality of the reduced-order model can be assessed. Hence, the second contribution of this work is to demonstrate how nonlinear normal modes can be used as a metric by which nonlinear reduced-order models can be compared. Moreover, various reduced-order models with hardening nonlinearities are compared for two different structures to demonstrate these concepts: a clamped–clamped beam model, and a more complicated finite element model of an exhaust panel cover.« less

Cryoprotectants: A review of the actions and applications of cryoprotective solutes that modulate cell recovery from ultra-low temperatures.

PubMed

Elliott, Gloria D; Wang, Shangping; Fuller, Barry J

2017-06-01

Cryopreservation has become a central technology in many areas of clinical medicine, biotechnology, and species conservation within both plant and animal biology. Cryoprotective agents (CPAs) invariably play key roles in allowing cells to be processed for storage at deep cryogenic temperatures and to be recovered with high levels of appropriate functionality. As such, these CPA solutes possess a wide range of metabolic and biophysical effects that are both necessary for their modes of action, and potentially complicating for cell biological function. Early successes with cryopreservation were achieved by empirical methodology for choosing and applying CPAs. In recent decades, it has been possible to assemble objective information about CPA modes of action and to optimize their application to living systems, but there still remain significant gaps in our understanding. This review sets out the current status on the biological and chemical knowledge surrounding CPAs, and the conflicting effects of protection versus toxicity resulting from the use of these solutes, which are often required in molar concentrations, far exceeding levels found in normal metabolism. The biophysical properties of CPAs that allow them to facilitate different approaches to cryogenic storage, including vitrification, are highlighted. The topics are discussed with reference to the historical background of applying CPAs, and the relevance of cryoprotective solutes in natural freeze tolerant organisms. Improved cryopreservation success will be an essential step in many future areas such as regenerative medicine, seed banking, or stem cell technology. To achieve this, we will need to further improve our understanding of cryobiology, where better and safer CPAs will be key requirements. Copyright © 2017 Elsevier Inc. All rights reserved.

Tidal estimation in the Atlantic and Indian Oceans, 3 deg x 3 deg solution

NASA Technical Reports Server (NTRS)

Sanchez, Braulio V.; Rao, Desiraju B.; Steenrod, Stephen D.

1987-01-01

An estimation technique was developed to extrapolate tidal amplitudes and phases over entire ocean basins using existing gauge data and the altimetric measurements provided by satellite oceanography. The technique was previously tested. Some results obtained by using a 3 deg by 3 deg grid are presented. The functions used in the interpolation are the eigenfunctions of the velocity (Proudman functions) which are computed numerically from a knowledge of the basin's bottom topography, the horizontal plan form and the necessary boundary conditions. These functions are characteristic of the particular basin. The gravitational normal modes of the basin are computed as part of the investigation; they are used to obtain the theoretical forced solutions for the tidal constituents. The latter can provide the simulated data for the testing of the method and serve as a guide in choosing the most energetic functions for the interpolation.

Modal sound transmission loss of a single leaf panel: Asymptotic solutions.

PubMed

Wang, Chong

2015-12-01

In a previously published paper [C. Wang, J. Acoust. Soc. Am. 137(6), 3514-3522 (2015)], the modal sound transmission coefficients of a single leaf panel were discussed with regard to the inter-modal coupling effects. By incorporating such effect into the equivalent modal radiation impedance, which is directly related to the modal sound transmission coefficient of each mode, the overall sound transmission loss for both normal and randomized sound incidences was computed through a simple modal superposition. Benefiting from the analytical expressions of the equivalent modal impedance and modal transmission coefficients, in this paper, behaviors of modal sound transmission coefficients in several typical frequency ranges are discussed in detail. Asymptotic solutions are also given for the panels with relatively low bending stiffnesses, for which the sound transmission loss has been assumed to follow the mass law of a limp panel. Results are also compared to numerical analysis and the renowned mass law theories.

Vacillations induced by interference of stationary and traveling planetary waves

NASA Technical Reports Server (NTRS)

Salby, Murry L.; Garcia, Rolando R.

1987-01-01

The interference pattern produced when a traveling planetary wave propagates over a stationary forced wave is explored, examining the interference signature in a variety of diagnostics. The wave field is first restricted to a diatomic spectrum consisting of two components: a single stationary wave and a single monochromatic traveling wave. A simple barotropic normal mode propagating over a simple stationary plane wave is considered, and closed form solutions are obtained. The wave fields are then restricted spatially, providing more realistic structures without sacrificing the advantages of an analytical solution. Both stationary and traveling wave fields are calculated numerically with the linearized Primitive Equations in a realistic basic state. The mean flow reaction to the fluctuating eddy forcing which results from interference is derived. Synoptic geopotential behavior corresponding to the combined wave and mean flow fields is presented, and the synoptic signature in potential vorticity on isentropic surfaces is examined.

Transit of pharmaceutical dosage forms through the small intestine.

PubMed Central

Davis, S S; Hardy, J G; Fara, J W

1986-01-01

The gastrointestinal transit of pharmaceutical dosage forms has been measured in 201 studies in normal subjects using gamma scintigraphy. Solutions, small pellets, and single units (matrix tablets and osmotic pumps) were administered with different amounts of food in the stomach, ranging from fasted state to heavy breakfast. Gastric emptying was affected by the nature of the dosage form and the presence of food in the stomach. Solutions and pellets were emptied even when the stomach was in the digestive mode, while single units were retained for long periods of time, depending on the size of the meal. In contrast, measured intestinal transit times were independent of the dosage form and fed state. The small intestinal transit time of about three hours (mean +/- 1 h SEM) has implications for the design of dosage forms for the sustained release of drugs in specific positions in the gastrointestinal tract. PMID:3732895

A normal mode treatment of semi-diurnal body tides on an aspherical, rotating and anelastic Earth

NASA Astrophysics Data System (ADS)

Lau, Harriet C. P.; Yang, Hsin-Ying; Tromp, Jeroen; Mitrovica, Jerry X.; Latychev, Konstantin; Al-Attar, David

2015-08-01

Normal mode treatments of the Earth's body tide response were developed in the 1980s to account for the effects of Earth rotation, ellipticity, anelasticity and resonant excitation within the diurnal band. Recent space-geodetic measurements of the Earth's crustal displacement in response to luni-solar tidal forcings have revealed geographical variations that are indicative of aspherical deep mantle structure, thus providing a novel data set for constraining deep mantle elastic and density structure. In light of this, we make use of advances in seismic free oscillation literature to develop a new, generalized normal mode theory for the tidal response within the semi-diurnal and long-period tidal band. Our theory involves a perturbation method that permits an efficient calculation of the impact of aspherical structure on the tidal response. In addition, we introduce a normal mode treatment of anelasticity that is distinct from both earlier work in body tides and the approach adopted in free oscillation seismology. We present several simple numerical applications of the new theory. First, we compute the tidal response of a spherically symmetric, non-rotating, elastic and isotropic Earth model and demonstrate that our predictions match those based on standard Love number theory. Second, we compute perturbations to this response associated with mantle anelasticity and demonstrate that the usual set of seismic modes adopted for this purpose must be augmented by a family of relaxation modes to accurately capture the full effect of anelasticity on the body tide response. Finally, we explore aspherical effects including rotation and we benchmark results from several illustrative case studies of aspherical Earth structure against independent finite-volume numerical calculations of the semi-diurnal body tide response. These tests confirm the accuracy of the normal mode methodology to at least the level of numerical error in the finite-volume predictions. They also demonstrate that full coupling of normal modes, rather than group coupling, is necessary for accurate predictions of the body tide response.

PROP3D: A Program for 3D Euler Unsteady Aerodynamic and Aeroelastic (Flutter and Forced Response) Analysis of Propellers. Version 1.0

NASA Technical Reports Server (NTRS)

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

1996-01-01

This guide describes the input data required, for steady or unsteady aerodynamic and aeroelastic analysis of propellers and the output files generated, in using PROP3D. The aerodynamic forces are obtained by solving three dimensional unsteady, compressible Euler equations. A normal mode structural analysis is used to obtain the aeroelastic equations, which are solved using either time domain or frequency domain solution method. Sample input and output files are included in this guide for steady aerodynamic analysis of single and counter-rotation propellers, and aeroelastic analysis of single-rotation propeller.

Determination of the functioning parameters in asymmetrical flow field-flow fractionation with an exponential channel.

PubMed

Déjardin, P

2013-08-30

The flow conditions in normal mode asymmetric flow field-flow fractionation are determined to approach the high retention limit with the requirement d≪l≪w, where d is the particle diameter, l the characteristic length of the sample exponential distribution and w the channel height. The optimal entrance velocity is determined from the solute characteristics, the channel geometry (exponential to rectangular) and the membrane properties, according to a model providing the velocity fields all over the cell length. In addition, a method is proposed for in situ determination of the channel height. Copyright © 2013 Elsevier B.V. All rights reserved.

Weakly collisional Landau damping and three-dimensional Bernstein-Greene-Kruskal modes: New results on old problems

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

Ng, C.; Bhattacharjee, A.; Skiff, F.

2006-05-15

Landau damping and Bernstein-Greene-Kruskal (BGK) modes are among the most fundamental concepts in plasma physics. While the former describes the surprising damping of linear plasma waves in a collisionless plasma, the latter describes exact undamped nonlinear solutions of the Vlasov equation. There does exist a relationship between the two: Landau damping can be described as the phase mixing of undamped eigenmodes, the so-called Case-Van Kampen modes, which can be viewed as BGK modes in the linear limit. While these concepts have been around for a long time, unexpected new results are still being discovered. For Landau damping, we show thatmore » the textbook picture of phase mixing is altered profoundly in the presence of collision. In particular, the continuous spectrum of Case-Van Kampen modes is eliminated and replaced by a discrete spectrum, even in the limit of zero collision. Furthermore, we show that these discrete eigenmodes form a complete set of solutions. Landau-damped solutions are then recovered as true eigenmodes (which they are not in the collisionless theory). For BGK modes, our interest is motivated by recent discoveries of electrostatic solitary waves in magnetospheric plasmas. While one-dimensional BGK theory is quite mature, there appear to be no exact three-dimensional solutions in the literature (except for the limiting case when the magnetic field is sufficiently strong so that one can apply the guiding-center approximation). We show, in fact, that two- and three-dimensional solutions that depend only on energy do not exist. However, if solutions depend on both energy and angular momentum, we can construct exact three-dimensional solutions for the unmagnetized case, and two-dimensional solutions for the case with a finite magnetic field. The latter are shown to be exact, fully electromagnetic solutions of the steady-state Vlasov-Poisson-Ampere system.« less

On stress field near a stationary crack tip

NASA Technical Reports Server (NTRS)

Nemat-Nasser, S.; Obata, M.

1984-01-01

It is well known that the stress and elastic-plastic deformation fields near a crack tip have important roles in the corresponding fracture process. For elastic-perfectly-plastic solids, different solutions are given in the literature. In this work several of these solutions are examined and compared for Mode I (tension), Mode II (shear), and mixed Modes I and II loading conditions in plane strain. By consideration of the dynamic solution, it is shown that the assumption that the material is yielding all around a crack tip may not be reasonable in all cases. By admitting the existence of some elastic sectors, continuous stress fields are obtained even for mixed Modes I and II.

The Analysis of Metal Finishing Solutions by Ion Chromatography

DTIC Science & Technology

1987-08-01

Chromatographic Instrumentation ...... 33 2.3 Modes of Separation .................. 35 2.4 Modes of Detection ................... 44 2.5 Method Development...Chromium Plating Solutions a and R with Added HCl ..................... 151 Table 35 . Chromium Plating Solutions a and R with Added NaOH...Dm (20) HETPld= Zd Dm / U (21) HETPsm= Zsm dp dp U / Dm (22) HETPsp= Zs dp dp U / Ds (23) where: dp- Particle diameter. Dm= Solute mobile phase

Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis.

PubMed

Tao, Yunwen; Tian, Chuan; Verma, Niraj; Zou, Wenli; Wang, Chao; Cremer, Dieter; Kraka, Elfi

2018-05-08

Normal vibrational modes are generally delocalized over the molecular system, which makes it difficult to assign certain vibrations to specific fragments or functional groups. We introduce a new approach, the Generalized Subsystem Vibrational Analysis (GSVA), to extract the intrinsic fragmental vibrations of any fragment/subsystem from the whole system via the evaluation of the corresponding effective Hessian matrix. The retention of the curvature information with regard to the potential energy surface for the effective Hessian matrix endows our approach with a concrete physical basis and enables the normal vibrational modes of different molecular systems to be legitimately comparable. Furthermore, the intrinsic fragmental vibrations act as a new link between the Konkoli-Cremer local vibrational modes and the normal vibrational modes.

Normal Mode Analysis on the Relaxation of AN Excited Nitromethane Molecule in Argon Bath

NASA Astrophysics Data System (ADS)

Rivera-Rivera, Luis A.; Wagner, Albert F.

2017-06-01

In our previous work [Rivera-Rivera et al. J. Chem. Phys. 142, 014303 (2015).] classical molecular dynamics simulations followed, in an Ar bath, the relaxation of nitromethane (CH_3NO_2) instantaneously excited by statistically distributing 50 kcal/mol among all its internal degrees of freedom. The 300 K Ar bath was at pressures of 10 to 400 atm. Both rotational and vibrational energies exhibited multi-exponential decay. This study explores mode-specific mechanisms at work in the decay process. With the separation of rotation and vibration developed by Rhee and Kim [J. Chem. Phys. 107, 1394 (1997).], one can show that the vibrational kinetic energy decomposes only into vibrational normal modes while the rotational and Coriolis energies decompose into both vibrational and rotational normal modes. Then the saved CH_3NO_2 positions and momenta can be converted into mode-specific energies whose decay over 1000 ps can be monitored. The results identify vibrational and rotational modes that promote/resist energy lost and drive multi-exponential behavior. In addition to mode-specificity, the results show disruption of IVR with increasing pressure.

Separation of crack extension modes in orthotropic delamination models

NASA Technical Reports Server (NTRS)

Beuth, Jack L.

1995-01-01

In the analysis of an interface crack between dissimilar elastic materials, the mode of crack extension is typically not unique, due to oscillatory behavior of near-tip stresses and displacements. This behavior currently limits the applicability of interfacial fracture mechanics as a means to predict composite delamination. The Virtual Crack Closure Technique (VCCT) is a method used to extract mode 1 and mode 2 energy release rates from numerical fracture solutions. The mode of crack extension extracted from an oscillatory solution using the VCCT is not unique due to the dependence of mode on the virtual crack extension length, Delta. In this work, a method is presented for using the VCCT to extract Delta-independent crack extension modes for the case of an interface crack between two in-plane orthotropic materials. The method does not involve altering the analysis to eliminate its oscillatory behavior. Instead, it is argued that physically reasonable, Delta-independent modes of crack extension can be extracted from oscillatory solutions. Knowledge of near-tip fields is used to determine the explicit Delta dependence of energy release rate parameters. Energy release rates are then defined that are separated from the oscillatory dependence on Delta. A modified VCCT using these energy release rate definitions is applied to results from finite element analyses, showing that Delta-independent modes of crack extension result. The modified technique has potential as a consistent method for extracting crack extension modes from numerical solutions. The Delta-independent modes extracted using this technique can also serve as guides for testing the convergence of finite element models. Direct applications of this work include the analysis of planar composite delamination problems, where plies or debonded laminates are modeled as in-plane orthotropic materials.

Atomic force microscopy contact, tapping, and jumping modes for imaging biological samples in liquids

NASA Astrophysics Data System (ADS)

Moreno-Herrero, F.; Colchero, J.; Gómez-Herrero, J.; Baró, A. M.

2004-03-01

The capabilities of the atomic force microscope for imaging biomolecules under physiological conditions has been systematically investigated. Contact, dynamic, and jumping modes have been applied to four different biological systems: DNA, purple membrane, Alzheimer paired helical filaments, and the bacteriophage φ29. These samples have been selected to cover a wide variety of biological systems in terms of sizes and substrate contact area, which make them very appropriate for the type of comparative studies carried out in the present work. Although dynamic mode atomic force microscopy is clearly the best choice for imaging soft samples in air, in liquids there is not a leading technique. In liquids, the most appropriate imaging mode depends on the sample characteristics and preparation methods. Contact or dynamic modes are the best choices for imaging molecular assemblies arranged as crystals such as the purple membrane. In this case, the advantage of image acquisition speed predominates over the disadvantage of high lateral or normal force. For imaging individual macromolecules, which are weakly bonded to the substrate, lateral and normal forces are the relevant factors, and hence the jumping mode, an imaging mode which minimizes lateral and normal forces, is preferable to other imaging modes.

Isotope effect in normal-to-local transition of acetylene bending modes

DOE PAGES

Ma, Jianyi; Xu, Dingguo; Guo, Hua; ...

2012-01-01

The normal-to-local transition for the bending modes of acetylene is considered a prelude to its isomerization to vinylidene. Here, such a transition in fully deuterated acetylene is investigated using a full-dimensional quantum model. It is found that the local benders emerge at much lower energies and bending quantum numbers than in the hydrogen isotopomer HCCH. This is accompanied by a transition to a second kind of bending mode called counter-rotator, again at lower energies and quantum numbers than in HCCH. These transitions are also investigated using bifurcation analysis of two empirical spectroscopic fitting Hamiltonians for pure bending modes, which helpsmore » to understand the origin of the transitions semiclassically as branchings or bifurcations out of the trans and normal bend modes when the latter become dynamically unstable. The results of the quantum model and the empirical bifurcation analysis are in very good agreement.« less

ΔΔPT: a comprehensive toolbox for the analysis of protein motion

PubMed Central

2013-01-01

Background Normal Mode Analysis is one of the most successful techniques for studying motions in proteins and macromolecules. It can provide information on the mechanism of protein functions, used to aid crystallography and NMR data reconstruction, and calculate protein free energies. Results ΔΔPT is a toolbox allowing calculation of elastic network models and principle component analysis. It allows the analysis of pdb files or trajectories taken from; Gromacs, Amber, and DL_POLY. As well as calculation of the normal modes it also allows comparison of the modes with experimental protein motion, variation of modes with mutation or ligand binding, and calculation of molecular dynamic entropies. Conclusions This toolbox makes the respective tools available to a wide community of potential NMA users, and allows them unrivalled ability to analyse normal modes using a variety of techniques and current software. PMID:23758746

Comparison of the removal of hydrophobic trace organic contaminants by forward osmosis and reverse osmosis.

PubMed

Xie, Ming; Nghiem, Long D; Price, William E; Elimelech, Menachem

2012-05-15

We compared the rejection behaviours of three hydrophobic trace organic contaminants, bisphenol A, triclosan and diclofenac, in forward osmosis (FO) and reverse osmosis (RO). Using erythritol, xylose and glucose as inert reference organic solutes and the membrane pore transport model, the mean effective pore size of a commercial cellulose-based FO membrane was estimated to be 0.74 nm. When NaCl was used as the draw solute, at the same water permeate flux of 5.4 L/m(2) h (or 1.5 μm/s), the adsorption of all three compounds to the membrane in the FO mode was consistently lower than that in the RO mode. Rejection of bisphenol A and diclofenac were higher in the FO mode compared to that in the RO mode. Because the molecular width of triclosan was larger than the estimated mean effective membrane pore size, triclosan was completely rejected by the membrane and negligent difference between the FO and RO modes could be observed. The difference in the separation behaviour of these hydrophobic trace organics in the FO (using NaCl the draw solute) and RO modes could be explained by the phenomenon of retarded forward diffusion of solutes. The reverse salt flux of NaCl hinders the pore diffusion and subsequent adsorption of the trace organic compounds within the membrane. The retarded forward diffusion effect was not observed when MgSO(4) and glucose were used as the draw solutes. The reverse flux of both MgSO(4) and glucose was negligible and thus both adsorption and rejection of BPA in the FO mode were identical to those in the RO mode. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

Experimental investigation of internal tides generated by finite-height topography

NASA Astrophysics Data System (ADS)

Wang, Shuya; Chen, Xu; Wang, Jinhu; Meng, Jing

2018-06-01

Internal tides generated by finite-height topography are investigated in the laboratory, and the particle image velocimetry (PIV) technique is applied to measure the velocity fields. The energy, energy flux, and vertical mode structure of the internal tides are calculated and analyzed. The experimental results indicate that the strength of the wave field is mainly affected by the normalized topography height. The rays radiated from the taller topography are wider than those radiated from the lower topography. Both the experimental and theoretical results indicate that the normalized energy and energy flux of the internal tides are mainly determined by the normalized topography height, and the increase of the two quantities follows a quadratic function, and they almost remain unchanged with different normalized frequencies except for higher frequency. The percentage of energy for mode-1 and mode-2 internal tides is determined not only by frequency but also by topography height. In addition, an "inherent normalized frequency" is observed in the experiment, at which the percentage of energy for mode 1 and mode 2 does not vary with topography height. The decay rate of internal tide energy in the near field and far field is also estimated, with average values of 36.5 and 7.5%, respectively.

Solution and diffusion of hydrogen isotopes in tungsten-rhenium alloy

NASA Astrophysics Data System (ADS)

Ren, Fei; Yin, Wen; Yu, Quanzhi; Jia, Xuejun; Zhao, Zongfang; Wang, Baotian

2017-08-01

Rhenium is one of the main transmutation elements forming in tungsten under neutron irradiation. Therefore, it is essential to understand the influence of rhenium impurity on hydrogen isotopes retention in tungsten. First-principle calculations were used to study the properties of hydrogen solution and diffusion in perfect tungsten-rhenium lattice. The interstitial hydrogen still prefers the tetrahedral site in presence of rhenium, and rhenium atom cannot act directly as a trapping site of hydrogen. The presence of rhenium in tungsten raises the solution energy and the real normal modes of vibration on the ground state and the transition state, compared to hydrogen in pure tungsten. Without zero point energy corrections, the presence of rhenium decreases slightly the migration barrier. It is found that although the solution energy would tend to increase slightly with the rising of the concentration of rhenium, but which does not influence noticeably the solution energy of hydrogen in tungsten-rhenium alloy. The solubility and diffusion coefficient of hydrogen in perfect tungsten and tungsten-rhenium alloy have been estimated, according to Sievert's law and harmonic transition state theory. The results show the solubility of hydrogen in tungsten agrees well the experimental data, and the presence of Re would decrease the solubility and increase the diffusivity for the perfect crystals.

Vector-beam solutions of Maxwell's wave equation.

PubMed

Hall, D G

1996-01-01

The Hermite-Gauss and Laguerre-Gauss modes are well-known beam solutions of the scalar Helmholtz equation in the paraxial limit. As such, they describe linearly polarized fields or single Cartesian components of vector fields. The vector wave equation admits, in the paraxial limit, of a family of localized Bessel-Gauss beam solutions that can describe the entire transverse electric field. Two recently reported solutions are members of this family of vector Bessel-Gauss beam modes.

Theory of psychological adaptive modes.

PubMed

Lehti, Juha

2016-05-01

When an individual is facing a stressor and normal stress-response mechanism cannot guarantee sufficient adaptation, special emotional states, adaptive modes, are activated (for example a depressive reaction). Adaptive modes are involuntary states of mind, they are of comprehensive nature, they interfere with normal functioning, and they cannot be repressed or controlled the same way as many emotions. Their transformational nature differentiates them from other emotional states. The object of the adaptive mode is to optimize the problem-solving abilities according to the situation that has provoked the mode. Cognitions and emotions during the adaptive mode are different than in a normal mental state. These altered cognitions and emotional reactions guide the individual to use the correct coping skills in order to deal with the stressor. Successful adaptation will cause the adaptive mode to fade off since the adaptive mode is no longer necessary, and the process as a whole will lead to raised well-being. However, if the adaptation process is inadequate, then the transformation period is prolonged, and the adaptive mode will turn into a dysfunctional state. Many psychiatric disorders are such maladaptive processes. The maladaptive processes can be turned into functional ones by using adaptive skills that are used in functional adaptive processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Vibrational spectra from atomic fluctuations in dynamics simulations. II. Solvent-induced frequency fluctuations at femtosecond time resolution

NASA Astrophysics Data System (ADS)

Schmitz, Matthias; Tavan, Paul

2004-12-01

The midinfrared (MIR) spectra of molecules in polar solvents exhibit inhomogeneously broadened bands whose spectral positions are shifted as compared to the gas phase. The shifts are caused by interactions with structured solvation shells and the broadenings by fluctuations of these interactions. The MIR spectra can be calculated from hybrid molecular dynamics (MD) simulations, which treat the solute molecule by density functional theory and the solvent by molecular mechanics by the so-called instantaneous normal mode analysis (INMA) or by Fourier transforming the time correlation function (FTTCF) of the molecular dipole moment. In Paper I of this work [M. Schmitz and P. Tavan, J. Chem. Phys. 121, 12233 (2004)] we explored an alternative method based on generalized virial (GV) frequencies noting, however, that GV systematically underestimates frequencies. As shown by us these artifacts are caused by solvent-induced fluctuations of the (i) equilibrium geometry, (ii) force constants, and (iii) normal mode directions as well as by (iv) diagonal and (v) off-diagonal anharmonicities. Here we now show, by analyzing the time scales of fluctuations and sample MD trajectories of formaldehyde in the gas phase and in water, that all these sources of computational artifacts can be made visible by a Fourier analysis of the normal coordinates. Correspondingly, the error sources (i) and (iii)-(v) can be removed by bandpass filtering, as long as the spectral signatures of the respective effects are well separated from the fundamental band. Furthermore, the artifacts arising from effect (ii) can be strongly diminished by a time-resolved version of the GV approach (TF-GV). The TF-GV method then yields for each mode j a trajectory of the vibrational frequency ωj(t|τ) at a time resolution τ>τj, which is only limited by the corresponding oscillation time τj=2π/ωj and, thus, is in the femtosecond range. A correlation analysis of these trajectories clearly separates the librational motions from the conformational dynamics of the solvation shells and yields the inhomogeneously broadened MIR spectra, if the theory of motional narrowing is properly included. The MIR spectrum of formaldehyde in solution obtained by TF-GV agrees very well with the FTTCF result, if one applies the so-called "harmonic approximation" quantum correction factor and a temperature scaling to the FTTCF intensities. Also for INMA an excellent agreement is achieved if one disregards a slight INMA overestimate of linewidths.

Derivation of equations of motion for multi-blade rotors employing coupled modes and including high twist capability

NASA Technical Reports Server (NTRS)

Sopher, R.

1975-01-01

The equations of motion are derived for a multiblade rotor. A high twist capability and coupled flatwise-edgewise assumed normal modes are employed instead of uncoupled flatwise - edgewise assumed normal models. The torsion mode is uncoupled. Support system models, consisting of complete helicopters in free flight, or grounded flexible supports, arbitrary rotor-induced inflow, and arbitrary vertical gust models are also used.

Plasma Modes

NASA Astrophysics Data System (ADS)

Dubin, D. H. E.

This chapter explores several aspects of the linear electrostatic normal modes of oscillation for a single-species non-neutral plasma in a Penning trap. Linearized fluid equations of motion are developed, assuming the plasma is cold but collisionless, which allow derivation of the cold plasma dielectric tensor and the electrostatic wave equation. Upper hybrid and magnetized plasma waves in an infinite uniform plasma are described. The effect of the plasma surface in a bounded plasma system is considered, and the properties of surface plasma waves are characterized. The normal modes of a cylindrical plasma column are discussed, and finally, modes of spheroidal plasmas, and finite temperature effects on the modes, are briefly described.

Effect of a Material Contrast on a Dynamic Rupture: 3-D

NASA Astrophysics Data System (ADS)

Harris, R. A.; Day, S. M.

2003-12-01

We use numerical simulations of spontaneously propagating ruptures to examine the effect of a material contrast on earthquake dynamics. We specifically study the case of a lateral contrast whereby the fault is the boundary between two different rock-types. This scenario was previously studied in two-dimensions by Harris and Day [BSSA, 1997], and Andrews and Ben-Zion [JGR, 1997], in addition to subsequent 2-D studies, but it has not been known if the two-dimensional results are applicable to the real three-dimensional world. The addition of the third dimension implies a transition from pure mode II (i.e., plane-strain) to mixed-mode crack dynamics, which is more complicated since in mode II the shear and normal stresses are coupled whereas in mode III (i.e., anti-plane strain) they are not coupled. We use a slip-weakening fracture criterion and examine the effect on an earthquake rupture of material contrasts of up to 50 percent across the fault zone. We find a surprisingly good agreement between our earlier 2-D results, and our 3-D results for along-strike propagation. We find that the analytical solution presented in Harris and Day [BSSA, 1997] does an excellent job at predicting the bilateral, along-strike rupture velocities for the three-dimensional situation. In contrast, the along-dip propagation behaves much as expected for a purely mode-III rupture, with the rupture velocities up-dip and down-dip showing the expected symmetries.

Mapping Lipid Alterations in Traumatically Injured Rat Spinal Cord by Desorption Electrospray Ionization Imaging Mass Spectrometry

PubMed Central

Girod, Marion; Shi, Yunzhou; Cheng, Ji-Xin; Cooks, R. Graham

2010-01-01

Desorption electrospray ionization (DESI) mass spectrometry is used in an imaging mode to interrogate the lipid profiles of 15 µm thin tissues cross sections of injured rat spinal cord and normal healthy tissue. Increased relative intensities of fatty acids, diacylglycerols and lysolipids (between +120% and +240%) as well as a small decrease in intensities of lipids (−30%) were visualized in the lesion epi-center and adjacent areas after spinal cord injury. This indicates the hydrolysis of lipids during the demyelination process due to activation of phospholipase A2 enzyme. In addition, signals corresponding to oxidative degradation products, such as prostaglandin and hydroxyeicosatetraenoic acid, exhibited increased signal intensity by a factor of two in the negative ion mode in lesions relative to the normal healthy tissue. Analysis of malondialdehyde, a product of lipid peroxidation and marker of oxidative stress, was accomplished in the ambient environment using reactive DESI mass spectrometry imaging. This was achieved by electrospraying reagent solution containing dinitrophenylhydrazine as high velocity charged droplets onto the tissue section. The hydrazine reacts selectively and rapidly with the carbonyl groups of malondialdehyde and signal intensity of twice the intensity was detected in the lesions compared to healthy spinal cord. With a small amount of tissue sample, DESI-MS imaging provides information on the composition and distribution of specific compounds (limited by the occurrence of isomeric lipids with very similar fragmentation patterns) in lesions after spinal cord injury in comparison with normal healthy tissue allowing identification of the extent of the lesion and its repair. PMID:21142140

Correlation of finite element free vibration predictions using random vibration test data. M.S. Thesis - Cleveland State Univ.

NASA Technical Reports Server (NTRS)

Chambers, Jeffrey A.

1994-01-01

Finite element analysis is regularly used during the engineering cycle of mechanical systems to predict the response to static, thermal, and dynamic loads. The finite element model (FEM) used to represent the system is often correlated with physical test results to determine the validity of analytical results provided. Results from dynamic testing provide one means for performing this correlation. One of the most common methods of measuring accuracy is by classical modal testing, whereby vibratory mode shapes are compared to mode shapes provided by finite element analysis. The degree of correlation between the test and analytical mode shapes can be shown mathematically using the cross orthogonality check. A great deal of time and effort can be exhausted in generating the set of test acquired mode shapes needed for the cross orthogonality check. In most situations response data from vibration tests are digitally processed to generate the mode shapes from a combination of modal parameters, forcing functions, and recorded response data. An alternate method is proposed in which the same correlation of analytical and test acquired mode shapes can be achieved without conducting the modal survey. Instead a procedure is detailed in which a minimum of test information, specifically the acceleration response data from a random vibration test, is used to generate a set of equivalent local accelerations to be applied to the reduced analytical model at discrete points corresponding to the test measurement locations. The static solution of the analytical model then produces a set of deformations that once normalized can be used to represent the test acquired mode shapes in the cross orthogonality relation. The method proposed has been shown to provide accurate results for both a simple analytical model as well as a complex space flight structure.

On the mode-coupling treatment of collective density fluctuations for quantum liquids: para-hydrogen and normal liquid helium.

PubMed

Kletenik-Edelman, Orly; Reichman, David R; Rabani, Eran

2011-01-28

A novel quantum mode coupling theory combined with a kinetic approach is developed for the description of collective density fluctuations in quantum liquids characterized by Boltzmann statistics. Three mode-coupling approximations are presented and applied to study the dynamic response of para-hydrogen near the triple point and normal liquid helium above the λ-transition. The theory is compared with experimental results and to the exact imaginary time data generated by path integral Monte Carlo simulations. While for liquid para-hydrogen the combination of kinetic and quantum mode-coupling theory provides semi-quantitative results for both short and long time dynamics, it fails for normal liquid helium. A discussion of this failure based on the ideal gas limit is presented.

A prospective randomized trial of two solutions for intrapartum amnioinfusion: effects on fetal electrolytes, osmolality, and acid-base status.

PubMed

Pressman, E K; Blakemore, K J

1996-10-01

Our purpose was to compare the effects of intrapartum amnioinfusion with normal saline solution versus lactated Ringer's solution plus physiologic glucose on neonatal electrolytes and acid-base balance. Patients undergoing amnioinfusion for obstetric indications were randomized to receive normal saline solution or lactated Ringer's solution plus physiologic glucose at standardized amnioinfusion rates. Data were collected prospectively on maternal demographics, course of labor, and maternal and neonatal outcome. Arterial cord blood was obtained for analysis of electrolytes, glucose, osmolality, lactic acid, and blood gases. Control subjects with normal fetal heart rate patterns, and clear amniotic fluid not receiving amnioinfusion were studied concurrently. Data were collected on 59 patients (21 normal saline solution, 18 lactated Ringer's solution plus physiologic glucose, and 20 controls). Maternal demographics, course of labor, and neonatal outcome were similar in all three groups. Cesarean sections were performed more often in the amnioinfusion groups (33.3% for normal saline solution, 38.9% for lactated Ringer's solution plus physiologic glucose) than in the control group (5.0%), p < 0.05. Cord arterial electrolytes, glucose, osmolality, lactic acid, and blood gases were not altered by amnioinfusion with either solution. Intrapartum amnioinfusion with normal saline solution or lactated Ringer's solution plus physiologic glucose has no effect on neonatal electrolytes or acid-base balance.

Sad and happy emotion discrimination in music by children with cochlear implants.

PubMed

Hopyan, Talar; Manno, Francis A M; Papsin, Blake C; Gordon, Karen A

2016-01-01

Children using cochlear implants (CIs) develop speech perception but have difficulty perceiving complex acoustic signals. Mode and tempo are the two components used to recognize emotion in music. Based on CI limitations, we hypothesized children using CIs would have impaired perception of mode cues relative to their normal hearing peers and would rely more heavily on tempo cues to distinguish happy from sad music. Study participants were children with 13 right CIs and 3 left CIs (M = 12.7, SD = 2.6 years) and 16 normal hearing peers. Participants judged 96 brief piano excerpts from the classical genre as happy or sad in a forced-choice task. Music was randomly presented with alterations of transposed mode, tempo, or both. When music was presented in original form, children using CIs discriminated between happy and sad music with accuracy well above chance levels (87.5%) but significantly below those with normal hearing (98%). The CI group primarily used tempo cues, whereas normal hearing children relied more on mode cues. Transposing both mode and tempo cues in the same musical excerpt obliterated cues to emotion for both groups. Children using CIs showed significantly slower response times across all conditions. Children using CIs use tempo cues to discriminate happy versus sad music reflecting a very different hearing strategy than their normal hearing peers. Slower reaction times by children using CIs indicate that they found the task more difficult and support the possibility that they require different strategies to process emotion in music than normal.

Development and comparison of advanced reduced-basis methods for the transient structural analysis of unconstrained structures

NASA Technical Reports Server (NTRS)

Mcgowan, David M.; Bostic, Susan W.; Camarda, Charles J.

1993-01-01

The development of two advanced reduced-basis methods, the force derivative method and the Lanczos method, and two widely used modal methods, the mode displacement method and the mode acceleration method, for transient structural analysis of unconstrained structures is presented. Two example structural problems are studied: an undamped, unconstrained beam subject to a uniformly distributed load which varies as a sinusoidal function of time and an undamped high-speed civil transport aircraft subject to a normal wing tip load which varies as a sinusoidal function of time. These example problems are used to verify the methods and to compare the relative effectiveness of each of the four reduced-basis methods for performing transient structural analyses on unconstrained structures. The methods are verified with a solution obtained by integrating directly the full system of equations of motion, and they are compared using the number of basis vectors required to obtain a desired level of accuracy and the associated computational times as comparison criteria.

Influence of initial stress on the vibration of double-piezoelectric-nanoplate systems with various boundary conditions using DQM

NASA Astrophysics Data System (ADS)

Asemi, S. R.; Farajpour, A.; Asemi, H. R.; Mohammadi, M.

2014-09-01

In this paper, a nonlocal continuum plate model is developed for the transverse vibration of double-piezoelectric-nanoplate systems (DPNPSs) with initial stress under an external electric voltage. The Pasternak foundation model is employed to take into account the effect of shearing between the two piezoelectric nanoplates in combination with normal behavior of coupling elastic medium. Size effects are taken into consideration using nonlocal continuum mechanics. Hamilton's principle is used to derive the differential equations of motion. The governing equations are solved for various boundary conditions by using the differential quadrature method (DQM). In addition, exact solutions are presented for the natural frequencies and critical electric voltages of DPNPS under biaxial prestressed conditions in in-phase and out-of-phase vibrational modes. It is shown that the natural frequencies of the DPNPS are quite sensitive to both nonlocal parameter and initial stress. The effects of in-plane preload and small scale are very important in the resonance mode of smart nanostructures using piezoelectric nanoplates.

Bernstein-Greene-Kruskal Modes in a Three-Dimensional Plasma

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

Ng, C.S.; Bhattacharjee, A.

2005-12-09

Bernstein-Greene-Kruskal modes in a three-dimensional (3D) unmagnetized plasma are constructed. It is shown that 3D solutions that depend only on energy do not exist. However, 3D solutions that depend on energy and additional constants of motion (such as angular momentum) do exist. Exact analytical as well as numerical solutions are constructed assuming spherical symmetry, and their properties are contrasted with those of 1D solutions. Possible extensions to solutions with cylindrical symmetry with or without a finite magnetic guide field are discussed.

Radiation of sound from unflanged cylindrical ducts

NASA Technical Reports Server (NTRS)

Hartharan, S. L.; Bayliss, A.

1983-01-01

Calculations of sound radiated from unflanged cylindrical ducts are presented. The numerical simulation models the problem of an aero-engine inlet. The time dependent linearized Euler equations are solved from a state of rest until a harmonic solution is attained. A fourth order accurate finite difference scheme is used and solutions are obtained from a fully vectorized Cyber-203 computer program. Cases of both plane waves and spin modes are treated. Spin modes model the sound generated by a turbofan engine. Boundary conditions for both plane waves and spin modes are treated. Solutions obtained are compared with experiments conducted at NASA Langley Research Center.

Effects of 3D Earth structure on W-phase CMT parameters

NASA Astrophysics Data System (ADS)

Morales, Catalina; Duputel, Zacharie; Rivera, Luis; Kanamori, Hiroo

2017-04-01

The source inversion of the W-phase has demonstrated a great potential to provide fast and reliable estimates of the centroid moment tensor (CMT) for moderate to large earthquakes. It has since been implemented in different operational environments (NEIC-USGS, PTWC, etc.) with the aim of providing rapid CMT solutions. These solutions are in particular useful for tsunami warning purposes. Computationally, W-phase waveforms are usually synthetized by summation of normal modes at long period (100 - 1000 s) for a spherical Earth model (e.g., PREM). Although the energy of these modes mainly stays in the mantle where lateral structural variations are relatively small, the impact of 3D heterogeneities on W-phase solutions have not yet been quantified. In this study, we investigate possible bias in W-phase source parameters due to unmodeled lateral structural heterogeneities. We generate a simulated dataset consisting of synthetic seismograms of large past earthquakes that accounts for the Earth's 3D structure. The W-phase algorithm is then used to invert the synthetic dataset for earthquake CMT parameters with and without added noise. Results show that the impact of 3D heterogeneities is generally larger for surface-waves than for W-phase waveforms. However, some discrepancies are noted between inverted W-phase parameters and target values. Particular attention is paid to the possible bias induced by the unmodeled 3D structure into the location of the W-phase centroid. Preliminary results indicate that the parameter that is most susceptible to 3D Earth structure seems to be the centroid depth.

Spectral statistics of the acoustic stadium

NASA Astrophysics Data System (ADS)

Méndez-Sánchez, R. A.; Báez, G.; Leyvraz, F.; Seligman, T. H.

2014-01-01

We calculate the normal-mode frequencies and wave amplitudes of the two-dimensional acoustical stadium. We also obtain the statistical properties of the acoustical spectrum and show that they agree with the results given by random matrix theory. Some normal-mode wave amplitudes showing scarring are presented.

75 FR 62476 - Ultra-Wideband Transmission Systems

Federal Register 2010, 2011, 2012, 2013, 2014

2010-10-12

... would be obtained from measurements taken with the system operating in its normal operating mode. At the... with the transmitter operating continuously at a fundamental transmission frequency. 9. Subsequent to... systems, measured in their normal operating modes, is less than that of a UWB transmitter employing...

Even and odd normalized zero modes in random interacting Majorana models respecting the parity P and the time-reversal-symmetry T

NASA Astrophysics Data System (ADS)

Monthus, Cécile

2018-06-01

For random interacting Majorana models where the only symmetries are the parity P and the time-reversal-symmetry T, various approaches are compared to construct exact even and odd normalized zero modes Γ in finite size, i.e. Hermitian operators that commute with the Hamiltonian, that square to the identity, and that commute (even) or anticommute (odd) with the parity P. Even normalized zero-modes are well known under the name of ‘pseudo-spins’ in the field of many-body-localization or more precisely ‘local integrals of motion’ (LIOMs) in the many-body-localized-phase where the pseudo-spins happens to be spatially localized. Odd normalized zero-modes are popular under the name of ‘Majorana zero modes’ or ‘strong zero modes’. Explicit examples for small systems are described in detail. Applications to real-space renormalization procedures based on blocks containing an odd number of Majorana fermions are also discussed.

Sheath liquid interface for the coupling of normal-phase liquid chromatography with electrospray mass spectrometry and its application to the analysis of neoflavonoids.

PubMed

Charles, Laurence; Laure, Frédéric; Raharivelomanana, Phila; Bianchini, Jean-Pierre

2005-01-01

A novel interface that allows normal-phase liquid chromatography to be coupled with electrospray ionization (ESI) is reported. A make-up solution of 60 mM ammonium acetate in methanol, infused at a 5 microl min(-1) flow-rate at the tip of the electrospray probe, provides a sheath liquid which is poorly miscible with the chromatographic effluent, but promotes efficient ionization of the targeted analytes. Protonated molecules generated in the ESI source were subjected to tandem mass spectrometric experiments in a triple-quadrupole mass spectrometer. The main fragmentation reactions were characterized for each analyte and specific mass spectral transitions were used to acquire chromatographic data in the multiple reaction monitoring detection mode. Results obtained during optimization of the sheath liquid composition and flow-rate suggest that the electrospray process was mainly under the control of the make-up solution, and that it forms an external charged layer around a neutral chromatographic mobile phase core. This sheath liquid interface was implemented for the analysis of some neoflavonoid compounds and its performance was evaluated. Limits of detection were established for calophillolide, inophyllum B, inophyllum P and inophyllum C at 100, 25, 15 and 100 ng ml(-1), respectively.

Comparative analysis of guide mode of government - oriented industry guidance funds under china’s new normal of economic growth

NASA Astrophysics Data System (ADS)

Sun, Chunling; Cheng, Xuemei

2017-11-01

The government-oriented industry guidance Funds solve the problem of financing difficulty and high innovation under the background of China’s new normal. Through the provinces and cities of the policies and regulations of the collation and comparative analysis, it will be divided into three modes. And then compare among three modes and analyze applicability to guide the construction of provinces and cities.

Modeling Pulse Transmission in the Monterey Bay Using Parabolic Equation Methods

DTIC Science & Technology

1991-12-01

Collins 9-13 was chosen for this purpose due its energy conservation scheme , and its ability to efficiently incorporate higher order terms in its...pressure field generated by the PE model into normal modes. Additionally, this process provides increased physical understanding of mode coupling and...separation of variables (i.e. normal modes or fast field), as well as pure numerical schemes such as the parabolic equation methods, can be used. However, as

On the identification of normal modes of oscillation from observations of the solar periphery

NASA Technical Reports Server (NTRS)

Gough, D. D.; Latour, J.

1984-01-01

The decomposition of solar oscillations into their constituent normal modes requires a knowledge of both the spatial and temporal variation of the perturbation to the Sun's surface. The task is especially difficult when only limited spatial information is available. Observations of the limb darkening function, for example, are probably sensitive to too large a number of modes to permit most of the modes to be identified in a power spectrum of measurements at only a few points on the limb, unless the results are combined with other data. A procedure was considered by which the contributions from quite small groups of modes to spatially well resolved data obtained at any instant can be extracted from the remaining modes. Combining these results with frequency information then permits the modes to be identified, at least if their frequencies are low enough to ensure that modes of high degree do not contribute substantially to the signal.

Computational modes and the Machenauer N.L.N.M.I. of the GLAS 4th order model. [NonLinear Normal Mode Initialization in numerical weather forecasting

NASA Technical Reports Server (NTRS)

Navon, I. M.; Bloom, S.; Takacs, L. L.

1985-01-01

An attempt was made to use the GLAS global 4th order shallow water equations to perform a Machenhauer nonlinear normal mode initialization (NLNMI) for the external vertical mode. A new algorithm was defined for identifying and filtering out computational modes which affect the convergence of the Machenhauer iterative procedure. The computational modes and zonal waves were linearly initialized and gravitational modes were nonlinearly initialized. The Machenhauer NLNMI was insensitive to the absence of high zonal wave numbers. The effects of the Machenhauer scheme were evaluated by performing 24 hr integrations with nondissipative and dissipative explicit time integration models. The NLNMI was found to be inferior to the Rasch (1984) pseudo-secant technique for obtaining convergence when the time scales of nonlinear forcing were much smaller than the time scales expected from the natural frequency of the mode.

Normal modes in an overmoded circular waveguide coated with lossy material

NASA Technical Reports Server (NTRS)

Lee, C. S.; Lee, S. W.; Chuang, S. L.

1985-01-01

The normal modes in an overmoded waveguide coated with a lossy material are analyzed, particularly for their attenuation properties as a function of coating material, layer thickness, and frequency. When the coating material is not too lossy, the low-order modes are highly attenuated even with a thin layer of coating. This coated guide serves as a mode suppressor of the low-order modes, which can be particularly useful for reducing the radar cross section (RCS) of a cavity structure such as a jet inlet. When the coating material is very lossy, low-order modes fall into two distinct groups: highly and lowly attenuated modes. However, as a/lambda (a = radius of the cylinder; lambda = the free-space wavelength) increases, the separation between these two groups becomes less distinctive. The attenuation constants of most of the low-order modes become small, and decrease as a function of lambda sup 2/a sup 3.

Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.

PubMed

Farag, Marwa H; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

2013-05-28

Nonequilibrium Molecular Dynamics (MD) simulations coupled to instantaneous normal modes (INMs) analysis are used to study the vibrational relaxation of the acetyl and amino-end amide I modes of the alanine dipeptide (AlaD) molecule dissolved in water (D2O). The INMs are assigned in terms of the equilibrium normal modes using the Effective Atomic Min-Cost algorithm as adapted to make use of the outputs of standard MD packages, a method which is well suited for the description of flexible molecules. The relaxation energy curves of both amide I modes show multiexponential decays, in good agreement with the experimental findings. It is found that ~85%-90% of the energy relaxes through intramolecular vibrational redistribution. The main relaxation pathways are also identified. The rate at which energy is transferred into the solvent is similar for the acetyl-end and amino-end amide I modes. The conformational changes occurring during relaxation are investigated, showing that the populations of the alpha and beta region conformers are altered by energy transfer in such a way that it takes 15 ps for the equilibrium conformational populations to be recovered after the initial excitation of the AlaD molecule.

Nonlinear normal modes modal interactions and isolated resonance curves

DOE PAGES

Kuether, Robert J.; Renson, L.; Detroux, T.; ...

2015-05-21

The objective of the present study is to explore the connection between the nonlinear normal modes of an undamped and unforced nonlinear system and the isolated resonance curves that may appear in the damped response of the forced system. To this end, an energy balance technique is used to predict the amplitude of the harmonic forcing that is necessary to excite a specific nonlinear normal mode. A cantilever beam with a nonlinear spring at its tip serves to illustrate the developments. Furthermore, the practical implications of isolated resonance curves are also discussed by computing the beam response to sine sweepmore » excitations of increasing amplitudes.« less

Relativistic stellar stability: Preferred-frame effects

NASA Technical Reports Server (NTRS)

Ni, W.

1973-01-01

Possible preferred-frame effects on stellar stability were examined and no new instabilities were found. In particular, it is shown that: (1) Although terms linear in the preferred-frame velocity w (time-odd terms, analogous to viscosity and energy generation) change the shapes of the normal modes, their symmetry properties prevent them from changing the characteristic frequencies. Thus, no new vibrational or secular instabilities can occur. (2) Terms quadratic in w do not change either the shapes of the normal modes or the characteristic frequencies for radial pulsations. Thus, they have no influence on radial stability. (3) Terms quadratic in w do change both the normal modes and the characteristic frequencies of nonradial pulsations; but in the limit of a neutral mode these changes vanish. Hence, there is no modification of the criterion for convective stability, i.e., the standard Schwarzschild criterion remains valid.

Guidance, navigation, and control subsystem for the EOS-AM spacecraft

NASA Technical Reports Server (NTRS)

Linder, David M.; Tolek, Joseph T.; Lombardo, John

1992-01-01

This paper presents the preliminary design of the Guidance, Navigation, and Control (GN&C) subsystem for the EOS-AM spacecraft and specifically focuses on the GN&C Normal Mode design. First, a brief description of the EOS-AM science mission, instruments, and system-level spacecraft design is provided. Next, an overview of the GN&C subsystem functional and performance requirements, hardware, and operating modes is presented. Then, the GN&C Normal Mode attitude determination, attitude control, and navigation systems are detailed. Finally, descriptions of the spacecraft's overall jitter performance and Safe Mode are provided.

Modeling the Influence of Injection Modes on the Evolution of Solution Sprays in a Plasma Jet

NASA Astrophysics Data System (ADS)

Shan, Y.; Coyle, T. W.; Mostaghimi, J.

2010-01-01

Solution precursor plasma spraying (SPPS) is a novel technology with great potential for depositing finely structured ceramic coatings with nano- and sub-micrometric features. The solution is injected into the plasma jet either as a liquid stream or gas atomized droplets. Solution droplets or the stream interact with the plasma jet and break up into fine droplets. The solvent vaporizes very fast as the droplets travel downstream. Solid particles are finally formed, and the particle are heated up and accelerated to the substrate to generate the coating. The deposition process and the properties of coatings obtained are extremely sensitive to the process parameters, such as torch operating conditions, injection modes, injection parameters, and substrate temperatures. This article numerically investigates the effect of injection modes, a liquid stream injection and a gas-blast injection, on the size distribution of injected droplets. The particle/droplet size, temperature, and position distributions on the substrate are predicted for different injection modes.

A mixed-mode crack analysis of isotropic solids using conservation laws of elasticity

NASA Technical Reports Server (NTRS)

Yau, J. F.; Wang, S. S.; Corten, H. T.

1980-01-01

A simple and convenient method of analysis for studying two-dimensional mixed-mode crack problems is presented. The analysis is formulated on the basis of conservation laws of elasticity and of fundamental relationships in fracture mechanics. The problem is reduced to the determination of mixed-mode stress-intensity factor solutions in terms of conservation integrals involving known auxiliary solutions. One of the salient features of the present analysis is that the stress-intensity solutions can be determined directly by using information extracted in the far field. Several examples with solutions available in the literature are solved to examine the accuracy and other characteristics of the current approach. This method is demonstrated to be superior in its numerical simplicity and computational efficiency to other approaches. Solutions of more complicated and practical engineering fracture problems dealing with the crack emanating from a circular hole are presented also to illustrate the capacity of this method

Experimental study of isolas in nonlinear systems featuring modal interactions

PubMed Central

Noël, Jean-Philippe; Virgin, Lawrence N.; Kerschen, Gaëtan

2018-01-01

The objective of the present paper is to provide experimental evidence of isolated resonances in the frequency response of nonlinear mechanical systems. More specifically, this work explores the presence of isolas, which are periodic solutions detached from the main frequency response, in the case of a nonlinear set-up consisting of two masses sliding on a horizontal guide. A careful experimental investigation of isolas is carried out using responses to swept-sine and stepped-sine excitations. The experimental findings are validated with advanced numerical simulations combining nonlinear modal analysis and bifurcation monitoring. In particular, the interactions between two nonlinear normal modes are shown to be responsible for the creation of the isolas. PMID:29584758

A frequency domain global parameter estimation method for multiple reference frequency response measurements

NASA Astrophysics Data System (ADS)

Shih, C. Y.; Tsuei, Y. G.; Allemang, R. J.; Brown, D. L.

1988-10-01

A method of using the matrix Auto-Regressive Moving Average (ARMA) model in the Laplace domain for multiple-reference global parameter identification is presented. This method is particularly applicable to the area of modal analysis where high modal density exists. The method is also applicable when multiple reference frequency response functions are used to characterise linear systems. In order to facilitate the mathematical solution, the Forsythe orthogonal polynomial is used to reduce the ill-conditioning of the formulated equations and to decouple the normal matrix into two reduced matrix blocks. A Complex Mode Indicator Function (CMIF) is introduced, which can be used to determine the proper order of the rational polynomials.

User's Manual for DuctE3D: A Program for 3D Euler Unsteady Aerodynamic and Aeroelastic Analysis of Ducted Fans

NASA Technical Reports Server (NTRS)

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

1997-01-01

The program DuctE3D is used for steady or unsteady aerodynamic and aeroelastic analysis of ducted fans. This guide describes the input data required and the output files generated, in using DuctE3D. The analysis solves three dimensional unsteady, compressible Euler equations to obtain the aerodynamic forces. A normal mode structural analysis is used to obtain the aeroelastic equations, which are solved using either the time domain or the frequency domain solution method. Sample input and output files are included in this guide for steady aerodynamic analysis and aeroelastic analysis of an isolated fan row.

Angular motion equations for a satellite with hinged flexible solar panel

NASA Astrophysics Data System (ADS)

Ovchinnikov, M. Yu.; Tkachev, S. S.; Roldugin, D. S.; Nuralieva, A. B.; Mashtakov, Y. V.

2016-11-01

Non-linear mathematical model for the satellite with hinged flexible solar panel is presented. Normal modes of flexible elements are used for motion description. Motion equations are derived using virtual work principle. A comparison of normal modes calculation between finite element method and developed model is presented.

The initial-value problem for viscous channel flows

NASA Technical Reports Server (NTRS)

Criminale, W. O.; Jackson, T. L.; Lasseigne, D. G.

1995-01-01

Plane viscous channel flows are perturbed and the ensuing initial-value problems are investigated in detail. Unlike traditional methods where traveling wave normal modes are assumed for solution, this works offers a means whereby completely arbitrary initial input can be specified without having to resort to eigenfunction expansions. The full temporal behavior, including both early time transients and the long time asymptotics, can be determined for any initial disturbance. Effects of three-dimensionality can be assessed. The bases for the analysis are: (a) linearization of the governing equations; (b) Fourier decomposition in the spanwise and streamwise directions of the flow; and (c) direct numerical integration of the resulting partial differential equations. All of the stability data that are known for such flows can be reproduced. Also, the optimal initial condition can be determined in a straight forward manner and such optimal conditions clearly reflect transient growth data that is easily determined by a rational choice of a basis for the initial conditions. Although there can be significant transient growth for subcritical values of the Reynolds number using this approach it does not appear possible that arbitrary initial conditions will lead to the exceptionally large transient amplitudes that have been determined by optimization of normal modes. The approach is general and can be applied to other classes of problems where only a finite discrete spectrum exists, such as the boundary layer for example.

Calculations of lattice vibrational mode lifetimes using Jazz: a Python wrapper for LAMMPS

NASA Astrophysics Data System (ADS)

Gao, Y.; Wang, H.; Daw, M. S.

2015-06-01

Jazz is a new python wrapper for LAMMPS [1], implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in that package. The anharmonic character of the normal modes is analyzed via the Monte Carlo-based moments approximation as is described in Gao and Daw [2]. It is distributed as open-source software and can be downloaded from the website http://jazz.sourceforge.net/.

03pd0676

NASA Image and Video Library

2003-03-07

File name :DSC_0749.JPG File size :1.1MB(1174690Bytes) Date taken :2003/03/07 13:51:29 Image size :2000 x 1312 Resolution :300 x 300 dpi Number of bits :8bit/channel Protection attribute :Off Hide Attribute :Off Camera ID :N/A Camera :NIKON D1H Quality mode :FINE Metering mode :Matrix Exposure mode :Shutter priority Speed light :No Focal length :20 mm Shutter speed :1/500second Aperture :F11.0 Exposure compensation :0 EV White Balance :Auto Lens :20 mm F 2.8 Flash sync mode :N/A Exposure difference :0.0 EV Flexible program :No Sensitivity :ISO200 Sharpening :Normal Image Type :Color Color Mode :Mode II(Adobe RGB) Hue adjustment :3 Saturation Control :N/A Tone compensation :Normal Latitude(GPS) :N/A Longitude(GPS) :N/A Altitude(GPS) :N/A

Virtual interface substructure synthesis method for normal mode analysis of super-large molecular complexes at atomic resolution.

PubMed

Chen, Xuehui; Sun, Yunxiang; An, Xiongbo; Ming, Dengming

2011-10-14

Normal mode analysis of large biomolecular complexes at atomic resolution remains challenging in computational structure biology due to the requirement of large amount of memory space and central processing unit time. In this paper, we present a method called virtual interface substructure synthesis method or VISSM to calculate approximate normal modes of large biomolecular complexes at atomic resolution. VISSM introduces the subunit interfaces as independent substructures that join contacting molecules so as to keep the integrity of the system. Compared with other approximate methods, VISSM delivers atomic modes with no need of a coarse-graining-then-projection procedure. The method was examined for 54 protein-complexes with the conventional all-atom normal mode analysis using CHARMM simulation program and the overlap of the first 100 low-frequency modes is greater than 0.7 for 49 complexes, indicating its accuracy and reliability. We then applied VISSM to the satellite panicum mosaic virus (SPMV, 78,300 atoms) and to F-actin filament structures of up to 39-mer, 228,813 atoms and found that VISSM calculations capture functionally important conformational changes accessible to these structures at atomic resolution. Our results support the idea that the dynamics of a large biomolecular complex might be understood based on the motions of its component subunits and the way in which subunits bind one another. © 2011 American Institute of Physics

Guidelines and Parameter Selection for the Simulation of Progressive Delamination

NASA Technical Reports Server (NTRS)

Song, Kyongchan; Davila, Carlos G.; Rose, Cheryl A.

2008-01-01

Turon s methodology for determining optimal analysis parameters for the simulation of progressive delamination is reviewed. Recommended procedures for determining analysis parameters for efficient delamination growth predictions using the Abaqus/Standard cohesive element and relatively coarse meshes are provided for single and mixed-mode loading. The Abaqus cohesive element, COH3D8, and a user-defined cohesive element are used to develop finite element models of the double cantilever beam specimen, the end-notched flexure specimen, and the mixed-mode bending specimen to simulate progressive delamination growth in Mode I, Mode II, and mixed-mode fracture, respectively. The predicted responses are compared with their analytical solutions. The results show that for single-mode fracture, the predicted responses obtained with the Abaqus cohesive element correlate well with the analytical solutions. For mixed-mode fracture, it was found that the response predicted using COH3D8 elements depends on the damage evolution criterion that is used. The energy-based criterion overpredicts the peak loads and load-deflection response. The results predicted using a tabulated form of the BK criterion correlate well with the analytical solution and with the results predicted with the user-written element.

Enhanced removal of sulfonamide antibiotics by KOH-activated anthracite coal: Batch and fixed-bed studies.

PubMed

Zuo, Linzi; Ai, Jing; Fu, Heyun; Chen, Wei; Zheng, Shourong; Xu, Zhaoyi; Zhu, Dongqiang

2016-04-01

The presence of sulfonamide antibiotics in aquatic environments poses potential risks to human health and ecosystems. In the present study, a highly porous activated carbon was prepared by KOH activation of an anthracite coal (Anth-KOH), and its adsorption properties toward two sulfonamides (sulfamethoxazole and sulfapyridine) and three smaller-sized monoaromatics (phenol, 4-nitrophenol and 1,3-dinitrobenzene) were examined in both batch and fixed-bed adsorption experiments to probe the interplay between adsorbate molecular size and adsorbent pore structure. A commercial powder microporous activated carbon (PAC) and a commercial mesoporous carbon (CMK-3) possessing distinct pore properties were included as comparative adsorbents. Among the three adsorbents Anth-KOH exhibited the largest adsorption capacities for all test adsorbates (especially the two sulfonamides) in both batch mode and fixed-bed mode. After being normalized by the adsorbent surface area, the batch adsorption isotherms of sulfonamides on PAC and Anth-KOH were displaced upward relative to the isotherms on CMK-3, likely due to the micropore-filling effect facilitated by the microporosity of adsorbents. In the fixed-bed mode, the surface area-normalized adsorption capacities of Anth-KOH for sulfonamides were close to that of CMK-3, and higher than that of PAC. The irregular, closed micropores of PAC might impede the diffusion of the relatively large-sized sulfonamide molecules and in turn led to lowered fixed-bed adsorption capacities. The overall superior adsorption of sulfonamides on Anth-KOH can be attributed to its large specific surface area (2514 m(2)/g), high pore volume (1.23 cm(3)/g) and large micropore sizes (centered at 2.0 nm). These findings imply that KOH-activated anthracite coal is a promising adsorbent for the removal of sulfonamide antibiotics from aqueous solution. Copyright © 2016 Elsevier Ltd. All rights reserved.

Symmetry, stability, and computation of degenerate lasing modes

NASA Astrophysics Data System (ADS)

Liu, David; Zhen, Bo; Ge, Li; Hernandez, Felipe; Pick, Adi; Burkhardt, Stephan; Liertzer, Matthias; Rotter, Stefan; Johnson, Steven G.

2017-02-01

We present a general method to obtain the stable lasing solutions for the steady-state ab initio lasing theory (SALT) for the case of a degenerate symmetric laser in two dimensions (2D). We find that under most regimes (with one pathological exception), the stable solutions are clockwise and counterclockwise circulating modes, generalizing previously known results of ring lasers to all 2D rotational symmetry groups. Our method uses a combination of semianalytical solutions close to lasing threshold and numerical solvers to track the lasing modes far above threshold. Near threshold, we find closed-form expressions for both circulating modes and other types of lasing solutions as well as for their linearized Maxwell-Bloch eigenvalues, providing a simple way to determine their stability without having to do a full nonlinear numerical calculation. Above threshold, we show that a key feature of the circulating mode is its "chiral" intensity pattern, which arises from spontaneous symmetry breaking of mirror symmetry, and whose symmetry group requires that the degeneracy persists even when nonlinear effects become important. Finally, we introduce a numerical technique to solve the degenerate SALT equations far above threshold even when spatial discretization artificially breaks the degeneracy.

Two Novel Methods and Multi-Mode Periodic Solutions for the Fermi-Pasta-Ulam Model

NASA Astrophysics Data System (ADS)

Arioli, Gianni; Koch, Hans; Terracini, Susanna

2005-04-01

We introduce two novel methods for studying periodic solutions of the FPU β-model, both numerically and rigorously. One is a variational approach, based on the dual formulation of the problem, and the other involves computer-assisted proofs. These methods are used e.g. to construct a new type of solutions, whose energy is spread among several modes, associated with closely spaced resonances.

The MCNP6 Analytic Criticality Benchmark Suite

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

Brown, Forrest B.

2016-06-16

Analytical benchmarks provide an invaluable tool for verifying computer codes used to simulate neutron transport. Several collections of analytical benchmark problems [1-4] are used routinely in the verification of production Monte Carlo codes such as MCNP® [5,6]. Verification of a computer code is a necessary prerequisite to the more complex validation process. The verification process confirms that a code performs its intended functions correctly. The validation process involves determining the absolute accuracy of code results vs. nature. In typical validations, results are computed for a set of benchmark experiments using a particular methodology (code, cross-section data with uncertainties, and modeling)more » and compared to the measured results from the set of benchmark experiments. The validation process determines bias, bias uncertainty, and possibly additional margins. Verification is generally performed by the code developers, while validation is generally performed by code users for a particular application space. The VERIFICATION_KEFF suite of criticality problems [1,2] was originally a set of 75 criticality problems found in the literature for which exact analytical solutions are available. Even though the spatial and energy detail is necessarily limited in analytical benchmarks, typically to a few regions or energy groups, the exact solutions obtained can be used to verify that the basic algorithms, mathematics, and methods used in complex production codes perform correctly. The present work has focused on revisiting this benchmark suite. A thorough review of the problems resulted in discarding some of them as not suitable for MCNP benchmarking. For the remaining problems, many of them were reformulated to permit execution in either multigroup mode or in the normal continuous-energy mode for MCNP. Execution of the benchmarks in continuous-energy mode provides a significant advance to MCNP verification methods.« less

Solute transport along preferential flow paths in unsaturated fractures

USGS Publications Warehouse

Su, Grace W.; Geller, Jil T.; Pruess, Karsten; Hunt, James R.

2001-01-01

Laboratory experiments were conducted to study solute transport along preferential flow paths in unsaturated, inclined fractures. Qualitative aspects of solute transport were identified in a miscible dye tracer experiment conducted in a transparent replica of a natural granite fracture. Additional experiments were conducted to measure the breakthrough curves of a conservative tracer introduced into an established preferential flow path in two different fracture replicas and a rock‐replica combination. The influence of gravity was investigated by varying fracture inclination. The relationship between the travel times of the solute and the relative influence of gravity was substantially affected by two modes of intermittent flow that occurred: the snapping rivulet and the pulsating blob modes. The measured travel times of the solute were evaluated with three transfer function models: the axial dispersion, the reactors‐in‐series, and the lognormal models. The three models described the solute travel times nearly equally well. A mechanistic model was also formulated to describe transport when the pulsating blob mode occurred which assumed blobs of water containing solute mixed with residual pools of water along the flow path.

Lipid Profiles of Canine Invasive Transitional Cell Carcinoma of the Urinary Bladder and Adjacent Normal Tissue by Desorption Electrospray Ionization Imaging Mass Spectrometry

PubMed Central

Dill, Allison L.; Ifa, Demian R.; Manicke, Nicholas E.; Costa, Anthony B.; Ramos-Vara, José A.; Knapp, Deborah W.; Cooks, R. Graham

2009-01-01

Desorption electrospray ionization (DESI) mass spectrometry (MS) was used in an imaging mode to interrogate the lipid profiles of thin tissue sections of canine spontaneous invasive transitional cell carcinoma (TCC) of the urinary bladder (a model of human invasive bladder cancer) as well as adjacent normal tissue from four different dogs. The glycerophospholipids and sphingolipids that appear as intense signals in both the negative ion and positive ion modes were identified by tandem mass spectrometry (MS/MS) product ion scans using collision-induced dissociation. Differences in the relative distributions of the lipid species were present between the tumor and adjacent normal tissue in both the negative and positive ion modes. DESI-MS images showing the spatial distributions of particular glycerophospholipids, sphinoglipids and free fatty acids in both the negative and positive ion modes were compared to serial tissue sections that were stained with hematoxylin and eosin (H&E). Increased absolute and relative intensities for at least five different glycerophospholipids and three free fatty acids in the negative ion mode and at least four different lipid species in the positive ion mode were seen in the tumor region of the samples in all four dogs. In addition, one sphingolipid species exhibited increased signal intensity in the positive ion mode in normal tissue relative to the diseased tissue. Principal component analysis (PCA) was also used to generate unsupervised statistical images from the negative ion mode data and these images are in excellent agreement with the DESI images obtained from the selected ions and also the H&E stained tissue PMID:19810710

A reduced-order model for compressible flows with buffeting condition using higher order dynamic mode decomposition with a mode selection criterion

NASA Astrophysics Data System (ADS)

Kou, Jiaqing; Le Clainche, Soledad; Zhang, Weiwei

2018-01-01

This study proposes an improvement in the performance of reduced-order models (ROMs) based on dynamic mode decomposition to model the flow dynamics of the attractor from a transient solution. By combining higher order dynamic mode decomposition (HODMD) with an efficient mode selection criterion, the HODMD with criterion (HODMDc) ROM is able to identify dominant flow patterns with high accuracy. This helps us to develop a more parsimonious ROM structure, allowing better predictions of the attractor dynamics. The method is tested in the solution of a NACA0012 airfoil buffeting in a transonic flow, and its good performance in both the reconstruction of the original solution and the prediction of the permanent dynamics is shown. In addition, the robustness of the method has been successfully tested using different types of parameters, indicating that the proposed ROM approach is a tool promising for using in both numerical simulations and experimental data.

Tris-amidoximate uranyl complexes via η2 binding mode coordinated in aqueous solution shown by X-ray absorption spectroscopy and density functional theory methods.

PubMed

Zhang, Linjuan; Qie, Meiying; Su, Jing; Zhang, Shuo; Zhou, Jing; Li, Jiong; Wang, Yu; Yang, Shitong; Wang, Shuao; Li, Jingye; Wu, Guozhong; Wang, Jian Qiang

2018-03-01

The present study sheds some light on the long-standing debate concerning the coordination properties between uranyl ions and the amidoxime ligand, which is a key ingredient for achieving efficient extraction of uranium. Using X-ray absorption fine structure combined with theoretical simulation methods, the binding mode and bonding nature of a uranyl-amidoxime complex in aqueous solution were determined for the first time. The results show that in a highly concentrated amidoxime solution the preferred binding mode between UO 2 2+ and the amidoxime ligand is η 2 coordination with tris-amidoximate species. In such a uranyl-amidoximate complex with η 2 binding motif, strong covalent interaction and orbital hybridization between U 5f/6d and (N, O) 2p should be responsible for the excellent binding ability of the amidoximate ligand to uranyl. The study was performed directly in aqueous solution to avoid the possible binding mode differences caused by crystallization of a single-crystal sample. This work also is an example of the simultaneous study of local structure and electronic structure in solution systems using combined diagnostic tools.

On concentrated solute sources in faulted aquifers

NASA Astrophysics Data System (ADS)

Robinson, N. I.; Werner, A. D.

2017-06-01

Finite aperture faults and fractures within aquifers (collectively called 'faults' hereafter) theoretically enable flowing water to move through them but with refractive displacement, both on entry and exit. When a 2D or 3D point source of solute concentration is located upstream of the fault, the plume emanating from the source relative to one in a fault-free aquifer is affected by the fault, both before it and after it. Previous attempts to analyze this situation using numerical methods faced challenges in overcoming computational constraints that accompany requisite fine mesh resolutions. To address these, an analytical solution of this problem is developed and interrogated using statistical evaluation of solute distributions. The method of solution is based on novel spatial integral representations of the source with axes rotated from the direction of uniform water flow and aligning with fault faces and normals. Numerical exemplification is given to the case of a 2D steady state source, using various parameter combinations. Statistical attributes of solute plumes show the relative impact of parameters, the most important being, fault rotation, aperture and conductivity ratio. New general observations of fault-affected solution plumes are offered, including: (a) the plume's mode (i.e. peak concentration) on the downstream face of the fault is less displaced than the refracted groundwater flowline, but at some distance downstream of the fault, these realign; (b) porosities have no influence in steady state calculations; (c) previous numerical modeling results of barrier faults show significant boundary effects. The current solution adds to available benchmark problems involving fractures, faults and layered aquifers, in which grid resolution effects are often barriers to accurate simulation.

Relationships between nonlinear normal modes and response to random inputs

NASA Astrophysics Data System (ADS)

Schoneman, Joseph D.; Allen, Matthew S.; Kuether, Robert J.

2017-02-01

The ability to model nonlinear structures subject to random excitation is of key importance in designing hypersonic aircraft and other advanced aerospace vehicles. When a structure is linear, superposition can be used to construct its response to a known spectrum in terms of its linear modes. Superposition does not hold for a nonlinear system, but several works have shown that a system's dynamics can still be understood qualitatively in terms of its nonlinear normal modes (NNMs). This work investigates the connection between a structure's undamped nonlinear normal modes and the spectrum of its response to high amplitude random forcing. Two examples are investigated: a spring-mass system and a clamped-clamped beam modeled within a geometrically nonlinear finite element package. In both cases, an intimate connection is observed between the smeared peaks in the response spectrum and the frequency-energy dependence of the nonlinear normal modes. In order to understand the role of coupling between the underlying linear modes, reduced order models with and without modal coupling terms are used to separate the effect of each NNM's backbone from the nonlinear couplings that give rise to internal resonances. In the cases shown here, uncoupled, single-degree-of-freedom nonlinear models are found to predict major features in the response with reasonable accuracy; a highly inexpensive approximation such as this could be useful in design and optimization studies. More importantly, the results show that a reduced order model can be expected to give accurate results only if it is also capable of accurately predicting the frequency-energy dependence of the nonlinear modes that are excited.

Quasi-normal modes of extremal BTZ black holes in TMG

NASA Astrophysics Data System (ADS)

Afshar, Hamid R.; Alishahiha, Mohsen; Mosaffa, Amir E.

2010-08-01

We study the spectrum of tensor perturbations on extremal BTZ black holes in topologically massive gravity for arbitrary values of the coefficient of the Chern-Simons term, μ. Imposing proper boundary conditions at the boundary of the space and at the horizon, we find that the spectrum contains quasi-normal modes.

Analysis of the nonlinearity of Asian summer monsoon intraseasonal variability using spherical PDFs

NASA Astrophysics Data System (ADS)

Jajcay, Nikola; Hannachi, Abdel

2013-04-01

The Asian summer monsoon (ASM) is a high-dimensional and highly complex phenomenon affecting more than one fifth of the world population. The intraseasonal component of the ASM undergoes periods of active and break phases associated respectively with enhanced and reduced rainfall over the Indian subcontinent and surroundings. In this paper the nonlinear nature of the intraseasonal monsoon variability is investigated using the leading EOFs of ERA-40 sea level pressure reanalyses field over the ASM region. The probability density function is then computed in spherical coordinates using a Epaneshnikov kernel method. Three significant modes are identified. They represent respectively (i) East - West mode with above normal sea level pressure over East China sea and below normal pressure over Himalayas, (ii) mode with above normal sea level pressure over East China sea (without compensating centre of opposite sign as in (i)) and (iii) mode with below normal sea level pressure over East China sea (same as (ii) but with opposite sign). Relationship to large scale flow are also investigated and discussed.

Mode detuning in systems of weakly coupled oscillators

NASA Astrophysics Data System (ADS)

Spencer, Ross L.; Robertson, Richard D.

2001-11-01

A system of weakly magnetically coupled oscillating blades is studied experimentally, computationally, and theoretically. It is found that when the uncoupled natural frequencies of the blades are nearly equal, the normal modes produced by the coupling are almost impossible to find experimentally if the random variation level in the system parameters is on the order of (or larger than) the relative differences between mode frequencies. But if the uncoupled natural frequencies are made to vary (detuned) in a smooth way such that the total relative spread in natural frequency exceeds the random variations, normal modes are rather easy to find. And if the detuned uncoupled frequencies of the system are parabolically distributed, the modes are found to be shaped like Hermite functions.

Shear-coupled grain-boundary migration dependence on normal strain/stress

NASA Astrophysics Data System (ADS)

Combe, N.; Mompiou, F.; Legros, M.

2017-08-01

In specific conditions, grain-boundary (GB) migration occurs in polycrystalline materials as an alternative vector of plasticity compared to the usual dislocation activity. The shear-coupled GB migration, the expected most efficient GB based mechanism, couples the GB motion to an applied shear stress. Stresses on GB in polycrystalline materials seldom have, however, a unique pure shear component. This work investigates the influence of a normal strain on the shear coupled migration of a Σ 13 (320 )[001 ] GB in a copper bicrystal using atomistic simulations. We show that the yield shear stress inducing the GB migration strongly depends on the applied normal stress. Beyond, the application of a normal stress on this GB qualitatively modifies the GB migration: while the Σ 13 (320 )[001 ] GB shear couples following the 〈110 〉 migration mode without normal stress, we report the observation of the 〈010 〉 mode under a sufficiently high tensile normal stress. Using the nudge elastic band method, we uncover the atomistic mechanism of this 〈010 〉 migration mode and energetically characterize it.

Monte Carlo criticality source convergence in a loosely coupled fuel storage system.

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

Blomquist, R. N.; Gelbard, E. M.

2003-06-10

The fission source convergence of a very loosely coupled array of 36 fuel subassemblies with slightly non-symmetric reflection is studied. The fission source converges very slowly from a uniform guess to the fundamental mode in which about 40% of the fissions occur in one corner subassembly. Eigenvalue and fission source estimates are analyzed using a set of statistical tests similar to those used in MCNP, including the ''drift-in-mean'' test and a new drift-in-mean test using a linear fit to the cumulative estimate drift, the Shapiro-Wilk test for normality, the relative error test, and the ''1/N'' test. The normality test doesmore » not detect a drifting eigenvalue or fission source. Applied to eigenvalue estimates, the other tests generally fail to detect an unconverged solution, but they are sometimes effective when evaluating fission source distributions. None of the test provides completely reliable indication of convergence, although they can detect nonconvergence.« less

Design of satellite flexibility experiments

NASA Technical Reports Server (NTRS)

Kaplan, M. H.; Hillard, S. E.

1977-01-01

A preliminary study has been completed to begin development of a flight experiment to measure spacecraft control/flexible structure interaction. The work reported consists of two phases: identification of appropriate structural parameters which can be associated with flexibility phenomena, and suggestions for the development of an experiment for a satellite configuration typical of near-future vehicles which are sensitive to such effects. Recommendations are made with respect to the type of data to be collected and instrumentation associated with these data. The approach consists of developing the equations of motion for a vehicle possessing a flexible solar array, then linearizing about some nominal motion of the craft. A set of solutions are assumed for array deflection using a continuous normal mode method and important parameters are exposed. Inflight and ground based measurements are distinguished. Interrelationships between these parameters, measurement techniques, and input requirements are discussed which assure minimization of special vehicle maneuvers and optimization of data to be obtained during the normal flight sequence.

On the stability of non-supersymmetric supergravity solutions

NASA Astrophysics Data System (ADS)

Imaanpur, Ali; Zameni, Razieh

2017-09-01

We examine the stability of some non-supersymmetric supergravity solutions that have been found recently. The first solution is AdS5 ×M6, for M6 an stretched CP3. We consider breathing and squashing mode deformations of the metric, and find that the solution is stable against small fluctuations of this kind. Next we consider type IIB solution of AdS2 ×M8, where the compact space is a U (1) bundle over N (1 , 1). We study its stability under the deformation of M8 and the 5-form flux. In this case we also find that the solution is stable under small fluctuation modes of the corresponding deformations.

Higher order mode couplers for normal conducting DORIS 5-cell cavities

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

Dewersteg, B.; Seesselberg, E.; Zolfaghari, A.

1985-10-01

The beam intensity of the DORIS e -e storage ring is limited to about 100 mA average circulation current as a result of instabilities driven by higher order rf cavity modes. Thus an investigation has been made of the higher order mode impedances of the DORIS rf accelerator cavities. These cavities are the same as the normally conducting inductively coupled 500 MHz 5-cell structures used in PETRA. The results of the investigation were applied for the construction of inductive and capacitive attenuation antennae corresponding to specific mode spectra and mode impedances. The antennae must fit into the existing 35 mmmore » pick up flanges of the cavities and in spite of these size and position limitations they must be efficient in reducing the shunt impedances of the dangerous modes.« less

Conjugate gradient filtering of instantaneous normal modes, saddles on the energy landscape, and diffusion in liquids.

PubMed

Chowdhary, J; Keyes, T

2002-02-01

Instantaneous normal modes (INM's) are calculated during a conjugate-gradient (CG) descent of the potential energy landscape, starting from an equilibrium configuration of a liquid or crystal. A small number (approximately equal to 4) of CG steps removes all the Im-omega modes in the crystal and leaves the liquid with diffusive Im-omega which accurately represent the self-diffusion constant D. Conjugate gradient filtering appears to be a promising method, applicable to any system, of obtaining diffusive modes and facilitating INM theory of D. The relation of the CG-step dependent INM quantities to the landscape and its saddles is discussed.

Polariton condensation with saturable molecules dressed by vibrational modes

DOE PAGES

Cwik, Justyna A.; Reja, Sahinur; Littlewood, Peter B.; ...

2014-02-01

Here, polaritons, mixed light-matter quasiparticles, undergo a transition to a condensed, macroscopically coherent state at low temperatures or high densities. Recent experiments show that coupling light to organic molecules inside a microcavity allows condensation at room temperature. The molecules act as saturable absorbers with transitions dressed by molecular vibrational modes. Motivated by this, we calculate the phase diagram and spectrum of a modified Tavis-Cummings model, describing vibrationally dressed two-level systems, coupled to a cavity mode. Coupling to vibrational modes can induce re-entrance, i.e. a normal-condensed-normal sequence with decreasing temperature and can drive the transition first-order.

Analysis of Coherent Phonon Signals by Sparsity-promoting Dynamic Mode Decomposition

NASA Astrophysics Data System (ADS)

Murata, Shin; Aihara, Shingo; Tokuda, Satoru; Iwamitsu, Kazunori; Mizoguchi, Kohji; Akai, Ichiro; Okada, Masato

2018-05-01

We propose a method to decompose normal modes in a coherent phonon (CP) signal by sparsity-promoting dynamic mode decomposition. While the CP signals can be modeled as the sum of finite number of damped oscillators, the conventional method such as Fourier transform adopts continuous bases in a frequency domain. Thus, the uncertainty of frequency appears and it is difficult to estimate the initial phase. Moreover, measurement artifacts are imposed on the CP signal and deforms the Fourier spectrum. In contrast, the proposed method can separate the signal from the artifact precisely and can successfully estimate physical properties of the normal modes.

Signature of nonadiabatic coupling in excited-state vibrational modes.

PubMed

Soler, Miguel A; Nelson, Tammie; Roitberg, Adrian E; Tretiak, Sergei; Fernandez-Alberti, Sebastian

2014-11-13

Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been considered. In all cases except the NP model, the influence of the nonadiabatic coupling on the excited-state equilibrium normal modes is revealed as a unique highest frequency adiabatic vibrational mode that overlaps with the coupling vector. This feature is removed by using a locally diabatic representation in which the effect of NA interaction is removed. Comparison of the original adiabatic modes with a set of vibrational modes computed in the locally diabatic representation demonstrates that the effect of nonadiabaticity is confined to only a few modes. This suggests that the nonadiabatic character of a molecular system may be detected spectroscopically by identifying these unique state-specific high frequency vibrational modes.

On the identification of normal modes of oscillation from observations of the solar periphery

NASA Technical Reports Server (NTRS)

Gough, D. O.; Latour, J.

1984-01-01

The decomposition of solar oscillations into their constituent normal modes requires a knowledge of both the spatial and temporal variation of the perturbation to the sun's surface. The task can be especially difficult when only limited spatial information is available. Observations of the limb-darkening function, for example, are probably sensitive to too large a number of modes to permit most of the modes to be identified in a power spectrum of measurements at only a few points on the limb, unless the results are combined with other data. In this paper a procedure is considered by which the contributions from quite small groups of modes to spatially well resolved data obtained at any instant can be extracted from the remaining modes. Combining these results with frequency information then permits the modes to be identified, at least if their frequencies are low enough to ensure that modes of high degree do not contribute substantially to the signal.

Solution-Phase Conformation and Dynamics of Conjugated Isoindigo-Based Donor–Acceptor Polymer Single Chains

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

Lee, Franklin L.; Farimani, Amir Barati; Gu, Kevin L.

Conjugated polymers are the key material in thin-film organic optoelectronic devices due to the versatility of these molecules combined with their semiconducting properties. A molecular-scale understanding of conjugated polymers is important to the optimization of the thin-film morphology. We examine the solution-phase behavior of conjugated isoindigo-based donor–acceptor polymer single chains of various chain lengths using atomistic molecular dynamics simulations. Our simulations elucidate the transition from a rod-like to a coil-like conformation from an analysis of normal modes and persistence length. In addition, we find another transition based on the solvent environment, contrasting the coil-like conformation in a good solvent withmore » a globule-like conformation in a poor solvent. Altogether, our results provide valuable insights into the transition between conformational regimes for conjugated polymers as a function of both the chain length and the solvent environment, which will help to accurately parametrize higher level models.« less

Solution-Phase Conformation and Dynamics of Conjugated Isoindigo-Based Donor–Acceptor Polymer Single Chains

DOE PAGES

Lee, Franklin L.; Farimani, Amir Barati; Gu, Kevin L.; ...

2017-10-25

Conjugated polymers are the key material in thin-film organic optoelectronic devices due to the versatility of these molecules combined with their semiconducting properties. A molecular-scale understanding of conjugated polymers is important to the optimization of the thin-film morphology. We examine the solution-phase behavior of conjugated isoindigo-based donor–acceptor polymer single chains of various chain lengths using atomistic molecular dynamics simulations. Our simulations elucidate the transition from a rod-like to a coil-like conformation from an analysis of normal modes and persistence length. In addition, we find another transition based on the solvent environment, contrasting the coil-like conformation in a good solvent withmore » a globule-like conformation in a poor solvent. Altogether, our results provide valuable insights into the transition between conformational regimes for conjugated polymers as a function of both the chain length and the solvent environment, which will help to accurately parametrize higher level models.« less

Using Acoustic Structure Quantification During B-Mode Sonography for Evaluation of Hashimoto Thyroiditis.

PubMed

Rhee, Sun Jung; Hong, Hyun Sook; Kim, Chul-Hee; Lee, Eun Hye; Cha, Jang Gyu; Jeong, Sun Hye

2015-12-01

This study aimed to evaluate the usefulness of Acoustic Structure Quantification (ASQ; Toshiba Medical Systems Corporation, Nasushiobara, Japan) values in the diagnosis of Hashimoto thyroiditis using B-mode sonography and to identify a cutoff ASQ level that differentiates Hashimoto thyroiditis from normal thyroid tissue. A total of 186 thyroid lobes with Hashimoto thyroiditis and normal thyroid glands underwent sonography with ASQ imaging. The quantitative results were reported in an echo amplitude analysis (Cm(2)) histogram with average, mode, ratio, standard deviation, blue mode, and blue average values. Receiver operating characteristic curve analysis was performed to assess the diagnostic ability of the ASQ values in differentiating Hashimoto thyroiditis from normal thyroid tissue. Intraclass correlation coefficients of the ASQ values were obtained between 2 observers. Of the 186 thyroid lobes, 103 (55%) had Hashimoto thyroiditis, and 83 (45%) were normal. There was a significant difference between the ASQ values of Hashimoto thyroiditis glands and those of normal glands (P < .001). The ASQ values in patients with Hashimoto thyroiditis were significantly greater than those in patients with normal thyroid glands. The areas under the receiver operating characteristic curves for the ratio, blue average, average, blue mode, mode, and standard deviation were: 0.936, 0.902, 0.893, 0.855, 0.846, and 0.842, respectively. The ratio cutoff value of 0.27 offered the best diagnostic performance, with sensitivity of 87.38% and specificity of 95.18%. The intraclass correlation coefficients ranged from 0.86 to 0.94, which indicated substantial agreement between the observers. Acoustic Structure Quantification is a useful and promising sonographic method for diagnosing Hashimoto thyroiditis. Not only could it be a helpful tool for quantifying thyroid echogenicity, but it also would be useful for diagnosis of Hashimoto thyroiditis. © 2015 by the American Institute of Ultrasound in Medicine.

Air-coupled ultrasonic through-transmission thickness measurements of steel plates.

PubMed

Waag, Grunde; Hoff, Lars; Norli, Petter

2015-02-01

Non-destructive ultrasonic testing of steel structures provide valuable information in e.g. inspection of pipes, ships and offshore structures. In many practical applications, contact measurements are cumbersome or not possible, and air-coupled ultrasound can provide a solution. This paper presents air-coupled ultrasonic through-transmission measurements on a steel plate with thicknesses 10.15 mm; 10.0 mm; 9.8 mm. Ultrasound pulses were transmitted from a piezoelectric transducer at normal incidence, through the steel plate, and were received at the opposite side. The S1, A2 and A3 modes of the plate are excited, with resonance frequencies that depend on the material properties and the thickness of the plate. The results show that the resonances could be clearly identified after transmission through the steel plate, and that the frequencies of the resonances could be used to distinguish between the three plate thicknesses. The S1-mode resonance was observed to be shifted 10% down compared to a simple plane wave half-wave resonance model, while the A2 and S2 modes were found approximately at the corresponding plane-wave resonance frequencies. A model based on the angular spectrum method was used to predict the response of the through-transmission setup. This model included the finite aperture of the transmitter and receiver, and compressional and shear waves in the solid. The model predicts the frequencies of the observed modes of the plate to within 1%, including the down-shift of the S1-mode. Copyright © 2014 Elsevier B.V. All rights reserved.

On the cross-stream spectral method for the Orr-Sommerfeld equation

NASA Technical Reports Server (NTRS)

Zorumski, William E.; Hodge, Steven L.

1993-01-01

Cross-stream models are defined as solutions to the Orr-Sommerfeld equation which are propagating normal to the flow direction. These models are utilized as a basis for a Hilbert space to approximate the spectrum of the Orr-Sommerfeld equation with plane Poiseuille flow. The cross-stream basis leads to a standard eigenvalue problem for the frequencies of Poiseuille flow instability waves. The coefficient matrix in the eigenvalue problem is shown to be the sum of a real matrix and a negative-imaginary diagonal matrix which represents the frequencies of the cross-stream modes. The real coefficient matrix is shown to approach a Toeplitz matrix when the row and column indices are large. The Toeplitz matrix is diagonally dominant, and the diagonal elements vary inversely in magnitude with diagonal position. The Poiseuille flow eigenvalues are shown to lie within Gersgorin disks with radii bounded by the product of the average flow speed and the axial wavenumber. It is shown that the eigenvalues approach the Gersgorin disk centers when the mode index is large, so that the method may be used to compute spectra with an essentially unlimited number of elements. When the mode index is large, the real part of the eigenvalue is the product of the axial wavenumber and the average flow speed, and the imaginary part of the eigen value is identical to the corresponding cross-stream mode frequency. The cross-stream method is numerically well-conditioned in comparison to Chebyshev based methods, providing equivalent accuracy for small mode indices and superior accuracy for large indices.

Analytic wave solution with helicon and Trivelpiece-Gould modes in an annular plasma

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

Carlsson, Johan; Pavarin, Daniele; Walker, Mitchell

2009-11-26

Helicon sources in an annular configuration have applications for plasma thrusters. The theory of Klozenberg et al.[J. P. Klozenberg B. McNamara and P. C. Thonemann, J. Fluid Mech. 21(1965) 545-563] for the propagation and absorption of helicon and Trivelpiece-Gould modes in a cylindrical plasma has been generalized for annular plasmas. Analytic solutions are found also in the annular case, but in the presence of both helicon and Trivelpiece-Gould modes, a heterogeneous linear system of equations must be solved to match the plasma and inner and outer vacuum solutions. The linear system can be ill-conditioned or even exactly singular, leading tomore » a dispersion relation with a discrete set of discontinuities. The coefficients for the analytic solution are calculated by solving the linear system with singular-value decomposition.« less

Intravenous dextrose for children with gastroenteritis and dehydration: a double-blind randomized controlled trial.

PubMed

Levy, Jason A; Bachur, Richard G; Monuteaux, Michael C; Waltzman, Mark

2013-03-01

We seek to determine whether an initial intravenous bolus of 5% dextrose in normal saline solution compared with normal saline solution will lead to a lower proportion of hospitalized patients and a greater reduction in serum ketone levels in children with gastroenteritis and dehydration. We enrolled children aged 6 months to 6 years in a double-blind, randomized controlled trial of patients presenting to a pediatric emergency department. Subjects were randomized to receive a 20 mL/kg infusion of either 5% dextrose in normal saline solution or normal saline solution. Serum ketone levels were measured before and at 1- and 2-hour intervals after the initial study fluid bolus administration. Primary outcome was the proportion of children hospitalized. Secondary outcome was change in serum ketone levels over time. One hundred eighty-eight children were enrolled. The proportion of children hospitalized did not differ between groups (35% in the 5% dextrose in normal saline solution group versus 44% in the normal saline solution group; risk difference 9%; 95% confidence interval [CI] -5% to 22%). Compared with children who received normal saline solution, those who received 5% dextrose in normal saline solution had a greater reduction in mean serum ketone levels at both 1 hour (mean Δ 1.2 versus 0.1 mmol/L; mean difference 1.1 mmol/L; 95% CI 0.4 to 1.9 mmol/L) and 2 hours (mean Δ 1.9 versus 0.3 mmol/L; mean difference 1.6 mmol/L; 95% CI 0.9 to 2.3 mmol/L). Administration of a dextrose-containing bolus compared with normal saline did not lead to a lower rate of hospitalization for children with gastroenteritis and dehydration. There was, however, a greater reduction in serum ketone levels in patients who received 5% dextrose in normal saline solution. Copyright © 2012. Published by Mosby, Inc.

Development of a Three-Dimensional PSE Code for Compressible Flows: Stability of Three-Dimensional Compressible Boundary Layers

NASA Technical Reports Server (NTRS)

Balakumar, P.; Jeyasingham, Samarasingham

1999-01-01

A program is developed to investigate the linear stability of three-dimensional compressible boundary layer flows over bodies of revolutions. The problem is formulated as a two dimensional (2D) eigenvalue problem incorporating the meanflow variations in the normal and azimuthal directions. Normal mode solutions are sought in the whole plane rather than in a line normal to the wall as is done in the classical one dimensional (1D) stability theory. The stability characteristics of a supersonic boundary layer over a sharp cone with 50 half-angle at 2 degrees angle of attack is investigated. The 1D eigenvalue computations showed that the most amplified disturbances occur around x(sub 2) = 90 degrees and the azimuthal mode number for the most amplified disturbances range between m = -30 to -40. The frequencies of the most amplified waves are smaller in the middle region where the crossflow dominates the instability than the most amplified frequencies near the windward and leeward planes. The 2D eigenvalue computations showed that due to the variations in the azimuthal direction, the eigenmodes are clustered into isolated confined regions. For some eigenvalues, the eigenfunctions are clustered in two regions. Due to the nonparallel effect in the azimuthal direction, the eigenmodes are clustered into isolated confined regions. For some eigenvalues, the eigenfunctions are clustered in two regions. Due to the nonparallel effect in the azimuthal direction, the most amplified disturbances are shifted to 120 degrees compared to 90 degrees for the parallel theory. It is also observed that the nonparallel amplification rates are smaller than that is obtained from the parallel theory.

Tapered-fiber-based refractive index sensor at an air/solution interface.

PubMed

Lu, Ping; Harris, Jeremie; Wang, Xiaozhen; Lin, Ganbin; Chen, Liang; Bao, Xiaoyi

2012-10-20

An approach to achieve refractive index sensing at an air and aqueous glycerol solution interface is proposed using a tapered-fiber-based microfiber Mach-Zehnder interferometer (MFMZI). Compared to a surrounding uniform medium of air or solutions, the spectral interference visibility of the MFMZI at the air/solution interface is significantly reduced due to a weak coupling between the fundamental cladding mode and high-order asymmetric cladding modes, which are extremely sensitive to the external refractive index. The MFMZI is experimentally demonstrated as an evanescent wave refractive index sensor to measure concentrations of glycerol solutions by monitoring average power attenuation of the tapered fiber.

Large-amplitude nonlinear normal modes of the discrete sine lattices.

PubMed

Smirnov, Valeri V; Manevitch, Leonid I

2017-02-01

We present an analytical description of the large-amplitude stationary oscillations of the finite discrete system of harmonically coupled pendulums without any restrictions on their amplitudes (excluding a vicinity of π). Although this model has numerous applications in different fields of physics, it was studied earlier in the infinite limit only. The discrete chain with a finite length can be considered as a well analytical analog of the coarse-grain models of flexible polymers in the molecular dynamics simulations. The developed approach allows to find the dispersion relations for arbitrary amplitudes of the nonlinear normal modes. We emphasize that the long-wavelength approximation, which is described by well-known sine-Gordon equation, leads to an inadequate zone structure for the amplitudes of about π/2 even if the chain is long enough. An extremely complex zone structure at the large amplitudes corresponds to multiple resonances between nonlinear normal modes even with strongly different wave numbers. Due to the complexity of the dispersion relations the modes with shorter wavelengths may have smaller frequencies. The stability of the nonlinear normal modes under condition of the resonant interaction are discussed. It is shown that this interaction of the modes in the vicinity of the long wavelength edge of the spectrum leads to the localization of the oscillations. The thresholds of instability and localization are determined explicitly. The numerical simulation of the dynamics of a finite-length chain is in a good agreement with obtained analytical predictions.

Simple immunoglobulin G sensor based on thin core single-mode fiber

NASA Astrophysics Data System (ADS)

Zheng, Yingfang; Lang, Tingting; Shen, Tingting; Shen, Changyu

2018-03-01

In this paper, a simple fiber biosensor (FOB) for immunoglobulin G (IgG) detection is designed and experimentally verified. The FOB is constructed by a 20 mm long thin core single-mode fiber (TCSMF) sandwiched between two single-mode optical fibers (SMFs). First, the refractive index (RI) sensitivity of the fiber structures is calculated by the beam propagation method. The refractive index sensing experiment is performed using different concentrations of glycerol solutions, and the experimental results are mostly consistent with the simulation predictions. The experimental RI sensitivity increases with the surrounding RI and reaches 82.7 nm/RIU. Then the surface of the FOB is functionalized by APTES for covalent bonding. The human IgG and goat anti-human IgG are chosen as a bioconjugated pair to examine the bio-sensing effectiveness of this FOB. The sensitivity of IgG detection is determined to be 10.4 nm/(mg/ml). And the serum IgG concentration in normal adults lies within the range of 6-16 mg/ml (Worsfold et al., 1985), so the sensor is applicable to human IgG monitoring. The specificity of the FOB is also verified by a contrast experiment conducted using rabbit immunoglobulin G. The proposed FOB is simple, low loss, cost-effective, and can be used for various biological and chemical applications.

Hydrodynamic impact of a system with a single elastic mode I : theory and generalized solution with an application to an elastic airframe

NASA Technical Reports Server (NTRS)

Mayo, Wilbur L

1952-01-01

Solutions of impact of a rigid prismatic float connected by a massless spring to a rigid upper mass are presented. The solutions are based on hydrodynamic theory which has been experimentally confirmed for a rigid structure. Equations are given for defining the spring constant and the ratio of the sprung mass to the lower mass so that the two-mass system provides representation of the fundamental mode of an airplane wing. The forces calculated are more accurate than the forces which would be predicted for a rigid airframe since the effect of the fundamental mode on the hydrodynamic force is taken into account. In a comparison of the theoretical data with data for a severe flight-test landing impact, the effect of the fundamental mode on the hydrodynamic force is considered and response data are compared with experimental data.

The Amount and Preferred Orientation of Simple-shear in a Deformation Tensor: Implications for Detecting Shear Zones and Faults with GPS

NASA Astrophysics Data System (ADS)

Johnson, A. M.; Griffiths, J. H.

2007-05-01

At the 2005 Fall Meeting of the American Geophysical Union, Griffiths and Johnson [2005] introduced a method of extracting from the deformation-gradient (and velocity-gradient) tensor the amount and preferred orientation of simple-shear associated with 2-D shear zones and faults. Noting the 2-D is important because the shear zones and faults in Griffiths and Johnson [2005] were assumed non-dilatant and infinitely long, ignoring the scissors- like action along strike associated with shear zones and faults of finite length. Because shear zones and faults can dilate (and contract) normal to their walls and can have a scissors-like action associated with twisting about an axis normal to their walls, the more general method of detecting simple-shear is introduced and called MODES "method of detecting simple-shear." MODES can thus extract from the deformation-gradient (and velocity- gradient) tensor the amount and preferred orientation of simple-shear associated with 3-D shear zones and faults near or far from the Earth's surface, providing improvements and extensions to existing analytical methods used in active tectonics studies, especially strain analysis and dislocation theory. The derivation of MODES is based on one definition and two assumptions: by definition, simple-shear deformation becomes localized in some way; by assumption, the twirl within the deformation-gradient (or the spin within the velocity-gradient) is due to a combination of simple-shear and twist, and coupled with the simple- shear and twist is a dilatation of the walls of shear zones and faults. The preferred orientation is thus the orientation of the plane containing the simple-shear and satisfying the mechanical and kinematical boundary conditions. Results from a MODES analysis are illustrated by means of a three-dimensional diagram, the cricket- ball, which is reminiscent of the seismologist's "beach ball." In this poster, we present the underlying theory of MODES and illustrate how it works by analyzing the three- dimensional displacements measured with the Global Positioning System across the 1999 Chi-Chi earthquake ground rupture in Taiwan. In contrast to the deformation zone in the upper several meters of the ground below the surface detected by Yu et al. [2001], MODES determines the orientation and direction of shift of a shear zone representing the earthquake fault within the upper several hundred or thousand meters of ground below the surface. Thus, one value of the MODES analysis in this case is to provide boundary conditions for dislocation solutions for the subsurface shape of the main rupture during the earthquake.

Quantum control of the normal modes of benzene with ultrafast laser pulses

NASA Astrophysics Data System (ADS)

Sauer, Petra; Dou, Yusheng; Torralva, Ben; Allen, Roland

2005-03-01

Remarkable innovations in laser technology have made it possible to create laser pulses with ultrashort durations (below 100 femtoseconds) and ultrahigh intensities (above 1 terawatt per cm^2). To understand the behavior of complex molecules and materials in this new regime of physics, chemistry, biology, and materials science requires innovative techniques which complement experiment and standard theory, and which can treat situations in which conventional approximations like the Born- Oppenheimer approximation, the Franck-Condon principle, and Fermi's golden rule are no longer valid. In this talk we describe a method that we are developing, semiclassical electron-radiation-ion dyanmics (SERID), which can be used to perform simulations of the coupled dynamics of electrons and nuclei in an intense radiation field. We have employed this technique in studying the normal modes of benzene, and the possibility of controlling these modes by optimizing the laser pulses that are applied to the molecule. Animations will be shown of particular normal modes, including the breathing and beating modes, illustrating their symmetries and other properties, and of the photodissociation of benzene when the laser pulse exceeds a threshold intensity.

The New Data Assimilation System at the Italian Air Force Weather Service: Design and Preliminary Results

DTIC Science & Technology

2002-09-01

weather conditions (1999 Christmas storm in Europe , January 2000 snow storm over the eastern coast of the US) can be attributed to the inaccuracies in...over the normal modes of a linearized version of the model equations. These 5 normal modes can be classified (at least for the extratropics ) based

Fluctuations and discrete particle noise in gyrokinetic simulation of drift waves

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Lee, W. W.

2007-03-01

The relevance of the gyrokinetic fluctuation-dissipation theorem (FDT) to thermal equilibrium and nonequilibrium states of the gyrokinetic plasma is explored, with particular focus being given to the contribution of weakly damped normal modes to the fluctuation spectrum. It is found that the fluctuation energy carried in the normal modes exhibits the proper scaling with particle count (as predicted by the FDT in thermal equilibrium) even in the presence of drift waves, which grow linearly and attain a nonlinearly saturated steady state. This favorable scaling is preserved, and the saturation amplitude of the drift wave unaffected, for parameter regimes in which the normal modes become strongly damped and introduce a broad spectrum of discreteness-induced background noise in frequency space.

Mode instability in one-dimensional anharmonic lattices: Variational equation approach

NASA Astrophysics Data System (ADS)

Yoshimura, K.

1999-03-01

The stability of normal mode oscillations has been studied in detail under the single-mode excitation condition for the Fermi-Pasta-Ulam-β lattice. Numerical experiments indicate that the mode stability depends strongly on k/N, where k is the wave number of the initially excited mode and N is the number of degrees of freedom in the system. It has been found that this feature does not change when N increases. We propose an average variational equation - approximate version of the variational equation - as a theoretical tool to facilitate a linear stability analysis. It is shown that this strong k/N dependence of the mode stability can be explained from the view point of the linear stability of the relevant orbits. We introduce a low-dimensional approximation of the average variational equation, which approximately describes the time evolution of variations in four normal mode amplitudes. The linear stability analysis based on this four-mode approximation demonstrates that the parametric instability mechanism plays a crucial role in the strong k/N dependence of the mode stability.

Solute mixing regulates heterogeneity of mineral precipitation in porous media: Effect of Solute Mixing on Precipitation

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

Cil, Mehmet B.; Xie, Minwei; Packman, Aaron I.

Synchrotron X-ray microtomography was used to track the spatiotemporal evolution of mineral precipitation and the consequent alteration of the pore structure. Column experiments were conducted by injecting CaCl2 and NaHCO3 solutions into granular porous media either as a premixed supersaturated solution (external mixing) or as separate solutions that mixed within the specimen (internal mixing). The two mixing modes produced distinct mineral growth patterns. While internal mixing promoted transverse heterogeneity with precipitation at the mixing zone, external mixing favored relatively homogeneous precipitation along the flow direction. The impact of precipitation on pore water flow and permeability was assessed via 3-D flowmore » simulations, which indicated anisotropic permeability evolution for both mixing modes. Under both mixing modes, precipitation decreased the median pore size and increased the skewness of the pore size distribution. Such similar pore-scale evolution patterns suggest that the clogging of individual pores depends primarily on local supersaturation state and pore geometry.« less

Compressed modes for variational problems in mathematics and physics.

PubMed

Ozolins, Vidvuds; Lai, Rongjie; Caflisch, Russel; Osher, Stanley

2013-11-12

This article describes a general formalism for obtaining spatially localized ("sparse") solutions to a class of problems in mathematical physics, which can be recast as variational optimization problems, such as the important case of Schrödinger's equation in quantum mechanics. Sparsity is achieved by adding an regularization term to the variational principle, which is shown to yield solutions with compact support ("compressed modes"). Linear combinations of these modes approximate the eigenvalue spectrum and eigenfunctions in a systematically improvable manner, and the localization properties of compressed modes make them an attractive choice for use with efficient numerical algorithms that scale linearly with the problem size.

Noise correction on LANDSAT images using a spline-like algorithm

NASA Technical Reports Server (NTRS)

Vijaykumar, N. L. (Principal Investigator); Dias, L. A. V.

1985-01-01

Many applications using LANDSAT images face a dilemma: the user needs a certain scene (for example, a flooded region), but that particular image may present interference or noise in form of horizontal stripes. During automatic analysis, this interference or noise may cause false readings of the region of interest. In order to minimize this interference or noise, many solutions are used, for instane, that of using the average (simple or weighted) values of the neighboring vertical points. In the case of high interference (more than one adjacent line lost) the method of averages may not suit the desired purpose. The solution proposed is to use a spline-like algorithm (weighted splines). This type of interpolation is simple to be computer implemented, fast, uses only four points in each interval, and eliminates the necessity of solving a linear equation system. In the normal mode of operation, the first and second derivatives of the solution function are continuous and determined by data points, as in cubic splines. It is possible, however, to impose the values of the first derivatives, in order to account for shapr boundaries, without increasing the computational effort. Some examples using the proposed method are also shown.

System for determining the angle of impact of an object on a structure

NASA Technical Reports Server (NTRS)

Prosser, William H. (Inventor); Gorman, Michael R. (Inventor)

1993-01-01

A method for determining the angle of impact of an object on a thin-walled structure which determines the angle of impact through analysis of the acoustic waves which result when an object impacts a structure is presented. Transducers are placed on and in the surface of the structure which sense the wave caused in the structure by impact. The waves are recorded and saved for analysis. For source motion normal to the surface, the antisymmetric mode has a large amplitude while that of the symmetric mode is very small. As the source angle increases with respect to the surface normal, the symmetric mode amplitude increases while the antisymmetric mode amplitude decreases. Thus, the angle of impact is determined by measuring the relative amplitudes of these two lowest order modes.

Linear perturbations of black holes: stability, quasi-normal modes and tails

NASA Astrophysics Data System (ADS)

Zhidenko, Alexander

2009-03-01

Black holes have their proper oscillations, which are called the quasi-normal modes. The proper oscillations of astrophysical black holes can be observed in the nearest future with the help of gravitational wave detectors. Quasi-normal modes are also very important in the context of testing of the stability of black objects, the anti-de Sitter/Conformal Field Theory (AdS/CFT) correspondence and in higher dimensional theories, such as the brane-world scenarios and string theory. This dissertation reviews a number of works, which provide a thorough study of the quasi-normal spectrum of a wide class of black holes in four and higher dimensions for fields of various spin and gravitational perturbations. We have studied numerically the dependance of the quasi-normal modes on a number of factors, such as the presence of the cosmological constant, the Gauss-Bonnet parameter or the aether in the space-time, the dependance of the spectrum on parameters of the black hole and fields under consideration. By the analysis of the quasi-normal spectrum, we have studied the stability of higher dimensional Reissner-Nordstrom-de Sitter black holes, Kaluza-Klein black holes with squashed horizons, Gauss-Bonnet black holes and black strings. Special attention is paid to the evolution of massive fields in the background of various black holes. We have considered their quasi-normal ringing and the late-time tails. In addition, we present two new numerical techniques: a generalisation of the Nollert improvement of the Frobenius method for higher dimensional problems and a qualitatively new method, which allows to calculate quasi-normal frequencies for black holes, which metrics are not known analytically.

Effect of perfusion of bile salts solutions into the oesophagus of hiatal hernia patients and controls.

PubMed Central

Bachir, G S; Collis, J L

1976-01-01

Tests of the response to perfusion of the oesophagus were made in 54 patients divided into three groups. Group I consisted of patients with symptomatic hiatal hernia, group II hiatal hernia patients with peptic stricture, and group III normal individuals. Each individual oesophagus was perfused at a rate of 45-65 drops per minute over 25 minutes with six solutions: normal saline, N/10 HCl, taurine conjugates of bile salts in normal saline, taurine conjugates of bile salts in N/10 HCl, glycine conjugates of bile salts in normal saline, and taurine and glycine conjugates in a ratio of 1 to 2 in normal saline. It was found that acidified taurine solutions were more irritating than acid alone. With a 2mM/l solution of taurine in acid, symptoms are produced even in controls. With a 1 mM/l solution of the same conjugates, the majority of normal people feel slight heartburn or nothing, and therefore perfusion into the oesophagus of such a solution could be used as a test for oesophagitis. PMID:941112

Relationships between nonlinear normal modes and response to random inputs

DOE PAGES

Schoneman, Joseph D.; Allen, Matthew S.; Kuether, Robert J.

2016-07-25

The ability to model nonlinear structures subject to random excitation is of key importance in designing hypersonic aircraft and other advanced aerospace vehicles. When a structure is linear, superposition can be used to construct its response to a known spectrum in terms of its linear modes. Superposition does not hold for a nonlinear system, but several works have shown that a system's dynamics can still be understood qualitatively in terms of its nonlinear normal modes (NNMs). Here, this work investigates the connection between a structure's undamped nonlinear normal modes and the spectrum of its response to high amplitude random forcing.more » Two examples are investigated: a spring-mass system and a clamped-clamped beam modeled within a geometrically nonlinear finite element package. In both cases, an intimate connection is observed between the smeared peaks in the response spectrum and the frequency-energy dependence of the nonlinear normal modes. In order to understand the role of coupling between the underlying linear modes, reduced order models with and without modal coupling terms are used to separate the effect of each NNM's backbone from the nonlinear couplings that give rise to internal resonances. In the cases shown here, uncoupled, single-degree-of-freedom nonlinear models are found to predict major features in the response with reasonable accuracy; a highly inexpensive approximation such as this could be useful in design and optimization studies. More importantly, the results show that a reduced order model can be expected to give accurate results only if it is also capable of accurately predicting the frequency-energy dependence of the nonlinear modes that are excited.« less

Numerical Solution of the Electron Transport Equation in the Upper Atmosphere

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

Woods, Mark Christopher; Holmes, Mark; Sailor, William C

A new approach for solving the electron transport equation in the upper atmosphere is derived. The problem is a very stiff boundary value problem, and to obtain an accurate numerical solution, matrix factorizations are used to decouple the fast and slow modes. A stable finite difference method is applied to each mode. This solver is applied to a simplifieed problem for which an exact solution exists using various versions of the boundary conditions that might arise in a natural auroral display. The numerical and exact solutions are found to agree with each other to at least two significant digits.

Computing the Dynamic Response of a Stratified Elastic Half Space Using Diffuse Field Theory

NASA Astrophysics Data System (ADS)

Sanchez-Sesma, F. J.; Perton, M.; Molina Villegas, J. C.

2015-12-01

The analytical solution for the dynamic response of an elastic half-space for a normal point load at the free surface is due to Lamb (1904). For a tangential force, we have Chaós (1960) formulae. For an arbitrary load at any depth within a stratified elastic half space, the resulting elastic field can be given in the same fashion, by using an integral representation in the radial wavenumber domain. Typically, computations use discrete wave number (DWN) formalism and Fourier analysis allows for solution in space and time domain. Experimentally, these elastic Greeńs functions might be retrieved from ambient vibrations correlations when assuming a diffuse field. In fact, the field could not be totally diffuse and only parts of the Green's functions, associated to surface or body waves, are retrieved. In this communication, we explore the computation of Green functions for a layered media on top of a half-space using a set of equipartitioned elastic plane waves. Our formalism includes body and surface waves (Rayleigh and Love waves). These latter waves correspond to the classical representations in terms of normal modes in the asymptotic case of large separation distance between source and receiver. This approach allows computing Green's functions faster than DWN and separating the surface and body wave contributions in order to better represent Green's function experimentally retrieved.

Electrospray Ionization-Induced Protein Unfolding

NASA Astrophysics Data System (ADS)

Lin, Hong; Kitova, Elena N.; Johnson, Margaret A.; Eugenio, Luiz; Ng, Kenneth K. S.; Klassen, John S.

2012-12-01

Electrospray ionization mass spectrometry (ESI-MS) measurements were performed under a variety of solution conditions on a highly acidic sub-fragment (B3C) of the C-terminal carbohydrate-binding repeat region of Clostridium difficile toxin B, and two mutants (B4A and B4B) containing fewer acidic residues. ESI-MS measurements performed in negative ion mode on aqueous ammonium acetate solutions of B3C at low ionic strength ( I < 80 mM) revealed evidence, based on the measured charge state distribution, of protein unfolding. In contrast, no evidence of unfolding was detected from ESI-MS measurements made in positive ion mode at low I or in either mode at higher I. The results of proton nuclear magnetic resonance and circular dichroism spectroscopy measurements and gel filtration chromatography performed on solutions of B3C under low and high I conditions suggest that the protein exists predominantly in a folded state in neutral aqueous solutions with I > 10 mM. The results of ESI-MS measurements performed on B3C in a series of solutions with high I at pH 5 to 9 rule out the possibility that the structural changes are related to ESI-induced changes in pH. It is proposed that unfolding of B3C, observed in negative mode for solutions with low I, occurs during the ESI process and arises due to Coulombic repulsion between the negatively charged residues and liquid/droplet surface charge. ESI-MS measurements performed in negative ion mode on B4A and B4B also reveal a shift to higher charge states at low I but the magnitude of the changes are smaller than observed for B3C.

Bifurcations in the theory of current transfer to cathodes of DC discharges and observations of transitions between different modes

NASA Astrophysics Data System (ADS)

Bieniek, M. S.; Santos, D. F. N.; Almeida, P. G. C.; Benilov, M. S.

2018-04-01

General scenarios of transitions between different spot patterns on electrodes of DC gas discharges and their relation to bifurcations of steady-state solutions are analyzed. In the case of cathodes of arc discharges, it is shown that any transition between different modes of current transfer is related to a bifurcation of steady-state solutions. In particular, transitions between diffuse and spot modes on axially symmetric cathodes, frequently observed in the experiment, represent an indication of the presence of pitchfork or fold bifurcations of steady-state solutions. Experimental observations of transitions on cathodes of DC glow microdischarges are analyzed and those potentially related to bifurcations of steady-state solutions are identified. The relevant bifurcations are investigated numerically and the computed patterns are found to conform to those observed in the course of the corresponding transitions in the experiment.

Mathematical Methods for Physics and Engineering Third Edition Paperback Set

NASA Astrophysics Data System (ADS)

Riley, Ken F.; Hobson, Mike P.; Bence, Stephen J.

2006-06-01

Prefaces; 1. Preliminary algebra; 2. Preliminary calculus; 3. Complex numbers and hyperbolic functions; 4. Series and limits; 5. Partial differentiation; 6. Multiple integrals; 7. Vector algebra; 8. Matrices and vector spaces; 9. Normal modes; 10. Vector calculus; 11. Line, surface and volume integrals; 12. Fourier series; 13. Integral transforms; 14. First-order ordinary differential equations; 15. Higher-order ordinary differential equations; 16. Series solutions of ordinary differential equations; 17. Eigenfunction methods for differential equations; 18. Special functions; 19. Quantum operators; 20. Partial differential equations: general and particular; 21. Partial differential equations: separation of variables; 22. Calculus of variations; 23. Integral equations; 24. Complex variables; 25. Application of complex variables; 26. Tensors; 27. Numerical methods; 28. Group theory; 29. Representation theory; 30. Probability; 31. Statistics; Index.

Normal modes and mode transformation of pure electron vortex beams

PubMed Central

Thirunavukkarasu, G.; Mousley, M.; Babiker, M.

2017-01-01

Electron vortex beams constitute the first class of matter vortex beams which are currently routinely produced in the laboratory. Here, we briefly review the progress of this nascent field and put forward a natural quantum basis set which we show is suitable for the description of electron vortex beams. The normal modes are truncated Bessel beams (TBBs) defined in the aperture plane or the Fourier transform of the transverse structure of the TBBs (FT-TBBs) in the focal plane of a lens with the said aperture. As these modes are eigenfunctions of the axial orbital angular momentum operator, they can provide a complete description of the two-dimensional transverse distribution of the wave function of any electron vortex beam in such a system, in analogy with the prominent role Laguerre–Gaussian (LG) beams played in the description of optical vortex beams. The characteristics of the normal modes of TBBs and FT-TBBs are described, including the quantized orbital angular momentum (in terms of the winding number l) and the radial index p>0. We present the experimental realization of such beams using computer-generated holograms. The mode analysis can be carried out using astigmatic transformation optics, demonstrating close analogy with the astigmatic mode transformation between LG and Hermite–Gaussian beams. This article is part of the themed issue ‘Optical orbital angular momentum’. PMID:28069769

Normal modes and mode transformation of pure electron vortex beams.

PubMed

Thirunavukkarasu, G; Mousley, M; Babiker, M; Yuan, J

2017-02-28

Electron vortex beams constitute the first class of matter vortex beams which are currently routinely produced in the laboratory. Here, we briefly review the progress of this nascent field and put forward a natural quantum basis set which we show is suitable for the description of electron vortex beams. The normal modes are truncated Bessel beams (TBBs) defined in the aperture plane or the Fourier transform of the transverse structure of the TBBs (FT-TBBs) in the focal plane of a lens with the said aperture. As these modes are eigenfunctions of the axial orbital angular momentum operator, they can provide a complete description of the two-dimensional transverse distribution of the wave function of any electron vortex beam in such a system, in analogy with the prominent role Laguerre-Gaussian (LG) beams played in the description of optical vortex beams. The characteristics of the normal modes of TBBs and FT-TBBs are described, including the quantized orbital angular momentum (in terms of the winding number l) and the radial index p>0. We present the experimental realization of such beams using computer-generated holograms. The mode analysis can be carried out using astigmatic transformation optics, demonstrating close analogy with the astigmatic mode transformation between LG and Hermite-Gaussian beams.This article is part of the themed issue 'Optical orbital angular momentum'. © 2017 The Author(s).

A phylogenetic analysis of normal modes evolution in enzymes and its relationship to enzyme function

PubMed Central

Lai, Jason; Jin, Jing; Kubelka, Jan; Liberles, David A.

2012-01-01

Since the dynamic nature of protein structures is essential for enzymatic function, it is expected that the functional evolution can be inferred from the changes in the protein dynamics. However, dynamics can also diverge neutrally with sequence substitution between enzymes without changes of function. In this study, a phylogenetic approach is implemented to explore the relationship between enzyme dynamics and function through evolutionary history. Protein dynamics are described by normal mode analysis based on a simplified harmonic potential force field applied to the reduced Cα representation of the protein structure while enzymatic function is described by Enzyme Commission (EC) numbers. Similarity of the binding pocket dynamics at each branch of the protein family’s phylogeny was analyzed in two ways: 1) explicitly by quantifying the normal mode overlap calculated for the reconstructed ancestral proteins at each end and 2) implicitly using a diffusion model to obtain the reconstructed lineage-specific changes in the normal modes. Both explicit and implicit ancestral reconstruction identified generally faster rates of change in dynamics compared with the expected change from neutral evolution at the branches of potential functional divergences for the alpha-amylase, D-isomer specific 2-hydroxyacid dehydrogenase, and copper-containing amine oxidase protein families. Normal modes analysis added additional information over just comparing the RMSD of static structures. However, the branch-specific changes were not statistically significant compared to background function-independent neutral rates of change of dynamic properties and blind application of the analysis would not enable prediction of changes in enzyme specificity. PMID:22651983

A phylogenetic analysis of normal modes evolution in enzymes and its relationship to enzyme function.

PubMed

Lai, Jason; Jin, Jing; Kubelka, Jan; Liberles, David A

2012-09-21

Since the dynamic nature of protein structures is essential for enzymatic function, it is expected that functional evolution can be inferred from the changes in protein dynamics. However, dynamics can also diverge neutrally with sequence substitution between enzymes without changes of function. In this study, a phylogenetic approach is implemented to explore the relationship between enzyme dynamics and function through evolutionary history. Protein dynamics are described by normal mode analysis based on a simplified harmonic potential force field applied to the reduced C(α) representation of the protein structure while enzymatic function is described by Enzyme Commission numbers. Similarity of the binding pocket dynamics at each branch of the protein family's phylogeny was analyzed in two ways: (1) explicitly by quantifying the normal mode overlap calculated for the reconstructed ancestral proteins at each end and (2) implicitly using a diffusion model to obtain the reconstructed lineage-specific changes in the normal modes. Both explicit and implicit ancestral reconstruction identified generally faster rates of change in dynamics compared with the expected change from neutral evolution at the branches of potential functional divergences for the α-amylase, D-isomer-specific 2-hydroxyacid dehydrogenase, and copper-containing amine oxidase protein families. Normal mode analysis added additional information over just comparing the RMSD of static structures. However, the branch-specific changes were not statistically significant compared to background function-independent neutral rates of change of dynamic properties and blind application of the analysis would not enable prediction of changes in enzyme specificity. Copyright © 2012 Elsevier Ltd. All rights reserved.

The Properties of the Massive Star-forming Galaxies with an Outside-in Assembly Mode

NASA Astrophysics Data System (ADS)

Wang, Enci; Kong, Xu; Wang, Huiyuan; Wang, Lixin; Lin, Lin; Gao, Yulong; Liu, Qing

2017-08-01

Previous findings show that massive ({M}* > {10}10 {M}⊙ ) star-forming (SF) galaxies usually have an “inside-out” stellar mass assembly mode. In this paper, we have for the first time selected a sample of 77 massive SF galaxies with an “outside-in” assembly mode (called the “targeted sample”) from the Mapping Nearby Galaxies at the Apache Point Observatory (MaNGA) survey. For comparison, two control samples are constructed from the MaNGA sample matched in stellar mass: a sample of 154 normal SF galaxies and a sample of 62 quiescent galaxies. In contrast to normal SF galaxies, the targeted galaxies appear to be smoother and more bulge-dominated and have a smaller size and higher concentration, star formation rate, and gas-phase metallicity as a whole. However, they have a larger size and lower concentration than quiescent galaxies. Unlike the normal SF sample, the targeted sample exhibits a slightly positive gradient of the 4000 Å break and a pronounced negative gradient of Hα equivalent width. Furthermore, the median surface mass density profile is between those of the normal SF and quiescent samples, indicating that the gas accretion of quiescent galaxies is not likely to be the main approach for the outside-in assembly mode. Our results suggest that the targeted galaxies are likely in the transitional phase from normal SF galaxies to quiescent galaxies, with rapid ongoing central stellar mass assembly (or bulge growth). We discuss several possible formation mechanisms for the outside-in mass assembly mode.

Comparison of the quantitative analysis performance between pulsed voltage atom probe and pulsed laser atom probe.

PubMed

Takahashi, J; Kawakami, K; Raabe, D

2017-04-01

The difference in quantitative analysis performance between the voltage-mode and laser-mode of a local electrode atom probe (LEAP3000X HR) was investigated using a Fe-Cu binary model alloy. Solute copper atoms in ferritic iron preferentially field evaporate because of their significantly lower evaporation field than the matrix iron, and thus, the apparent concentration of solute copper tends to be lower than the actual concentration. However, in voltage-mode, the apparent concentration was higher than the actual concentration at 40K or less due to a detection loss of matrix iron, and the concentration decreased with increasing specimen temperature due to the preferential evaporation of solute copper. On the other hand, in laser-mode, the apparent concentration never exceeded the actual concentration, even at lower temperatures (20K), and this mode showed better quantitative performance over a wide range of specimen temperatures. These results indicate that the pulsed laser atom probe prevents both detection loss and preferential evaporation under a wide range of measurement conditions. Copyright © 2017 Elsevier B.V. All rights reserved.

Stochasticity in numerical solutions of the nonlinear Schroedinger equation

NASA Technical Reports Server (NTRS)

Shen, Mei-Mei; Nicholson, D. R.

1987-01-01

The cubically nonlinear Schroedinger equation is an important model of nonlinear phenomena in fluids and plasmas. Numerical solutions in a spatially periodic system commonly involve truncation to a finite number of Fourier modes. These solutions are found to be stochastic in the sense that the largest Liapunov exponent is positive. As the number of modes is increased, the size of this exponent appears to converge to zero, in agreement with the recent demonstration of the integrability of the spatially periodic case.

Multibody dynamics: Modeling component flexibility with fixed, free, loaded, constraint, and residual modes

NASA Technical Reports Server (NTRS)

Spanos, John T.; Tsuha, Walter S.

1989-01-01

The assumed-modes method in multibody dynamics allows the elastic deformation of each component in the system to be approximated by a sum of products of spatial and temporal functions commonly known as modes and modal coordinates respectively. The choice of component modes used to model articulating and non-articulating flexible multibody systems is examined. Attention is directed toward three classical Component Mode Synthesis (CMS) methods whereby component normal modes are generated by treating the component interface (I/F) as either fixed, free, or loaded with mass and stiffness contributions from the remaining components. The fixed and free I/F normal modes are augmented by static shape functions termed constraint and residual modes respectively. A mode selection procedure is outlined whereby component modes are selected from the Craig-Bampton (fixed I/F plus constraint), MacNeal-Rubin (free I/F plus residual), or Benfield-Hruda (loaded I/F) mode sets in accordance with a modal ordering scheme derived from balance realization theory. The success of the approach is judged by comparing the actuator-to-sensor frequency response of the reduced order system with that of the full order system over the frequency range of interest. A finite element model of the Galileo spacecraft serves as an example in demonstrating the effectiveness of the proposed mode selection method.

Superoxide dismutase activity of Cu-bound prion protein

NASA Astrophysics Data System (ADS)

Hodak, Miroslav; Lu, Wenchang; Bernholc, Jerry

2009-03-01

Misfolding of the prion protein, PrP, has been linked to a group of neurodegenerative diseases, including the mad cow disease in cattle and the Creutzfeldt-Jakob disease in humans. The normal function of PrP is still unknown, but it was found that the PrP can efficiently bind Cu(II) ions. Early experiments suggested that Cu-PrP complex possesses significant superoxide dismutase (SOD) activity, but later experiments failed to confirm it and at present this issue remains unresolved. Using a recently developed hybrid DFT/DFT method, which combines Kohn-Sham DFT for the solute and its first solvation shells with orbital-free DFT for the remainder of the solvent, we have investigated SOD activity of PrP. The PrP is capable of incorporating Cu(II) ions in several binding modes and our calculations find that each mode has a different SOD activity. The highest activity found is comparable to those of well-known SOD proteins, suggesting that the conflicting experimental results may be due to different bindings of Cu(II) in those experiments.

Unsupported platinum nanoparticles as effective sensors of neurotransmitters and possible drug curriers

NASA Astrophysics Data System (ADS)

Tąta, Agnieszka; Gralec, Barbara; Proniewicz, Edyta

2018-03-01

Herein, surface-enhanced Raman scattering (SERS) activity of positively charged unsupported platinum nanoparticles (PtNPs) with ∼12 nm size and narrow size distribution, in an aqueous solution, towards neurotransmitters was monitored at 785 nm excitation wavelength. The pure PtNPs were synthetized by polyol method. Their morphology and structure were checked by scanning electron microscopy (SEM) and X-ray diffraction spectroscopy (XRD) measurements. As a neurotransmitter bombesin (BN), which exhibits autocrine effect on the growth of normal and tumour tissues, and its fragments from the C-terminal end: BN13-14, BN12-14, BN11-14, BN10-14, BN9-14, and BN8-14 (X-14 fragments of the BN amino acid sequence) were chosen. The collected spectra were interpreted and discussed. This is to determine the adsorption mode of bombesin onto the PtNPs surface and changes in this mode as a result of the bombesin backbone shortening from the N-terminal end. This is important from the point of using PtNPs as potential BN carrier into the cancerous tissue and antitumor drug.

Electrocardiogram signal denoising based on empirical mode decomposition technique: an overview

NASA Astrophysics Data System (ADS)

Han, G.; Lin, B.; Xu, Z.

2017-03-01

Electrocardiogram (ECG) signal is nonlinear and non-stationary weak signal which reflects whether the heart is functioning normally or abnormally. ECG signal is susceptible to various kinds of noises such as high/low frequency noises, powerline interference and baseline wander. Hence, the removal of noises from ECG signal becomes a vital link in the ECG signal processing and plays a significant role in the detection and diagnosis of heart diseases. The review will describe the recent developments of ECG signal denoising based on Empirical Mode Decomposition (EMD) technique including high frequency noise removal, powerline interference separation, baseline wander correction, the combining of EMD and Other Methods, EEMD technique. EMD technique is a quite potential and prospective but not perfect method in the application of processing nonlinear and non-stationary signal like ECG signal. The EMD combined with other algorithms is a good solution to improve the performance of noise cancellation. The pros and cons of EMD technique in ECG signal denoising are discussed in detail. Finally, the future work and challenges in ECG signal denoising based on EMD technique are clarified.

33 CFR 162.138 - Connecting waters from Lake Huron to Lake Erie; speed rules.

Code of Federal Regulations, 2010 CFR

2010-07-01

... vessels in normal displacement mode. (1) Except when required for the safety of the vessel or any other vessel, vessels of 20 meters or more in length operating in normal displacement mode shall proceed at a... than displacement of its weight in the water, to an extent such that the wake which would otherwise be...

33 CFR 162.138 - Connecting waters from Lake Huron to Lake Erie; speed rules.

Code of Federal Regulations, 2011 CFR

2011-07-01

... vessels in normal displacement mode. (1) Except when required for the safety of the vessel or any other vessel, vessels of 20 meters or more in length operating in normal displacement mode shall proceed at a... than displacement of its weight in the water, to an extent such that the wake which would otherwise be...

On new non-modal hydrodynamic stability modes and resulting non-exponential growth rates - a Lie symmetry approach

NASA Astrophysics Data System (ADS)

Oberlack, Martin; Nold, Andreas; Sanjon, Cedric Wilfried; Wang, Yongqi; Hau, Jan

2016-11-01

Classical hydrodynamic stability theory for laminar shear flows, no matter if considering long-term stability or transient growth, is based on the normal-mode ansatz, or, in other words, on an exponential function in space (stream-wise direction) and time. Recently, it became clear that the normal mode ansatz and the resulting Orr-Sommerfeld equation is based on essentially three fundamental symmetries of the linearized Euler and Navier-Stokes equations: translation in space and time and scaling of the dependent variable. Further, Kelvin-mode of linear shear flows seemed to be an exception in this context as it admits a fourth symmetry resulting in the classical Kelvin mode which is rather different from normal-mode. However, very recently it was discovered that most of the classical canonical shear flows such as linear shear, Couette, plane and round Poiseuille, Taylor-Couette, Lamb-Ossen vortex or asymptotic suction boundary layer admit more symmetries. This, in turn, led to new problem specific non-modal ansatz functions. In contrast to the exponential growth rate in time of the modal-ansatz, the new non-modal ansatz functions usually lead to an algebraic growth or decay rate, while for the asymptotic suction boundary layer a double-exponential growth or decay is observed.

Normal mode analysis on the relaxation of an excited nitromethane molecule in argon bath

NASA Astrophysics Data System (ADS)

Rivera-Rivera, Luis; Wagner, Albert

In our previous work [J. Chem. Phys. 142, 014303 (2015)] classical molecular dynamics simulations followed in an Ar bath the relaxation of nitromethane (CH3NO2) instantaneously excited by statistically distributing 50 kcal/mol among all its internal degrees of freedom. The 300 K Ar bath was at pressures of 10 to 400 atm, a range spanning the breakdown of the isolated binary collision approximation. Both rotational and vibrational energies exhibit multi-exponential decay. This study explores mode-specific mechanisms at work in the decay process. With the separation of rotation and vibration developed by Rhee and Kim [J. Chem. Phys. 107, 1394 (1997)], one can show that the vibrational kinetic energy decomposes only into vibrational normal modes while the rotational and Coriolis energies decompose into both vibrational and rotational normal modes. Then the saved CH3NO2 positions and momenta can be converted into mode-specific energies whose decay over 1000 ps can be monitored. The results identify vibrational and rotational modes that promote/resist energy lost and drive multi-exponential behavior. Increasing pressure can be shown to increasingly interfere with post-collision IVR. The work was supported by the U.S. Department of Energy, Office of Science, Chemical Sciences, Geosciences, and Biosciences Division.

Local vibrational modes of the formic acid dimer - the strength of the double hydrogen bond

NASA Astrophysics Data System (ADS)

Kalescky, R.; Kraka, E.; Cremer, D.

2013-07-01

The 24 normal and 24 local vibrational modes of the formic acid dimer formed by two trans formic acid monomers to a ring (TT1) are analysed utilising preferentially experimental frequencies, but also CCSD(T)/CBS and ωB97X-D harmonic vibrational frequencies. The local hydrogen bond (HB) stretching frequencies are at 676 cm-1 and by this 482 and 412 cm-1 higher compared to the measured symmetric and asymmetric HB stretching frequencies at 264 and 194 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to the topology of dimer TT1, mass coupling, and avoided crossings involving the HṡṡṡOC bending modes. The HB local mode stretching force constant is related to the strength of the HB whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the HB strength. The HB in TT1 is stabilised by electron delocalisation in the O=C-O units fostered by forming a ring via double HBs. This implies that the CO apart from the OH local stretching frequencies reflect the strength of the HB via their red or blue shifts relative to their corresponding values in trans formic acid.

Unique Properties and Prospects: Quantum Theory of the Orbital Angular Momentum of Ince-Gauss Beams

NASA Astrophysics Data System (ADS)

Plick, William; Krenn, Mario; Fickler, Robert; Ramelow, Sven; Zeilinger, Anton

2012-02-01

The Ince-Gauss modes represent a new addition to the standard solutions to the paraxial wave equation. Parametrized by the ellipticity of the beam, they span the solution space between the Hermite-Gauss and the Laguerre-Gauss modes. These beams may be decomposed in either basis, and single photons in the Ince-Gauss modes exist naturally as superpositions of either Laguerre-Gauss or Hermite-Gauss modes. We present the fully quantum theory of the orbital angular momentum of these beams. Interesting features that arise are: stable beams with fractional orbital angular momentum, non-monotonic behavior of the OAM with respect to ellipticity, and the possibility of orthogonal modes possessing the same OAM. We believe that these modes may open up a fully new parameter space for quantum informatics and communication, and thus are worthy of thorough study.

A nonlinear investigation of the stationary modes of instability of the three-dimensional compressible boundary layer due to a rotating disc

NASA Technical Reports Server (NTRS)

Seddougui, Sharon O.

1989-01-01

The effects of compressibility on a stationary mode of instability of the 3-D boundary layer due to a rotating disc are investigated. The aim is to determine whether this mode will be important in the finite amplitude destabilization of the boundary layer. This stationary mode is characterized by the effective velocity profile having zero shear stress at the wall. Triple-deck solutions are presented for an adiabatic wall and an isothermal wall. It is found that this stationary mode is only possible over a finite range of Mach numbers. Asymptotic solutions are obtained which describe the structure of the wavenumber and the orientation of these modes as functions of the local Mach number. The effects of nonlinearity are investigated allowing the finite amplitude growth of a disturbance close to the neutral location to be described.

Characterization of crack growth under combined loading

NASA Technical Reports Server (NTRS)

Feldman, A.; Smith, F. W.; Holston, A., Jr.

1977-01-01

Room-temperature static and cyclic tests were made on 21 aluminum plates in the shape of a 91.4x91.4-cm Maltese cross with 45 deg flaws to develop crack growth and fracture toughness data under mixed-mode conditions. During cyclic testing, it was impossible to maintain a high proportion of shear-mode deformation on the crack tips. Cracks either branched or turned. Under static loading, cracks remained straight if shear stress intensity exceeded normal stress intensity. Mixed-mode crack growth rate data compared reasonably well with published single-mode data, and measured crack displacements agreed with the straight and branched crack analyses. Values of critical strain energy release rate at fracture for pure shear were approximately 50% higher than for pure normal opening, and there was a large reduction in normal stress intensity at fracture in the presence of high shear stress intensity. Net section stresses were well into the inelastic range when fracture occurred under high shear on the cracks.

Relativistic stellar stability - Preferred-frame effects

NASA Technical Reports Server (NTRS)

Ni, W.-T.

1974-01-01

In a previous paper, the PPN (parametrized post-Newtonian) formalism was used to analyze relativistic influences on stellar stability in nearly all metric theories of gravity. That analysis omitted all preferred-frame terms. In this paper, possible preferred-frame effects on stellar stability are examined and no new instabilities are found. Although terms linear in the preferred-frame velocity w (time-odd terms, analogous to viscosity and energy generation) change the shapes of the normal modes, their symmetry properties prevent them from changing the characteristic frequencies. Thus, no new vibrational or secular instabilities can occur. Terms quadratic in w do not change either the shapes of the normal modes or the characteristic frequencies for radial pulsations (except for the effects due to the renormalization of the gravitation constant which does not affect stability). Thus, they have no influence on radial stability. Terms quadratic in w do change both the normal modes and the characteristic frequencies of nonradial pulsations; but in the limit of a neutral mode these changes vanish.

Black phosphorus as a saturable absorber for generating mode-locked fiber laser in normal dispersion regime

NASA Astrophysics Data System (ADS)

Latiff, A. A.; Rusdi, M. F. M.; Hisyam, M. B.; Ahmad, H.; Harun, S. W.

2016-11-01

This paper reports a few-layer black phosphorus (BP) as a saturable absorber (SA) or phase-locker in generating modelocked pulses from a double-clad ytterbium-doped fiber laser (YDFL). We mechanically exfoliated the BP flakes from BP crystal through a scotch tape, and repeatedly press until the flakes thin and spread homogenously. Then, a piece of BP tape was inserted in the cavity between two fiber connectors end facet. Under 810 mW to 1320 mW pump power, stable mode-locked operation at 1085 nm with a repetition rate of 13.4 MHz is successfully achieved in normal dispersion regime. Before mode-locked operation disappears above maximum pump, the output power and pulse energy is about 80 mW and 6 nJ, respectively. This mode-locked laser produces peak power of 0.74 kW. Our work may validates BP SA as a phase-locker related to two-dimensional nanomaterials and pulsed generation in normal dispersion regime.

A new fourth-order Fourier-Bessel split-step method for the extended nonlinear Schroedinger equation

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

Nash, Patrick L.

2008-01-10

Fourier split-step techniques are often used to compute soliton-like numerical solutions of the nonlinear Schroedinger equation. Here, a new fourth-order implementation of the Fourier split-step algorithm is described for problems possessing azimuthal symmetry in 3 + 1-dimensions. This implementation is based, in part, on a finite difference approximation {delta}{sub perpendicular} {sup FDA} of 1/r ({partial_derivative})/({partial_derivative}r) r({partial_derivative})/({partial_derivative}r) that possesses an associated exact unitary representation of e{sup i/2{lambda}}{sup {delta}{sub perpendicular}{sup FDA}}. The matrix elements of this unitary matrix are given by special functions known as the associated Bessel functions. Hence the attribute Fourier-Bessel for the method. The Fourier-Bessel algorithm is shown tomore » be unitary and unconditionally stable. The Fourier-Bessel algorithm is employed to simulate the propagation of a periodic series of short laser pulses through a nonlinear medium. This numerical simulation calculates waveform intensity profiles in a sequence of planes that are transverse to the general propagation direction, and labeled by the cylindrical coordinate z. These profiles exhibit a series of isolated pulses that are offset from the time origin by characteristic times, and provide evidence for a physical effect that may be loosely termed normal mode condensation. Normal mode condensation is consistent with experimentally observed pulse filamentation into a packet of short bursts, which may occur as a result of short, intense irradiation of a medium.« less

The Renormalization Group and Its Applications to Generating Coarse-Grained Models of Large Biological Molecular Systems.

PubMed

Koehl, Patrice; Poitevin, Frédéric; Navaza, Rafael; Delarue, Marc

2017-03-14

Understanding the dynamics of biomolecules is the key to understanding their biological activities. Computational methods ranging from all-atom molecular dynamics simulations to coarse-grained normal-mode analyses based on simplified elastic networks provide a general framework to studying these dynamics. Despite recent successes in studying very large systems with up to a 100,000,000 atoms, those methods are currently limited to studying small- to medium-sized molecular systems due to computational limitations. One solution to circumvent these limitations is to reduce the size of the system under study. In this paper, we argue that coarse-graining, the standard approach to such size reduction, must define a hierarchy of models of decreasing sizes that are consistent with each other, i.e., that each model contains the information of the dynamics of its predecessor. We propose a new method, Decimate, for generating such a hierarchy within the context of elastic networks for normal-mode analysis. This method is based on the concept of the renormalization group developed in statistical physics. We highlight the details of its implementation, with a special focus on its scalability to large systems of up to millions of atoms. We illustrate its application on two large systems, the capsid of a virus and the ribosome translation complex. We show that highly decimated representations of those systems, containing down to 1% of their original number of atoms, still capture qualitatively and quantitatively their dynamics. Decimate is available as an OpenSource resource.

Simulation of the oscillation regimes of bowed bars: a non-linear modal approach

NASA Astrophysics Data System (ADS)

Inácio, Octávio; Henrique, Luís.; Antunes, José

2003-06-01

It is still a challenge to properly simulate the complex stick-slip behavior of multi-degree-of-freedom systems. In the present paper we investigate the self-excited non-linear responses of bowed bars, using a time-domain modal approach, coupled with an explicit model for the frictional forces, which is able to emulate stick-slip behavior. This computational approach can provide very detailed simulations and is well suited to deal with systems presenting a dispersive behavior. The effects of the bar supporting fixture are included in the model, as well as a velocity-dependent friction coefficient. We present the results of numerical simulations, for representative ranges of the bowing velocity and normal force. Computations have been performed for constant-section aluminum bars, as well as for real vibraphone bars, which display a central undercutting, intended to help tuning the first modes. Our results show limiting values for the normal force FN and bowing velocity ẏbow for which the "musical" self-sustained solutions exist. Beyond this "playability space", double period and even chaotic regimes were found for specific ranges of the input parameters FN and ẏbow. As also displayed by bowed strings, the vibration amplitudes of bowed bars also increase with the bow velocity. However, in contrast to string instruments, bowed bars "slip" during most of the motion cycle. Another important difference is that, in bowed bars, the self-excited motions are dominated by the system's first mode. Our numerical results are qualitatively supported by preliminary experimental results.

Transverse discrete breathers in unstrained graphene

NASA Astrophysics Data System (ADS)

Barani, Elham; Lobzenko, Ivan P.; Korznikova, Elena A.; Soboleva, Elvira G.; Dmitriev, Sergey V.; Zhou, Kun; Marjaneh, Aliakbar Moradi

2017-02-01

Discrete breathers (DB) are spatially localized vibrational modes of large amplitude in defect-free nonlinear lattices. The search for DBs in graphene is of high importance, taking into account that this one atom thick layer of carbon is promising for a number of applications. There exist several reports on successful excitation of DBs in graphene, based on molecular dynamics and ab initio simulations. In a recent work by Hizhnyakov with co-authors the possibility to excite a DB with atoms oscillating normal to the graphene sheet has been reported. In the present study we use a systematic approach for finding initial conditions to excite transverse DBs in graphene. The approach is based on the analysis of the frequency-amplitude dependence for a delocalized, short-wavelength vibrational mode. This mode is a symmetry-dictated exact solution to the dynamic equations of the atomic motion, regardless the mode amplitude and regardless the type of interatomic potentials used in the simulations. It is demonstrated that if the AIREBO potential is used, the mode frequency increases with the amplitude bifurcating from the upper edge of the phonon spectrum for out-of-plane phonons. Then a bell-shaped function is superimposed on this delocalized mode to obtain a spatially localized vibrational mode, i.e., a DB. Placing the center of the bell-shaped function at different positions with respect to the lattice sites, three different DBs are found. Typically, the degree of spatial localization of DBs increases with the DB amplitude, but the transverse DBs in graphene reported here demonstrate the opposite trend. The results are compared to those obtained with the use of the Savin interatomic potential and no transverse DBs are found in this case. The results of this study contribute to a better understanding of the nonlinear dynamics of graphene and they call for the ab initio simulations to verify which of the two potentials used in this study is more precise.

Observations of the azimuthal dependence of normal mode coupling below 4 mHz at the South Pole and its nearby stations: Insights into the anisotropy beneath the Transantarctic Mountains

NASA Astrophysics Data System (ADS)

Hu, Xiao Gang

2016-08-01

Normal mode coupling pair 0S26-0T26 and 0S27-0T27 are significantly present at the South Pole station QSPA after the 2011/03/11 Mw9.1 Tohoku earthquake. In an attempt to determine the mechanisms responsible for the coupling pairs, I first investigate mode observations at 43 stations distributed along the polar great-circle path for the earthquake and observations at 32 Antarctic stations. I rule out the effect of Earth's rotation as well as the effect of global large-scale lateral heterogeneity, but argue instead for the effect of small-scale local azimuthal anisotropy in a depth extent about 300 km. The presence of quasi-Love waveform in 2-5 mHz at QSPA and its nearby stations confirms the predication. Secondly, I analyze normal mode observations at the South Pole location after 28 large earthquakes from 1998 to 2015. The result indicates that the presence of the mode coupling is azimuthal dependent, which is related to event azimuths in -46° to -18°. I also make a comparison between the shear-wave splitting measurements of previous studies and the mode coupling observations of this study, suggesting that their difference can be explained by a case that the anisotropy responsible for the mode coupling is not just below the South Pole location but located below region close to the Transantarctic Mountains (TAM). Furthermore, more signals of local azimuthal anisotropy in normal-mode observations at QSPA and SBA, such as coupling of 0S12-0T11 and vertical polarization anomaly for 0T10, confirms the existence of deep anisotropy close to TAM, which may be caused by asthenospheric mantle flow and edge convection around cratonic keel of TAM.

Dual-mode ultraflow access networks: a hybrid solution for the access bottleneck

NASA Astrophysics Data System (ADS)

Kazovsky, Leonid G.; Shen, Thomas Shunrong; Dhaini, Ahmad R.; Yin, Shuang; De Leenheer, Marc; Detwiler, Benjamin A.

2013-12-01

Optical Flow Switching (OFS) is a promising solution for large Internet data transfers. In this paper, we introduce UltraFlow Access, a novel optical access network architecture that offers dual-mode service to its end-users: IP and OFS. With UltraFlow Access, we design and implement a new dual-mode control plane and a new dual-mode network stack to ensure efficient connection setup and reliable and optimal data transmission. We study the impact of the UltraFlow system's design on the network throughput. Our experimental results show that with an optimized system design, near optimal (around 10 Gb/s) OFS data throughput can be attained when the line rate is 10Gb/s.

Second-order sliding mode control for DFIG-based wind turbines fault ride-through capability enhancement.

PubMed

Benbouzid, Mohamed; Beltran, Brice; Amirat, Yassine; Yao, Gang; Han, Jingang; Mangel, Hervé

2014-05-01

This paper deals with the fault ride-through capability assessment of a doubly fed induction generator-based wind turbine using a high-order sliding mode control. Indeed, it has been recently suggested that sliding mode control is a solution of choice to the fault ride-through problem. In this context, this paper proposes a second-order sliding mode as an improved solution that handle the classical sliding mode chattering problem. Indeed, the main and attractive features of high-order sliding modes are robustness against external disturbances, the grids faults in particular, and chattering-free behavior (no extra mechanical stress on the wind turbine drive train). Simulations using the NREL FAST code on a 1.5-MW wind turbine are carried out to evaluate ride-through performance of the proposed high-order sliding mode control strategy in case of grid frequency variations and unbalanced voltage sags. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Reduction of total labor length through the addition of parenteral dextrose solution in induction of labor in nulliparous: results of DEXTRONS prospective randomized controlled trial.

PubMed

Paré, Josianne; Pasquier, Jean-Charles; Lewin, Antoine; Fraser, William; Bureau, Yves-André

2017-05-01

Prolonged labor is a significant cause of maternal and fetal morbidity and very few interventions are known to shorten labor course. Skeletal muscle physiology suggests that glucose supplementation might improve muscle performance in case of prolonged exercise and this situation is analogous to the gravid uterus during delivery. Therefore, it seemed imperative to evaluate the impact of adding carbohydrate supplements on the course of labor. We sought to provide evidence as to whether intravenous glucose supplementation during labor induction in nulliparous women can reduce total duration of active labor. We performed a single-center prospective double-blind randomized controlled trial comparing the use of parental intravenous dextrose 5% with normal saline to normal saline in induced nulliparous women. The study was conducted in a tertiary-level university hospital setting. Participants, caregivers, and those assessing the outcomes were blinded to group assignment. Inclusion criteria were singleton pregnancy at term with cephalic presentation and favorable cervix. Based on blocked randomization, patients were assigned to receive either 250 mL/h of intravenous dextrose 5% with normal saline or 250 mL/h of normal saline for the whole duration of induction, labor, and delivery. The primary outcome studied was the total length of active labor. Secondary outcomes included duration of the active phase of second stage of labor, the mode of delivery, Apgar scores, and arterial cord pH. In all, 100 patients were randomized into each group. A total of 193 patients (96 in the dextrose with normal saline group and 97 in the normal saline group) were analyzed in the study. The median total duration of labor was significantly less in the dextrose with normal saline group (499 vs 423 minutes, P = .024) than in the normal saline group. The probabilities of a woman being delivered at 200 minutes and 450 minutes were 18.8% and 77.1% in the dextrose with normal saline group vs 8.2% and 59.8% in the normal saline group (Kolmogorov-Smirnov test P value = .027). There was no difference in the rate of cesarean delivery, instrumented delivery, Apgar score, or arterial cord pH. Glucose supplementation significantly reduces the total length of labor without increasing the rate of complication in induced nulliparous women. Given the low cost and the safety of this intervention, glucose should be used as the default solute during labor. Copyright © 2017 Elsevier Inc. All rights reserved.

High Speed Size Sorting of Subcellular Organelles by Flow Field-Flow Fractionation.

PubMed

Yang, Joon Seon; Lee, Ju Yong; Moon, Myeong Hee

2015-06-16

Separation/isolation of subcellular species, such as mitochondria, lysosomes, peroxisomes, Golgi apparatus, and others, from cells is important for gaining an understanding of the cellular functions performed by specific organelles. This study introduces a high speed, semipreparative scale, biocompatible size sorting method for the isolation of subcellular organelle species from homogenate mixtures of HEK 293T cells using flow field-flow fractionation (FlFFF). Separation of organelles was achieved using asymmetrical FlFFF (AF4) channel system at the steric/hyperlayer mode in which nuclei, lysosomes, mitochondria, and peroxisomes were separated in a decreasing order of hydrodynamic diameter without complicated preprocessing steps. Fractions in which organelles were not clearly separated were reinjected to AF4 for a finer separation using the normal mode, in which smaller sized species can be well fractionated by an increasing order of diameter. The subcellular species contained in collected AF4 fractions were examined with scanning electron microscopy to evaluate their size and morphology, Western blot analysis using organelle specific markers was used for organelle confirmation, and proteomic analysis was performed with nanoflow liquid chromatography-tandem mass spectrometry (nLC-ESI-MS/MS). Since FlFFF operates with biocompatible buffer solutions, it offers great flexibility in handling subcellular components without relying on a high concentration sucrose solution for centrifugation or affinity- or fluorescence tag-based sorting methods. Consequently, the current study provides an alternative, competitive method for the isolation/purification of subcellular organelle species in their intact states.

Cross-diffusion-induced subharmonic spatial resonances in a predator-prey system

NASA Astrophysics Data System (ADS)

Gambino, G.; Lombardo, M. C.; Sammartino, M.

2018-01-01

In this paper we investigate the complex dynamics originated by a cross-diffusion-induced subharmonic destabilization of the fundamental subcritical Turing mode in a predator-prey reaction-diffusion system. The model we consider consists of a two-species Lotka-Volterra system with linear diffusion and a nonlinear cross-diffusion term in the predator equation. The taxis term in the search strategy of the predator is responsible for the onset of complex dynamics. In fact, our model does not exhibit any Hopf or wave instability, and on the basis of the linear analysis one should only expect stationary patterns; nevertheless, the presence of the nonlinear cross-diffusion term is able to induce a secondary instability: due to a subharmonic spatial resonance, the stationary primary branch bifurcates to an out-of-phase oscillating solution. Noticeably, the strong resonance between the harmonic and the subharmonic is able to generate the oscillating pattern albeit the subharmonic is below criticality. We show that, as the control parameter is varied, the oscillating solution (sub T mode) can undergo a sequence of secondary instabilities, generating a transition toward chaotic dynamics. Finally, we investigate the emergence of sub T -mode solutions on two-dimensional domains: when the fundamental mode describes a square pattern, subharmonic resonance originates oscillating square patterns. In the case of subcritical Turing hexagon solutions, the internal interactions with a subharmonic mode are able to generate the so-called "twinkling-eyes" pattern.

Normal-Mode Analysis of Circular DNA at the Base-Pair Level. 2. Large-Scale Configurational Transformation of a Naturally Curved Molecule.

PubMed

Matsumoto, Atsushi; Tobias, Irwin; Olson, Wilma K

2005-01-01

Fine structural and energetic details embedded in the DNA base sequence, such as intrinsic curvature, are important to the packaging and processing of the genetic material. Here we investigate the internal dynamics of a 200 bp closed circular molecule with natural curvature using a newly developed normal-mode treatment of DNA in terms of neighboring base-pair "step" parameters. The intrinsic curvature of the DNA is described by a 10 bp repeating pattern of bending distortions at successive base-pair steps. We vary the degree of intrinsic curvature and the superhelical stress on the molecule and consider the normal-mode fluctuations of both the circle and the stable figure-8 configuration under conditions where the energies of the two states are similar. To extract the properties due solely to curvature, we ignore other important features of the double helix, such as the extensibility of the chain, the anisotropy of local bending, and the coupling of step parameters. We compare the computed normal modes of the curved DNA model with the corresponding dynamical features of a covalently closed duplex of the same chain length constructed from naturally straight DNA and with the theoretically predicted dynamical properties of a naturally circular, inextensible elastic rod, i.e., an O-ring. The cyclic molecules with intrinsic curvature are found to be more deformable under superhelical stress than rings formed from naturally straight DNA. As superhelical stress is accumulated in the DNA, the frequency, i.e., energy, of the dominant bending mode decreases in value, and if the imposed stress is sufficiently large, a global configurational rearrangement of the circle to the figure-8 form takes place. We combine energy minimization with normal-mode calculations of the two states to decipher the configurational pathway between the two states. We also describe and make use of a general analytical treatment of the thermal fluctuations of an elastic rod to characterize the motions of the minicircle as a whole from knowledge of the full set of normal modes. The remarkable agreement between computed and theoretically predicted values of the average deviation and dispersion of the writhe of the circular configuration adds to the reliability in the computational approach. Application of the new formalism to the computed modes of the figure-8 provides insights into macromolecular motions which are beyond the scope of current theoretical treatments.

Weakly nonlinear behavior of a plate thickness-mode piezoelectric transformer.

PubMed

Yang, Jiashi; Chen, Ziguang; Hu, Yuantai; Jiang, Shunong; Guo, Shaohua

2007-04-01

We analyzed the weakly nonlinear behavior of a plate thickness-shear mode piezoelectric transformer near resonance. An approximate analytical solution was obtained. Numerical results based on the analytical solution are presented. It is shown that on one side of the resonant frequency the input-output relation becomes nonlinear, and on the other side the output voltage experiences jumps.

Ray convergence in a flux-like propagation formulation.

PubMed

Harrison, Chris H

2013-06-01

The energy flux formulation of waveguide propagation is closely related to the incoherent mode sum, and its simplicity has led to development of efficient computational algorithms for reverberation and target echo strength, but it lacks the effects of convergence or modal interference. By starting with the coherent mode sum and rejecting the most rapid interference but retaining beats on a scale of a ray cycle distance it is shown that convergence can be included in a hybrid formulation requiring minimal extra computation. Three solutions are offered by evaluating the modal intensity cross terms using Taylor expansions. In the most efficient approach the double summation of the cross terms is reduced to a single numerical sum by solving the other summation analytically. The other two solutions are a local range average and a local depth average. Favorable comparisons are made between these three solutions and the wave model Orca with, and without, spatial averaging in an upward refracting duct. As a by-product, it is shown that the running range average is very close to the mode solution excluding its fringes, given a relation between averaging window size and effective number of modes which, in turn, is related to the waveguide invariant.

New and Topologically Massive Gravity, from the Outside In

NASA Astrophysics Data System (ADS)

Cunliff, Colin

This thesis examines the asymptotically anti-de Sitter solutions of higher-derivative gravity in 2+1 dimensions, using a Fefferman-Graham-like approach that expands solutions from the boundary (at infinity) into the interior. First, solutions of topologically massive gravity (TMG) are analyzed for values of the mass parameter in the range mu ≥ 1. The traditional Fefferman-Graham expansion fails to capture the dynamics of TMG, and new terms in the asymptotic expansion are needed to include the massive graviton modes. The linearized modes of Carlip, Deser, Waldron and Wise map onto the non-Einstein solutions for all μ, with nonlinear corrections appearing at higher order in the expansion. A similar result is found for new massive gravity (NMG), where the asymptotic behavior of massive gravitons is found to depend on the coupling parameter m2. Additionally, new boundary conditions are discovered for a range of values -1 < 2m2 l2 < 1 at which non-Einstein modes decay more slowly than the rate required for Brown-Henneaux boundary conditions. The holographically renormalized stress tensor is computed for these modes, and the relevant counterterms are identified up to unphysical ambiguities.

A test of the Hall-MHD model: Application to low-frequency upstream waves at Venus

NASA Technical Reports Server (NTRS)

Orlowski, D. S.; Russell, C. T.; Krauss-Varban, D.; Omidi, N.

1994-01-01

Early studies suggested that in the range of parameter space where the wave angular frequency is less than the proton gyrofrequency and the plasma beta, the ratio of the thermal to magnetic pressure, is less than 1 magnetohydrodynamics provides an adequate description of the propagating modes in a plasma. However, recently, Lacombe et al. (1992) have reported significant differences between basic wave characteristics of the specific propagation modes derived from linear Vlasov and Hall-magnetohydrodynamic (MHD) theories even when the waves are only weakly damped. In this paper we compare the magnetic polarization and normalization magnetic compression ratio of ultra low frequency (ULF) upstream waves at Venus with magnetic polarization and normalized magnetic compression ratio derived from both theories. We find that while the 'kinetic' approach gives magnetic polarization and normalized magnetic compression ratio consistent with the data in the analyzed range of beta (0.5 less than beta less than 5) for the fast magnetosonic mode, the same wave characteristics derived from the Hall-MHD model strongly depend on beta and are consistent with the data only at low beta for the fast mode and at high beta for the intermediate mode.

Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C–H Region of DMSO as a Case Study

DOE PAGES

Fischer, Sean A.; Ueltschi, Tyler W.; El-Khoury, Patrick Z.; ...

2015-07-29

Carbon-hydrogen (C-H) vibration modes serve as key probes in the chemical identification of hydrocarbons and in vibrational sum-frequency generation (SFG) spectroscopy of hydrocarbons at the liquid/gas interface. Their assignments pose a challenge from a theoretical viewpoint. Here in this work, we present a detailed study of the C-H stretching region of dimethyl sulfoxide (DMSO) using a new Gaussian basis set- based ab initio molecular dynamics (AIMD) module that we have implemented in the NWChem computational chemistry program. By combining AIMD simulations and static normal mode analysis, we interpret experimental infrared and Raman spectra and explore the role of anharmonic effectsmore » in this system. Our anharmonic normal mode analysis of the in-phase and out-of-phase symmetric C-H stretching modes challenges the previous experimental assignment of the shoulder in the symmetric C-H stretching peak as an overtone or Fermi resonance. In addition, our AIMD simulations also show significant broadening of the in-phase symmetric C-H stretching resonance, which suggests that the experimentally observed shoulder is due to thermal broadening of the symmetric stretching resonance.« less

The Fundamental Solutions for the Stress Intensity Factors of Modes I, II And III. The Axially Symmetric Problem

NASA Astrophysics Data System (ADS)

Rogowski, B.

2015-05-01

The subject of the paper are Green's functions for the stress intensity factors of modes I, II and III. Green's functions are defined as a solution to the problem of an elastic, transversely isotropic solid with a penny-shaped or an external crack under general axisymmetric loadings acting along a circumference on the plane parallel to the crack plane. Exact solutions are presented in a closed form for the stress intensity factors under each type of axisymmetric ring forces as fundamental solutions. Numerical examples are employed and conclusions which can be utilized in engineering practice are formulated.

Localized solutions of Lugiato-Lefever equations with focused pump.

PubMed

Cardoso, Wesley B; Salasnich, Luca; Malomed, Boris A

2017-12-04

Lugiato-Lefever (LL) equations in one and two dimensions (1D and 2D) accurately describe the dynamics of optical fields in pumped lossy cavities with the intrinsic Kerr nonlinearity. The external pump is usually assumed to be uniform, but it can be made tightly focused too-in particular, for building small pixels. We obtain solutions of the LL equations, with both the focusing and defocusing intrinsic nonlinearity, for 1D and 2D confined modes supported by the localized pump. In the 1D setting, we first develop a simple perturbation theory, based in the sech ansatz, in the case of weak pump and loss. Then, a family of exact analytical solutions for spatially confined modes is produced for the pump focused in the form of a delta-function, with a nonlinear loss (two-photon absorption) added to the LL model. Numerical findings demonstrate that these exact solutions are stable, both dynamically and structurally (the latter means that stable numerical solutions close to the exact ones are found when a specific condition, necessary for the existence of the analytical solution, does not hold). In 2D, vast families of stable confined modes are produced by means of a variational approximation and full numerical simulations.

Near- and far-field investigation of dark and bright higher order resonances in square loop elements at mid-infrared wavelengths.

PubMed

Tucker, Eric; D'Archangel, Jeffrey; Boreman, Glenn

2017-03-06

Three different size gold square loop structures were fabricated as arrays on ZnS over a ground plane and designed to have absorptive fundamental, second order, and third order resonances at a wavelength of 10.6 µm and 60° off-normal. The angular dependent far-field spectral absorptivity was investigated over the mid-infrared for each size loop array. It was found that the second order modes were dark at normal incidence, but became excited at off-normal incidence, which is consistent with previous work for similar geometry structures. Furthermore, near-field measurements and simulations at a wavelength of 10.6 µm and 60° off-normal showed that the second order mode (quadrupolar) of the medium size loop yielded a near-field response similar in magnitude to the fundamental mode (dipolar) of the small size loop, which can be important for sensing related applications where both strong near-field enhancement and more uniform or less localized field is beneficial.

Water-separated ion pairs cause the slow dielectric mode of magnesium sulfate solutions

NASA Astrophysics Data System (ADS)

Mamatkulov, Shavkat I.; Rinne, Klaus F.; Buchner, Richard; Netz, Roland R.; Bonthuis, Douwe Jan

2018-06-01

We compare the dielectric spectra of aqueous MgSO4 and Na2SO4 solutions calculated from classical molecular dynamics simulations with experimental data, using an optimized thermodynamically consistent sulfate force field. Both the concentration-dependent shift of the static dielectric constant and the spectral shape match the experimental results very well for Na2SO4 solutions. For MgSO4 solutions, the simulations qualitatively reproduce the experimental observation of a slow mode, the origin of which we trace back to the ion-pair relaxation contribution via spectral decomposition. The radial distribution functions show that Mg2+ and SO42 - ions form extensive water-separated—and thus strongly dipolar—ion pairs, the orientational relaxation of which provides a simple physical explanation for the prominent slow dielectric mode in MgSO4 solutions. Remarkably, the Mg2+-SO42 - ion-pair relaxation extends all the way into the THz range, which we rationalize by the vibrational relaxation of tightly bound water-separated ion pairs. Thus, the relaxation of divalent ion pairs can give rise to widely separated orientational and vibrational spectroscopic features.

Technical and economic feasibility of development innovative technological solutions for expansion the adjustment range of high-power CCP

NASA Astrophysics Data System (ADS)

Arakelyan, E. K.; Andryushin, A. V.; Burtsev, S. Y.; Andryushin, K. A.

2017-11-01

The analysis of technical and parametric constraints on the adjustment range of highpower CCP and recommended technological solutions in the technical literature for their elimination. Established that in the conditions of toughening the requirements for economy, reliability and maneuverability on the part of the system operator with the participation of CCP in control the frequency and power in the power system, existing methods do not ensure the fulfillment of these requirements. The current situation in the energy sector — the lack of highly manoeuvrable power equipment leads to the need participate in control of power consumption diagrams for all types of power plants, including CCP, although initially they were intended primarily for basic loads. Large-scale research conducted at the department of Automated control systems of technological processes, showed the possibility of a significant expansion of the adjustment range of CCP when it operating in the condensing mode and in the heating mode. The report presents the main results of these research for example the CCP-450 and CCP-450T. Various technological solutions are considered: when CCP in the condensation mode — the use of bypass steam distribution schemes, the transfer of a part of the steam turbine into a low-steam mode; when CCP operation in the heating mode — bypass steam distribution and the transfer CCP to gas turbine unit — power heating plants mode with the transfer the steam turbine to the motor mode. Data on the evaluation of the technical and economic feasibility of the proposed innovative technological solutions are presented in comparison with the methods used to solve this problem, which are used in practice, such as passing through the failures of the electric load graphs by transferring the CCP to the mode of operation with incomplete equipment. When comparing, both the economics, and the maneuverability and reliability of the equipment are considered.

Propagation of evanescent waves in multimode chalcogenide fiber immersed in an aqueous acetone solution: theory and experiment

NASA Astrophysics Data System (ADS)

Korsakova, S. V.; Romanova, E. A.; Velmuzhov, A. P.; Kotereva, T. V.; Sukhanov, M. V.; Shiryaev, V. S.

2017-04-01

Chalcogenide fibers are considered as a base for creation of a fiber-optical platform for the mid-IR evanescent wave spectroscopy. In this work, transmittance of a multimode fiber made of Ge26As17Se25Te32 glass, immersed into an aqueous acetone solution was measured in the range of wavelengths 5 - 9 microns at various concentrations of the solution. A theoretical approach based on electromagnetic theory of optical fibers has been applied for analysis of evanescent modes propagation in the fiber. Attenuation coefficients calculated for each HE1m evanescent mode increase with the mode radial order m. This effect can be used for optimisation of the fiber-optic sensing elements for the mid-IR spectroscopy.

Determination of the Fracture Parameters in a Stiffened Composite Panel

NASA Technical Reports Server (NTRS)

Lin, Chung-Yi

2000-01-01

A modified J-integral, namely the equivalent domain integral, is derived for a three-dimensional anisotropic cracked solid to evaluate the stress intensity factor along the crack front using the finite element method. Based on the equivalent domain integral method with auxiliary fields, an interaction integral is also derived to extract the second fracture parameter, the T-stress, from the finite element results. The auxiliary fields are the two-dimensional plane strain solutions of monoclinic materials with the plane of symmetry at x(sub 3) = 0 under point loads applied at the crack tip. These solutions are expressed in a compact form based on the Stroh formalism. Both integrals can be implemented into a single numerical procedure to determine the distributions of stress intensity factor and T-stress components, T11, T13, and thus T33, along a three-dimensional crack front. The effects of plate thickness and crack length on the variation of the stress intensity factor and T-stresses through the thickness are investigated in detail for through-thickness center-cracked plates (isotropic and orthotropic) and orthotropic stiffened panels under pure mode-I loading conditions. For all the cases studied, T11 remains negative. For plates with the same dimensions, a larger size of crack yields larger magnitude of the normalized stress intensity factor and normalized T-stresses. The results in orthotropic stiffened panels exhibit an opposite trend in general. As expected, for the thicker panels, the fracture parameters evaluated through the thickness, except the region near the free surfaces, approach two-dimensional plane strain solutions. In summary, the numerical methods presented in this research demonstrate their high computational effectiveness and good numerical accuracy in extracting these fracture parameters from the finite element results in three-dimensional cracked solids.

Raman dispersion spectroscopy on the highly saddled nickel(II)-octaethyltetraphenylporphyrin reveals the symmetry of nonplanar distortions and the vibronic coupling strength of normal modes

NASA Astrophysics Data System (ADS)

Schweitzer-Stenner, Reinhard; Stichternath, Andreas; Dreybrodt, Wolfgang; Jentzen, Walter; Song, Xing-Zhi; Shelnutt, John A.; Nielsen, Ole Faurskov; Medforth, Craig J.; Smith, Kevin M.

1997-08-01

We have measured the polarized Raman cross sections and depolarization ratios of 16 fundamental modes of nickel octaethyltetraphenylporphyrin in a CS2 solution for 16 fundamental modes, i.e., the A1g-type vibrations ν1, ν2, ν3, ν4, ν5, and φ8, the B1g vibrations ν11 and ν14, the B2g vibrations ν28, ν29, and ν30 and the antisymmetric A2g modes ν19, ν20, ν22, and ν23 as function of the excitation wavelength. The data cover the entire resonant regions of the Q- and B-bands. They were analyzed by use of a theory which describes intra- and intermolecular coupling in terms of a time-independent nonadiabatic perturbation theory [E. Unger, U. Bobinger, W. Dreybrodt, and R. Schweitzer-Stenner, J. Phys. Chem. 97, 9956 (1993)]. This approach explicitly accounts in a self-consistent way for multimode mixing with all Raman modes investigated. The vibronic coupling parameters obtained from this procedure were then used to successfully fit the vibronic side bands of the absorption spectrum and to calculate the resonance excitation profiles in absolute units. Our results show that the porphyrin macrocycle is subject to B2u-(saddling) and B1u-(ruffling) distortions which lower its symmetry to S4. Thus, evidence is provided that the porphyrin molecule maintains the nonplanar structure of its crystal phase in an organic solvent. The vibronic coupling parameters indicate a breakdown of the four-orbital model. This notion is corroborated by (ZINDO/S) calculations which reveal that significant configurational interaction occurs between the electronic transitions into |Q>- and |1B>-states and various porphyrin→porphyrin, metal→porphyrin, and porphyrin→metal transitions. The intrastate coupling parameters are used to estimate the excited electronic states' displacements along the normal coordinates with respect to the ground state and their contributions to the reorganization energy. It turns out that the |B>-state is predominantly affected by symmetric A1g-displacements, whereas the |Q>-state is subject to A2g, B1g, and B2g displacements of its equilibrium configuration. While the former is induced by the combined effect of ruffling and saddling, the latter arises from Jahn-Teller coupling within the degenerate states.

Evaluation of diaphragmatic motion in normal and diaphragmatic paralyzed dogs using M-mode ultrasonography.

PubMed

Choi, Mihyun; Lee, Namsoon; Kim, Ahyoung; Keh, Seoyeon; Lee, Jinsoo; Kim, Hyunwook; Choi, Mincheol

2014-01-01

Diagnosis of unilateral diaphragmatic paralysis in dogs is currently based on fluoroscopic detection of unequal movement between the crura. Bilateral paralysis may be more difficult to confirm with fluoroscopy because diaphragmatic movement is sometimes produced by compensatory abdominal muscle contractions. The purpose of this study was to develop a new method to evaluate diaphragmatic movement using M-mode ultrasonography and to describe findings for normal and diaphragmatic paralyzed dogs. Fifty-five clinically normal dogs and two dogs with diaphragmatic paralysis were recruited. Thoracic radiographs were acquired for all dogs and fluoroscopy studies were also acquired for clinically affected dogs. Two observers independently measured diaphragmatic direction of motion and amplitude of excursion using M-mode ultrasonography for dogs meeting study inclusion criteria. Eight of the clinically normal dogs were excluded due to abnormal thoracic radiographic findings. For the remaining normal dogs, the lower limit values of diaphragmatic excursion were 2.85-2.98 mm during normal breathing. One dog with bilateral diaphragmatic paralysis showed paradoxical movement of both crura at the end of inspiration. One dog with unilateral diaphragmatic paralysis had diaphragmatic excursion values of 2.00 ± 0.42 mm on the left side and 4.05 ± 1.48 mm on the right side. The difference between left and right diaphragmatic excursion values was 55%. Findings indicated that M-mode ultrasonography is a relatively simple and objective method for measuring diaphragmatic movement in dogs. Future studies are needed in a larger number of dogs with diaphragmatic paralysis to determine the diagnostic sensitivity of this promising new technique. © 2013 American College of Veterinary Radiology.

An HTML5-Based Pure Website Solution for Rapidly Viewing and Processing Large-Scale 3D Medical Volume Reconstruction on Mobile Internet

PubMed Central

Chen, Xin; Zhang, Ye; Zhang, Jingna; Li, Ying; Mo, Xuemei; Chen, Wei

2017-01-01

This study aimed to propose a pure web-based solution to serve users to access large-scale 3D medical volume anywhere with good user experience and complete details. A novel solution of the Master-Slave interaction mode was proposed, which absorbed advantages of remote volume rendering and surface rendering. On server side, we designed a message-responding mechanism to listen to interactive requests from clients (Slave model) and to guide Master volume rendering. On client side, we used HTML5 to normalize user-interactive behaviors on Slave model and enhance the accuracy of behavior request and user-friendly experience. The results showed that more than four independent tasks (each with a data size of 249.4 MB) could be simultaneously carried out with a 100-KBps client bandwidth (extreme test); the first loading time was <12 s, and the response time of each behavior request for final high quality image remained at approximately 1 s, while the peak value of bandwidth was <50-KBps. Meanwhile, the FPS value for each client was ≥40. This solution could serve the users by rapidly accessing the application via one URL hyperlink without special software and hardware requirement in a diversified network environment and could be easily integrated into other telemedical systems seamlessly. PMID:28638406

An HTML5-Based Pure Website Solution for Rapidly Viewing and Processing Large-Scale 3D Medical Volume Reconstruction on Mobile Internet.

PubMed

Qiao, Liang; Chen, Xin; Zhang, Ye; Zhang, Jingna; Wu, Yi; Li, Ying; Mo, Xuemei; Chen, Wei; Xie, Bing; Qiu, Mingguo

2017-01-01

This study aimed to propose a pure web-based solution to serve users to access large-scale 3D medical volume anywhere with good user experience and complete details. A novel solution of the Master-Slave interaction mode was proposed, which absorbed advantages of remote volume rendering and surface rendering. On server side, we designed a message-responding mechanism to listen to interactive requests from clients ( Slave model) and to guide Master volume rendering. On client side, we used HTML5 to normalize user-interactive behaviors on Slave model and enhance the accuracy of behavior request and user-friendly experience. The results showed that more than four independent tasks (each with a data size of 249.4 MB) could be simultaneously carried out with a 100-KBps client bandwidth (extreme test); the first loading time was <12 s, and the response time of each behavior request for final high quality image remained at approximately 1 s, while the peak value of bandwidth was <50-KBps. Meanwhile, the FPS value for each client was ≥40. This solution could serve the users by rapidly accessing the application via one URL hyperlink without special software and hardware requirement in a diversified network environment and could be easily integrated into other telemedical systems seamlessly.

EGSIEM: Combination of GRACE monthly gravity models on normal equation level

NASA Astrophysics Data System (ADS)

Meyer, Ulrich; Jean, Yoomin; Jäggi, Adrian; Mayer-Gürr, Torsten; Neumayer, Hans; Lemoine, Jean-Michel

2016-04-01

One of the three geodetic services to be realized in the frame of the EGSIEM project is a scientific combination service. Each associated processing center (AC) will follow a set of common processing standards but will apply its own, independent analysis method. Therefore the quality, robustness and reliability of the combined monthly gravity fields is expected to improve significantly compared to the individual solutions. The Monthly GRACE gravity fields of all ACs are combined on normal equation level. The individual normal equations are weighted depending on pairwise comparisons of the individual gravity field solutions. To derive these weights and for quality control of the individual contributions first a combination of the monthly gravity fields on solution level is performed. The concept of weighting and of the combination on normal equation level is introduced and the formats used for normal equation exchange and gravity field solutions is described. First results of the combination on normal equation level are presented and compared to the corresponding combinations on solution level. EGSIEM has an open data policy and all processing centers of GRACE gravity fields are invited to participate in the combination.

Biomechanical measurements of stiffness and strength for five types of whole human and artificial humeri.

PubMed

Aziz, Mina S R; Nicayenzi, Bruce; Crookshank, Meghan C; Bougherara, Habiba; Schemitsch, Emil H; Zdero, Radovan

2014-05-01

The human humerus is the third largest longbone and experiences 2-3% of all fractures. Yet, almost no data exist on its intact biomechanical properties, thus preventing researchers from obtaining a full understanding of humerus behavior during injury and after being repaired with fracture plates and nails. The aim of this experimental study was to compare the biomechanical stiffness and strength of "gold standard" fresh-frozen humeri to a variety of humerus models. A series of five types of intact whole humeri were obtained: human fresh-frozen (n = 19); human embalmed (n = 18); human dried (n = 15); artificial "normal" (n = 12); and artificial "osteoporotic" (n = 12). Humeri were tested under "real world" clinical loading modes for shear stiffness, torsional stiffness, cantilever bending stiffness, and cantilever bending strength. After removing geometric effects, fresh-frozen results were 585.8 ± 181.5 N/mm2 (normalized shear stiffness); 3.1 ± 1.1 N/(mm2 deg) (normalized torsional stiffness); 850.8 ± 347.9 N/mm2 (normalized cantilever stiffness); and 8.3 ± 2.7 N/mm2 (normalized cantilever strength). Compared to fresh-frozen values, statistical equivalence (p ≥ 0.05) was obtained for all four test modes (embalmed humeri), 1 of 4 test modes (dried humeri), 1 of 4 test modes (artificial "normal" humeri), and 1 of 4 test modes (artificial "osteoporotic" humeri). Age and bone mineral density versus experimental results had Pearson linear correlations ranging from R = -0.57 to 0.80. About 77% of human humeri failed via a transverse or oblique distal shaft fracture, whilst 88% of artificial humeri failed with a mixed transverse + oblique fracture. To date, this is the most comprehensive study on the biomechanics of intact human and artificial humeri and can assist researchers to choose an alternate humerus model that can substitute for fresh-frozen humeri.

Evaluation of MARC for the analysis of rotating composite blades

NASA Technical Reports Server (NTRS)

Bartos, Karen F.; Ernst, Michael A.

1993-01-01

The suitability of the MARC code for the analysis of rotating composite blades was evaluated using a four-task process. A nonlinear displacement analysis and subsequent eigenvalue analysis were performed on a rotating spring mass system to ensure that displacement-dependent centrifugal forces were accounted for in the eigenvalue analysis. Normal modes analyses were conducted on isotropic plates with various degrees of twist to evaluate MARC's ability to handle blade twist. Normal modes analyses were conducted on flat composite plates to validate the newly developed coupled COBSTRAN-MARC methodology. Finally, normal modes analyses were conducted on four composite propfan blades that were designed, analyzed, and fabricated at NASA Lewis Research Center. Results were compared with experimental data. The research documented herein presents MARC as a viable tool for the analysis of rotating composite blades.

Evaluation of MARC for the analysis of rotating composite blades

NASA Astrophysics Data System (ADS)

Bartos, Karen F.; Ernst, Michael A.

1993-03-01

The suitability of the MARC code for the analysis of rotating composite blades was evaluated using a four-task process. A nonlinear displacement analysis and subsequent eigenvalue analysis were performed on a rotating spring mass system to ensure that displacement-dependent centrifugal forces were accounted for in the eigenvalue analysis. Normal modes analyses were conducted on isotropic plates with various degrees of twist to evaluate MARC's ability to handle blade twist. Normal modes analyses were conducted on flat composite plates to validate the newly developed coupled COBSTRAN-MARC methodology. Finally, normal modes analyses were conducted on four composite propfan blades that were designed, analyzed, and fabricated at NASA Lewis Research Center. Results were compared with experimental data. The research documented herein presents MARC as a viable tool for the analysis of rotating composite blades.

Mode locking and island suppression by resonant magnetic perturbations in Rutherford regime

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

Huang, Wenlong; Zhu, Ping, E-mail: pzhu@ustc.edu.cn

We demonstrate in theory that tearing mode locking and magnetic island suppression by resonant magnetic perturbations (RMPs) can correspond to different states of a same dynamic system governed by the torque balance and the nonlinear island evolution in the Rutherford regime. In particular, mode locking corresponds to the exact steady state of this system. A new exact analytic solution has been obtained for such a steady state, which quantifies the dependence of the locked mode island width on RMP amplitude in different plasma regimes. Furthermore, two different branches of mode locking have been revealed with the new analytic solution andmore » the branch with suppressed island width turns out to be unstable in general. On the other hand, the system also admits stable states of island suppression achieved through the RMP modulation of tearing mode rotational frequency. When the RMP amplitude is above a certain threshold, the island suppression is transient until the tearing mode eventually gets locked. When the RMP amplitude is below the mode locking threshold, the island can be suppressed in a steady state on time-average, along with transient oscillations in rotational frequency and island width due to the absence of mode locking.« less

Diffusion of Small Solute Particles in Viscous Liquids: Cage Diffusion, a Result of Decoupling of Solute-Solvent Dynamics, Leads to Amplification of Solute Diffusion.

PubMed

Acharya, Sayantan; Nandi, Manoj K; Mandal, Arkajit; Sarkar, Sucharita; Bhattacharyya, Sarika Maitra

2015-08-27

We study the diffusion of small solute particles through solvent by keeping the solute-solvent interaction repulsive and varying the solvent properties. The study involves computer simulations, development of a new model to describe diffusion of small solutes in a solvent, and also mode coupling theory (MCT) calculations. In a viscous solvent, a small solute diffuses via coupling to the solvent hydrodynamic modes and also through the transient cages formed by the solvent. The model developed can estimate the independent contributions from these two different channels of diffusion. Although the solute diffusion in all the systems shows an amplification, the degree of it increases with solvent viscosity. The model correctly predicts that when the solvent viscosity is high, the solute primarily diffuses by exploiting the solvent cages. In such a scenario the MCT diffusion performed for a static solvent provides a correct estimation of the cage diffusion.

On the tunability of quality-factor for optical Tamm plasmon modes

NASA Astrophysics Data System (ADS)

Kumar, Samir; Das, Ritwick

2017-09-01

We present a comprehensive investigation to ascertain the impact of gold and silver films on modifying the quality-factor (Q-factor) of optical Tamm-plasmon (OTP) resonance in a metal-distributed Bragg reflector (M-DBR) geometry. Here, OTP mode is excited using direct incidence of white-light-source at normal incidence as well as oblique incidence on M-DBR geometry. The lifetime of OTP in gold and silver deposited films on DBR mirror was determined from OTP resonance linewidth. The lifetime and the Q-factor of OTP modes are found to depend on DBR bilayers, metal film thickness as well as on different plasmon active metals. This finding would facilitate tuning the Q-factor and consequently, the lifetime of OTP modes for various applications in all-optical switches and modulators. In addition, we discuss the spectral characteristics of OTP modes excited using normal and oblique incident of source.

Defect modes in a stacked structure of chiral photonic crystals.

PubMed

Chen, Jiun-Yeu; Chen, Lien-Wen

2005-06-01

An optical propagation simulation is carried out for the study of photonic defect modes in a stacked structure of cholesteric liquid crystal films with spatially varying pitch. The defects are introduced by a pitch jump and a phase jump in the cholesteric helix. The effect of a finite sample thickness on transmission of the defect mode and on the required polarization of incident light to create the defect mode is discussed. For normal and near-normal incidence of circularly polarized light with the same handedness as structure, the defect caused by a pitch jump results in discrete peaks within a forbidden band in the transmission. The particular spectrum is similar to the feature of a Fabry-Pérot interferometer. By introducing an additional phase jump, linear blueshifts of the defect modes in transmission spectra are correlated with an increase in the twist angle.

Vibrational modes of thin oblate clouds of charge

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Spencer, Ross L.

2002-07-01

A numerical method is presented for finding the eigenfunctions (normal modes) and mode frequencies of azimuthally symmetric non-neutral plasmas confined in a Penning trap whose axial thickness is much smaller than their radial size. The plasma may be approximated as a charged disk in this limit; the normal modes and frequencies can be found if the surface charge density profile σ(r) of the disk and the trap bounce frequency profile ωz(r) are known. The dependence of the eigenfunctions and equilibrium plasma shapes on nonideal components of the confining Penning trap fields is discussed. The results of the calculation are compared with the experimental data of Weimer et al. [Phys. Rev. A 49, 3842 (1994)] and it is shown that the plasma in this experiment was probably hollow and had mode displacement functions that were concentrated near the center of the plasma.

Polarization Behavior Across Profile Modes For B0329+54: What Consistent Non-RVM Polarization Tells About the Emission Processes

NASA Astrophysics Data System (ADS)

Brinkman-Traverse, Casey; Rankin, Joanna M.; Mitra, Dipanjan

2017-01-01

In this paper, we analyze the quirky polarization behavior across different profile modes for the pulsar B0329+54. We have multi-frequency observations in both the normal and abnormal profile modes, and have identified a non-RVM polarization kink in the core component of the emission. Mitra et al initially identified this kink in the normal profile mode of the pulsar in 2007, and a mirror analysis has been done here for abnormal profile modes at three different frequencies. This kink is intensity dependent, showing up only in the abberated/retarded high intensity pulses, and is frequency independent. This parallel between profile modes shows that the same geometric phenomenon—a height dependent amplifier—is responsible for the non-RVM polarization behavior in each. The question then arises: what can be the source of the profile change, which does not change the polarization characteristics of the pulsar. This pulsar gives us a unique opportunity to study the process of pulsar emission by showing what cannot be responsible for switches in profile mode, and thus profile shape.

Dirac perturbations on Schwarzschild-anti-de Sitter spacetimes: Generic boundary conditions and new quasinormal modes

NASA Astrophysics Data System (ADS)

Wang, Mengjie; Herdeiro, Carlos; Jing, Jiliang

2017-11-01

We study Dirac quasinormal modes of Schwarzschild-anti-de Sitter (Schwarzschild-AdS) black holes, following the generic principle for allowed boundary conditions proposed in [M. Wang, C. Herdeiro, and M. O. P. Sampaio, Phys. Rev. D 92, 124006 (2015)., 10.1103/PhysRevD.92.124006]. After deriving the equations of motion for Dirac fields on the aforementioned background, we impose vanishing energy flux boundary conditions to solve these equations. We find a set of two Robin boundary conditions are allowed. These two boundary conditions are used to calculate Dirac normal modes on empty AdS and quasinormal modes on Schwarzschild-AdS black holes. In the former case, we recover the known normal modes of empty AdS; in the latter case, the two sets of Robin boundary conditions lead to two different branches of quasinormal modes. The impact on these modes of the black hole size, the angular momentum quantum number and the overtone number are discussed. Our results show that vanishing energy flux boundary conditions are a robust principle, applicable not only to bosonic fields but also to fermionic fields.

The effects of solvent on the conformation and the collective motions of protein: Normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum

NASA Astrophysics Data System (ADS)

Kitao, Akio; Hirata, Fumio; Gō, Nobuhiro

1991-12-01

The effects of solvent on the conformation and dynamics of protein is studied by computer simulation. The dynamics is studied by focusing mainly on collective motions of the protein molecule. Three types of simulation, normal mode analysis, molecular dynamics in vacuum, and molecular dynamics in water are applied to melittin, the major component of bee venom. To define collective motions principal, component analysis as well as normal mode analysis has been carried out. The principal components with large fluctuation amplitudes have a very good correspondence with the low-frequency normal modes. Trajectories of the molecular dynamics simulation are projected onto the principal axes. From the projected motions time correlation functions are calculated. The results indicate that the very-low-frequency modes, whose frequencies are less than ≈ 50 cm -1, are overdamping in water with relaxation times roushly twice as long as the period of the oscillatory motion. Effective Langevin mode analysis is carried out by using the friction coefficient matrix determined from the velocity correlation function calculated from the molecular dynamics trajectory in water. This analysis reproduces the results of the simulation in water reasonably well. The presence of the solvent water is found also to affect the shape of the potential energy surface in such a way that it produces many local minima with low-energy barriers in between, the envelope of which is given by the surface in vacuum. Inter-minimum transitions endow the conformational dynamics of proteins in water another diffusive character, which already exists in the intra-minimum collective motions.

Tunable triple-wavelength mode-locked fiber laser with topological insulator Bi2Se3 solution

NASA Astrophysics Data System (ADS)

Guo, Bo; Yao, Yong

2016-08-01

We experimentally demonstrated a tunable triple-wavelength mode-locked erbium-doped fiber laser with few-layer topological insulator: Bi2Se3/polyvinyl alcohol solution. By properly adjusting the pump power and the polarization state, the single-, dual-, and triple-wavelength mode-locking operation could be stably initiated with a wavelength-tunable range (˜1 nm) and a variable wavelength spacing (1.7 or 2 nm). Meanwhile, it exhibits the maximum output power of 10 mW and pulse energy of 1.12 nJ at the pump power of 175 mW. The simple, low-cost triple-wavelength mode-locked fiber laser might be applied in various potential fields, such as optical communication, biomedical research, and sensing system.

Development of higher-order modal methods for transient thermal and structural analysis

NASA Technical Reports Server (NTRS)

Camarda, Charles J.; Haftka, Raphael T.

1989-01-01

A force-derivative method which produces higher-order modal solutions to transient problems is evaluated. These higher-order solutions converge to an accurate response using fewer degrees-of-freedom (eigenmodes) than lower-order methods such as the mode-displacement or mode-acceleration methods. Results are presented for non-proportionally damped structural problems as well as thermal problems modeled by finite elements.

Solution Strategies, Modes of Representation and Justifications of Primary Five Pupils in Solving Pre Algebra Problems: An Experience of Using Task-Based Interview and Verbal Protocol Analysis

ERIC Educational Resources Information Center

Ling, Gan We; Ghazali, Munirah

2007-01-01

This descriptive study was aimed at looking into how Primary 5 pupils solve pre-algebra problems concerning patterns and unknown quantities. Specifically, objectives of this study were to describe Primary 5 pupils' solution strategies, modes of representations and justifications in: (a) discovering, describing and using numerical and geometrical…

A quantitative analysis of coupled oscillations using mobile accelerometer sensors

NASA Astrophysics Data System (ADS)

Castro-Palacio, Juan Carlos; Velázquez-Abad, Luisberis; Giménez, Fernando; Monsoriu, Juan A.

2013-05-01

In this paper, smartphone acceleration sensors were used to perform a quantitative analysis of mechanical coupled oscillations. Symmetric and asymmetric normal modes were studied separately in the first two experiments. In the third, a coupled oscillation was studied as a combination of the normal modes. Results indicate that acceleration sensors of smartphones, which are very familiar to students, represent valuable measurement instruments for introductory and first-year physics courses.

Comments on compressible effects on Alfven normal modes in nonuniform plasmas

NASA Technical Reports Server (NTRS)

Mok, Y.; Einaudi, G.

1990-01-01

The paper discusses the regime of validity of the theory of dissipative Alfven normal modes presented by Mok and Einaudi (1985) and Einaudi and Mok (1985), which was based on the incompressible closure of the system of ideal MHD equations. Some simple extensions of the earlier results to the compressible case are described. In addition, certain misunderstandings of this work, which have appeared in other papers, are clarified.

Terahertz spectroscopy and solid-state density functional theory calculation of anthracene: Effect of dispersion force on the vibrational modes

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

Zhang, Feng; Tominaga, Keisuke, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp; Hayashi, Michitoshi, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp

2014-05-07

The phonon modes of molecular crystals in the terahertz frequency region often feature delicately coupled inter- and intra-molecular vibrations. Recent advances in density functional theory such as DFT-D{sup *} have enabled accurate frequency calculation. However, the nature of normal modes has not been quantitatively discussed against experimental criteria such as isotope shift (IS) and correlation field splitting (CFS). Here, we report an analytical mode-decoupling method that allows for the decomposition of a normal mode of interest into intermolecular translation, libration, and intramolecular vibrational motions. We show an application of this method using the crystalline anthracene system as an example. Themore » relationship between the experimentally obtained IS and the IS obtained by PBE-D{sup *} simulation indicates that two distinctive regions exist. Region I is associated with a pure intermolecular translation, whereas region II features coupled intramolecular vibrations that are further coupled by a weak intermolecular translation. We find that the PBE-D{sup *} data show excellent agreement with the experimental data in terms of IS and CFS in region II; however, PBE-D{sup *} produces significant deviations in IS in region I where strong coupling between inter- and intra-molecular vibrations contributes to normal modes. The result of this analysis is expected to facilitate future improvement of DFT-D{sup *}.« less

Modulation stability and dispersive optical soliton solutions of higher order nonlinear Schrödinger equation and its applications in mono-mode optical fibers

NASA Astrophysics Data System (ADS)

Arshad, Muhammad; Seadawy, Aly R.; Lu, Dianchen

2018-01-01

In mono-mode optical fibers, the higher order non-linear Schrödinger equation (NLSE) describes the propagation of enormously short light pulses. We constructed optical solitons and, solitary wave solutions of higher order NLSE mono-mode optical fibers via employing modified extended mapping method which has important applications in Mathematics and physics. Furthermore, the formation conditions are also given on parameters in which optical bright and dark solitons can exist for this media. The moment of the obtained solutions are also given graphically, that helps to realize the physical phenomena's of this model. The modulation instability analysis is utilized to discuss the model stability, which verifies that all obtained solutions are exact and stable. Many other such types of models arising in applied sciences can also be solved by this reliable, powerful and effective method. The method can also be functional to other sorts of higher order nonlinear problems in contemporary areas of research.

[The experiment research on solution refractive index sensor based on tilted fiber Bragg grating].

PubMed

Jiang, Qi; Lü, Dan-Dan; Yu, Ming-Hao; Kang, Li-Min; Ouyang, Jun

2013-12-01

The present paper analyzes the sensor's basic principle of the bare tilted fiber Bragg grating (TFBG) and surface plasmon resonance sensor (SPR) that deposited nanoscale gold-coating on the surface of the cladding. We simulated the transmission spectrums and some order cladding mode of TFBG in different concentration solutions by Integration and optical fiber grating software OptiGrating. So by the graphic observation and data analysis, a preliminary conclusion was got that in a certain sensing scope, the cladding modes of TFBG shift slightly to right with the increasing the solution refractive index(SRI),and the relation between resonance peak caused by the coupling of core mode and a certain cladding mode and the SRI was linear. Then the 45 nm thick gold coating was deposited on the surface of the TFBG cladding in a small-scale sputtering chamber KYKY SBC-12, and thermal field scanning electron microscopy presents that the effect of gold-coating was satisfactory to a certain extent in terms of microscopic level. The refractive index(RI) sensing experiments of different concentration solutions of NaCI, MgCI2, CaCI2 were carried out using bare and gold deposited TFBG. The RI sensing characteristics of both bare and gold deposited TFBGs respectively were studied by experiments. Meanwhile, it proved the conclusion that the cladding modes of TFBG drifted to right gradually when the SRI was increasing and the relations between resonance peak caused by the coupling of core mode and a certain cladding mode and the SRI were linear. And by quantitative analysis, we know that SPR sensor with the deposited namoscale gold layer on the surface of cladding enhanced the RI sensitivity dramatically by 2 to 500 nm RIU-1 which is 200 to 300 times larger than that of the bare tilted fiber Bragg grating approximately. The degrees of linear fittings of resonance peak caused by the coupling of core mode and a certain cladding mode and SRI of bare and gold-coating deposited SPR sensor are very good and both of them reach up to more than 0. 99.

Gravitational waves in Einstein-æther and generalized TeVeS theory after GW170817

NASA Astrophysics Data System (ADS)

Gong, Yungui; Hou, Shaoqi; Liang, Dicong; Papantonopoulos, Eleftherios

2018-04-01

In this work we discuss the polarization contents of Einstein-æther theory and the generalized tensor-vector-scalar (TeVeS) theory, as both theories have a normalized timelike vector field. We derive the linearized equations of motion around the flat spacetime background using the gauge-invariant variables to easily separate physical degrees of freedom. We find the plane wave solutions and identify the polarizations by examining the geodesic deviation equations. We find that there are five polarizations in Einstein-æther theory and six polarizations in the generalized TeVeS theory. In particular, the transverse breathing mode is mixed with the pure longitudinal mode. We also discuss the experimental tests of the extra polarizations in Einstein-æther theory using pulsar timing arrays combined with the gravitational-wave speed bound derived from the observations on GW 170817 and GRB 170817A. It turns out that it might be difficult to use pulsar timing arrays to distinguish different polarizations in Einstein-æther theory. The same speed bound also forces one of the propagating modes in the generalized TeVeS theory to travel much faster than the speed of light. Since the strong coupling problem does not exist in some parameter subspaces, the generalized TeVeS theory is excluded in these parameter subspaces.

A general solution strategy of modified power method for higher mode solutions

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

Zhang, Peng; Lee, Hyunsuk; Lee, Deokjung, E-mail: deokjung@unist.ac.kr

2016-01-15

A general solution strategy of the modified power iteration method for calculating higher eigenmodes has been developed and applied in continuous energy Monte Carlo simulation. The new approach adopts four features: 1) the eigen decomposition of transfer matrix, 2) weight cancellation for higher modes, 3) population control with higher mode weights, and 4) stabilization technique of statistical fluctuations using multi-cycle accumulations. The numerical tests of neutron transport eigenvalue problems successfully demonstrate that the new strategy can significantly accelerate the fission source convergence with stable convergence behavior while obtaining multiple higher eigenmodes at the same time. The advantages of the newmore » strategy can be summarized as 1) the replacement of the cumbersome solution step of high order polynomial equations required by Booth's original method with the simple matrix eigen decomposition, 2) faster fission source convergence in inactive cycles, 3) more stable behaviors in both inactive and active cycles, and 4) smaller variances in active cycles. Advantages 3 and 4 can be attributed to the lower sensitivity of the new strategy to statistical fluctuations due to the multi-cycle accumulations. The application of the modified power method to continuous energy Monte Carlo simulation and the higher eigenmodes up to 4th order are reported for the first time in this paper. -- Graphical abstract: -- Highlights: •Modified power method is applied to continuous energy Monte Carlo simulation. •Transfer matrix is introduced to generalize the modified power method. •All mode based population control is applied to get the higher eigenmodes. •Statistic fluctuation can be greatly reduced using accumulated tally results. •Fission source convergence is accelerated with higher mode solutions.« less

Effective As(III) Removal by A Multi-Charged Hydroacid Complex Draw Solute Facilitated Forward Osmosis-Membrane Distillation (FO-MD) Processes.

PubMed

Ge, Qingchun; Han, Gang; Chung, Tai-Shung

2016-03-01

Effective removal of As(III) from water by an oxalic acid complex with the formula of Na3[Cr(C2O4)3] (Na-Cr-OA) is demonstrated via an forward osmosis-membrane distillation (FO-MD) hybrid system in this study. Na-Cr-OA first proved its superiority as a draw solute with high water fluxes and negligible reverse fluxes in FO, then a systematic investigation of the Na-Cr-OA promoted FO process was conducted to ascertain the factors in As(III) removal. Relatively high water fluxes of 28 LMH under the FO mode and 74 LMH under the pressure retarded osmosis (PRO) mode were achieved when using a 1000 ppm As(III) solution as the feed and 1.0 M Na-Cr-OA as the draw solution at 60 °C. As(III) removal with a water recovery up to 21.6% (FO mode) and 48.3% (PRO mode) were also achieved in 2 h. An outstanding As(III) rejection with 30-3000 μg/L As(III) in the permeate was accomplished when As(III) feed solutions varied from 5 × 10(4) to 1 × 10(6) μg/L, superior to the best FO performance reported for As(III) removal. Incorporating MD into FO not only makes As(III) removal sustainable by reconcentrating the Na-Cr-OA solution simultaneously, but also reduces the As(III) concentration below 10 μg/L in the product water, meeting the WHO standard.

DENSITY-DEPENDENT FLOW IN ONE-DIMENSIONAL VARIABLY-SATURATED MEDIA

EPA Science Inventory

A one-dimensional finite element is developed to simulate density-dependent flow of saltwater in variably saturated media. The flow and solute equations were solved in a coupled mode (iterative), in a partially coupled mode (non-iterative), and in a completely decoupled mode. P...

Finite-Length Diocotron Modes in a Non-neutral Plasma Column

NASA Astrophysics Data System (ADS)

Walsh, Daniel; Dubin, Daniel

2017-10-01

Diocotron modes are 2D distortions of a non-neutral plasma column that propagate azimuthally via E × B drifts. While the infinite-length theory of diocotron modes is well-understood for arbitrary azimuthal mode number l, the finite-length mode frequency is less developed (with some exceptions), and is naturally of relevance to experiments. In this poster, we present an approach to address finite length effects, such as temperature dependence of the mode frequency. We use a bounce-averaged solution to the Vlasov Equation, in which the Vlasov Equation is solved using action-angle variables of the unperturbed Hamiltonian. We write the distribution function as a Fourier series in the bounce-angle variable ψ, keeping only the bounce-averaged term. We demonstrate a numerical solution to this equation for a realistic plasma with a finite Debye Length, compare to the existing l = 1 theory, and discuss possible extensions of the existing theory to l ≠ 1 . Supported by NSF/DOE Partnership Grants PHY1414570 and DESC0002451.

Multi-soliton solutions and Bäcklund transformation for a two-mode KdV equation in a fluid

NASA Astrophysics Data System (ADS)

Xiao, Zi-Jian; Tian, Bo; Zhen, Hui-Ling; Chai, Jun; Wu, Xiao-Yu

2017-01-01

In this paper, we investigate a two-mode Korteweg-de Vries equation, which describes the one-dimensional propagation of shallow water waves with two modes in a weakly nonlinear and dispersive fluid system. With the binary Bell polynomial and an auxiliary variable, bilinear forms, multi-soliton solutions in the two-wave modes and Bell polynomial-type Bäcklund transformation for such an equation are obtained through the symbolic computation. Soliton propagation and collisions between the two solitons are presented. Based on the graphic analysis, it is shown that the increase in s can lead to the increase in the soliton velocities under the condition of ?, but the soliton amplitudes remain unchanged when s changes, where s means the difference between the phase velocities of two-mode waves, ? and ? are the nonlinearity parameter and dispersion parameter respectively. Elastic collisions between the two solitons in both two modes are analyzed with the help of graphic analysis.

Tunable and switchable dual-wavelength dissipative soliton generation in an all-normal-dispersion Yb-doped fiber laser with birefringence fiber filter.

PubMed

Zhang, Z X; Xu, Z W; Zhang, L

2012-11-19

We report the generation of tunable single- and dual-wavelength dissipative solitons in an all-normal-dispersion mode-locked Yb-doped fiber laser, to the best of our knowledge, for the first time. Besides single-wavelength mode-locking, dual-wavelength mode-locking was achieved using an in-line birefringence fiber filter with periodic multiple passbands, which not only allows multiple wavelengths to oscillate simultaneously but also performs spectrum modulation on highly chirped dissipative pulse. Furthermore, taking advantage of the tunability of the birefringence fiber filter, wavelength tuning for both single- and dual-wavelength dissipative soliton mode-locking was realized. The dual-wavelength operation is also switchable. The all-fiber dissipative laser with flexible outputs can meet diverse application needs.

Picosecond ultrasonics study of the vibrational modes of a nanostructure

NASA Astrophysics Data System (ADS)

Antonelli, G. Andrew; Maris, Humphrey J.; Malhotra, Sandra G.; Harper, James M. E.

2002-03-01

We report experiments in which a subpicosecond pump light pulse is used to excite vibrations in a nanostructure consisting of a periodic array of copper wires embedded in a glass matrix on a silicon substrate. The motion of the wires after excitation is detected using a time-delayed probe light pulse. From the measured data, it is possible to determine the frequencies νn and damping rates Γn of a number of the normal modes of the structure. These modes have frequencies lying in the range 1-30 GHz. By comparison of the measured νn and Γn with the frequencies and damping rates calculated from a computer simulation of the vibrations of the nanostructure, we have been able to deduce the vibration patterns of six of the normal modes.

Use of group theory in the interpretation of infrared and Raman spectra. [Tables, vibrational spectroscopy

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

Silberman, E.; Morgan, H.W.

1977-01-01

Application of the mathematical theory of groups to the symmetry of molecules is a powerful method which permits the prediction, classification, and qualitative description of many molecular properties. In the particular case of vibrational molecular spectroscopy, applications of group theory lead to simple methods for the prediction of the number of bands to be found in the infrared and Raman spectra, their shape and polarization, and the qualitative description of the normal modes with which they are associated. The tables necessary for the application of group theory to vibrational spectroscopy and instructions on how to use them for molecular gases,more » liquids, and solutions are presented. A brief introduction to the concepts, definitions, nomenclature, and formulae is also included.« less

Advanced analysis technique for the evaluation of linear alternators and linear motors

NASA Technical Reports Server (NTRS)

Holliday, Jeffrey C.

1995-01-01

A method for the mathematical analysis of linear alternator and linear motor devices and designs is described, and an example of its use is included. The technique seeks to surpass other methods of analysis by including more rigorous treatment of phenomena normally omitted or coarsely approximated such as eddy braking, non-linear material properties, and power losses generated within structures surrounding the device. The technique is broadly applicable to linear alternators and linear motors involving iron yoke structures and moving permanent magnets. The technique involves the application of Amperian current equivalents to the modeling of the moving permanent magnet components within a finite element formulation. The resulting steady state and transient mode field solutions can simultaneously account for the moving and static field sources within and around the device.

Smart drug release systems based on stimuli-responsive polymers.

PubMed

Qing, Guangyan; Li, Minmin; Deng, Lijing; Lv, Ziyu; Ding, Peng; Sun, Taolei

2013-07-01

Stimuli-responsive polymers could respond to external stimuli, such as temperature, pH, photo-irradiation, electric field, biomolecules in solution, etc., which further induce reversible transformations in the structures and conformations of polymers, providing an excellent platform for controllable drug release, while the accuracy of drug delivery could obtain obvious improvement in this system. In this review, recent progresses in the drug release systems based on stimuli-responsive polymers are summarized, in which drugs can be released in an intelligent mode with high accuracy and efficiency, while potential damages to normal cells and tissues can also be effectively prevented owing to the unique characteristics of materials. Moreover, we introduce some smart nanoparticles-polymers conjugates and drug release devices, which are especially suitable for the long-term sustained drug release.

Shape determination and control for large space structures

NASA Technical Reports Server (NTRS)

Weeks, C. J.

1981-01-01

An integral operator approach is used to derive solutions to static shape determination and control problems associated with large space structures. Problem assumptions include a linear self-adjoint system model, observations and control forces at discrete points, and performance criteria for the comparison of estimates or control forms. Results are illustrated by simulations in the one dimensional case with a flexible beam model, and in the multidimensional case with a finite model of a large space antenna. Modal expansions for terms in the solution algorithms are presented, using modes from the static or associated dynamic mode. These expansions provide approximated solutions in the event that a used form analytical solution to the system boundary value problem is not available.

Vibrational normal modes of diazo-dimedone: A comparative study by Fourier infrared/Raman spectroscopies and conformational analysis by MM/QM

NASA Astrophysics Data System (ADS)

Téllez Soto, C. A.; Ramos, J. M.; Rianelli, R. S.; de Souza, M. C. B. V.; Ferreira, V. F.

2007-07-01

The 2-diazo-5,5-dimethyl-cyclohexane-1,3-dione ( 3) was synthesized and the FT-IR/Raman spectra were measured with the purpose of obtain a full assignment of the vibrational modes. Singular aspects concerning the -C dbnd N dbnd N oscillator are discussed in view of two strong bands observed in the region of 2300-2100 cm -1 in both, Infrared and Raman spectra. The density functional theory (DFT) was used to obtain the geometrical structure and for assisting in the vibrational assignment joint to the traditional normal coordinate analysis (NCA). The observed wavenumbers at 2145 (IR), 2144(R) are assigned as the coupled ν(N dbnd N) + ν(C dbnd N) vibrational mode with higher participation of the N dbnd N stretching. A 2188 cm -1 (IR) and at 2186 cm -1 (R) can be assigned as a overtone of one of ν(CC) normal mode or to a combination band of the fundamentals δ(CCH) found at 1169 cm -1 and the δ (CC dbnd N) found at 1017 cm -1 enhanced by Fermi resonance.

Vibrational Modes of Oblate Clouds of Charge

NASA Astrophysics Data System (ADS)

Jenkins, Thomas; Spencer, Ross L.

2000-10-01

When a nonneutral plasma confined in a Penning trap is allowed time to expand, its shape at global thermal equilibrium is that of a thin oblate spheroid [D. L. Paulson et al., Phys. Plasmas 5, 345 (1998)]. Oscillations similar to those of a drumhead can be externally induced in such a plasma. Although a theory developed by Dubin predicts the frequencies of the various normal modes of oscillation [Phys. Rev. Lett. 66, 2076 (1991)], this theory assumes that the plasma has zero temperature and is confined by an ideal quadrupole electric field. Neither of these conditions is strictly true in experiments [C. S. Weimer et al., Phys. Rev. A 49, 3842 (1994)] where physical properties of the plasma are deduced from measurements of these frequencies, causing the measurements and ideal theory to differ by about 20%. We reformulate the problem of the normal oscillatory modes as a principal-value integral eigenvalue equation, including finite-temperature and non-ideal confinement effects. The equation is solved numerically to obtain the plasma's normal mode frequencies and shapes; reasonable agreement with experiment is obtained.

Crossflow effects on the growth rate of inviscid Goertler vortices in a hypersonic boundary layer

NASA Technical Reports Server (NTRS)

Fu, Yibin; Hall, Philip

1992-01-01

The effects of crossflow on the growth rate of inviscid Goertler vortices in a hypersonic boundary layer with pressure gradient are studied. Attention is focused on the inviscid mode trapped in the temperature adjustment layer; this mode has greater growth rate than any other mode. The eigenvalue problem which governs the relationship between the growth rate, the crossflow amplitude, and the wavenumber is solved numerically, and the results are then used to clarify the effects of crossflow on the growth rate of inviscid Goertler vortices. It is shown that crossflow effects on Goertler vortices are fundamentally different for incompressible and hypersonic flows. The neutral mode eigenvalue problem is found to have an exact solution, and as a by-product, we have also found the exact solution to a neutral mode eigenvalue problem which was formulated, but unsolved before, by Bassom and Hall (1991).

Numerical analysis of two-fluid tearing mode instability in a finite aspect ratio cylinder

NASA Astrophysics Data System (ADS)

Ito, Atsushi; Ramos, Jesús J.

2018-01-01

The two-fluid resistive tearing mode instability in a periodic plasma cylinder of finite aspect ratio is investigated numerically for parameters such that the cylindrical aspect ratio and two-fluid effects are of order unity, hence the real and imaginary parts of the mode eigenfunctions and growth rate are comparable. Considering a force-free equilibrium, numerical solutions of the complete eigenmode equations for general aspect ratios and ion skin depths are compared and found to be in very good agreement with the corresponding analytic solutions derived by means of the boundary layer theory [A. Ito and J. J. Ramos, Phys. Plasmas 24, 072102 (2017)]. Scaling laws for the growth rate and the real frequency of the mode are derived from the analytic dispersion relation by using Taylor expansions and Padé approximations. The cylindrical finite aspect ratio effect is inferred from the scaling law for the real frequency of the mode.

Propagation characteristics of optical fiber structures with arbitrary shape and index variation

NASA Technical Reports Server (NTRS)

Manshadi, F.

1990-01-01

The application of the scalar wave-fast Fourier transform (SW-FFT) technique to the computation of the propagation characteristics of some complex optical fiber structures is presented. The SW-FFT technique is based on the numerical solution of the scalar wave equation by a forward-marching fast Fourier transform method. This solution yields the spatial configuration of the fields as well as its modal characteristics in and around the guiding structure. The following are treated by the SW-FFT method: analysis of coupled optical fibers and computation of their odd and even modes and coupling length; the solution of tapered optical waveguides (transitions) and the study of the effect of the slope of the taper on mode conversion; and the analysis of branching optical fibers and demonstration of their mode-filtering and/or power-dividing properties.

Fifth-order complex Korteweg-de Vries-type equations

NASA Astrophysics Data System (ADS)

Khanal, Netra; Wu, Jiahong; Yuan, Juan-Ming

2012-05-01

This paper studies spatially periodic complex-valued solutions of the fifth-order Korteweg-de Vries (KdV)-type equations. The aim is at several fundamental issues including the existence, uniqueness and finite-time blowup problems. Special attention is paid to the Kawahara equation, a fifth-order KdV-type equation. When a Burgers dissipation is attached to the Kawahara equation, we establish the existence and uniqueness of the Fourier series solution with the Fourier modes decaying algebraically in terms of the wave numbers. We also examine a special series solution to the Kawahara equation and prove the convergence and global regularity of such solutions associated with a single mode initial data. In addition, finite-time blowup results are discussed for the special series solution of the Kawahara equation.

An explicit analytical solution for sound propagation in a three-dimensional penetrable wedge with small apex angle.

PubMed

Petrov, Pavel S; Sturm, Frédéric

2016-03-01

A problem of sound propagation in a shallow-water waveguide with a weakly sloping penetrable bottom is considered. The adiabatic mode parabolic equations are used to approximate the solution of the three-dimensional (3D) Helmholtz equation by modal decomposition of the acoustic pressure field. The mode amplitudes satisfy parabolic equations that admit analytical solutions in the special case of the 3D wedge. Using the analytical formula for modal amplitudes, an explicit and remarkably simple expression for the acoustic pressure in the wedge is obtained. The proposed solution is validated by the comparison with a solution of the 3D penetrable wedge problem obtained using a fully 3D parabolic equation that includes a leading-order cross term correction.

Mode solutions for a Klein-Gordon field in anti-de Sitter spacetime with dynamical boundary conditions of Wentzell type

NASA Astrophysics Data System (ADS)

Dappiaggi, Claudio; Ferreira, Hugo R. C.; Juárez-Aubry, Benito A.

2018-04-01

We study a real, massive Klein-Gordon field in the Poincaré fundamental domain of the (d +1 )-dimensional anti-de Sitter (AdS) spacetime, subject to a particular choice of dynamical boundary conditions of generalized Wentzell type, whereby the boundary data solves a nonhomogeneous, boundary Klein-Gordon equation, with the source term fixed by the normal derivative of the scalar field at the boundary. This naturally defines a field in the conformal boundary of the Poincaré fundamental domain of AdS. We completely solve the equations for the bulk and boundary fields and investigate the existence of bound state solutions, motivated by the analogous problem with Robin boundary conditions, which are recovered as a limiting case. Finally, we argue that both Robin and generalized Wentzell boundary conditions are distinguished in the sense that they are invariant under the action of the isometry group of the AdS conformal boundary, a condition which ensures in addition that the total flux of energy across the boundary vanishes.

On the dynamical basis of the classification of normal galaxies

PubMed Central

Haass, J.; Bertin, G.; Lin, C. C.

1982-01-01

Some realistic galaxy models have been found to support discrete unstable spiral modes. Here, through the study of the relevant physical mechanisms and an extensive numerical investigation of the properties of the dominant modes in a wide class of galactic equilibria, we show how spiral structures are excited with different morphological features, depending on the properties of the equilibrium model. We identify the basic dynamical parameters and mechanisms and compare the resulting morphology of spiral modes with the actual classification of galaxies. The present study suggests a dynamical basis for the transition among various types and subclasses of normal and barred spiral galaxies. Images PMID:16593200

Bernstein modes in a non-neutral plasma column

NASA Astrophysics Data System (ADS)

Walsh, Daniel; Dubin, Daniel H. E.

2018-05-01

This paper presents theory and numerical calculations of electrostatic Bernstein modes in an inhomogeneous cylindrical plasma column. These modes rely on finite Larmor radius effects to propagate radially across the column until they are reflected when their frequency matches the upper hybrid frequency. This reflection sets up an internal normal mode on the column and also mode-couples to the electrostatic surface cyclotron wave (which allows the normal mode to be excited and observed using external electrodes). Numerical results predicting the mode spectra, using a novel linear Vlasov code on a cylindrical grid, are presented and compared to an analytical Wentzel Kramers Brillouin (WKB) theory. A previous version of the theory [D. H. E. Dubin, Phys. Plasmas 20(4), 042120 (2013)] expanded the plasma response in powers of 1/B, approximating the local upper hybrid frequency, and consequently, its frequency predictions are spuriously shifted with respect to the numerical results presented here. A new version of the WKB theory avoids this approximation using the exact cold fluid plasma response and does a better job of reproducing the numerical frequency spectrum. The effect of multiple ion species on the mode spectrum is also considered, to make contact with experiments that observe cyclotron modes in a multi-species pure ion plasma [M. Affolter et al., Phys. Plasmas 22(5), 055701 (2015)].

Mode-specific tunneling using the Qim path: theory and an application to full-dimensional malonaldehyde.

PubMed

Wang, Yimin; Bowman, Joel M

2013-10-21

We present a theory of mode-specific tunneling that makes use of the general tunneling path along the imaginary-frequency normal mode of the saddle point, Qim, and the associated relaxed potential, V(Qim) [Y. Wang and J. M. Bowman, J. Chem. Phys. 129, 121103 (2008)]. The novel aspect of the theory is the projection of the normal modes of a minimum onto the Qim path and the determination of turning points on V(Qim). From that projection, the change in tunneling upon mode excitation can be calculated. If the projection is zero, no enhancement of tunneling is predicted. In that case vibrationally adiabatic (VA) theory could apply. However, if the projection is large then VA theory is not applicable. The approach is applied to mode-specific tunneling in full-dimensional malonaldehyde, using an accurate full-dimensional potential energy surface. Results are in semi-quantitative agreement with experiment for modes that show large enhancement of the tunneling, relative to the ground state tunneling splitting. For the six out-of-plane modes, which have zero projection on the planar Qim path, VA theory does apply, and results from that theory agree qualitatively and even semi-quantitatively with experiment. We also verify the failure of simple VA theory for modes that show large enhancement of tunneling.

Novel Linac Structures For Low-Beta Ions And For Muons

NASA Astrophysics Data System (ADS)

Kurennoy, Sergey S.

2011-06-01

Development of two innovative linacs is discussed. (1) High-efficiency normal-conducting accelerating structures for ions with beam velocities in the range of a few percent of the speed of light. Two existing accelerator technologies—the H-mode resonator cavities and transverse beam focusing by permanent-magnet quadrupoles (PMQ)—are merged to create efficient structures for light-ion beams of considerable currents. The inter-digital H-mode accelerator with PMQ focusing (IH-PMQ) has the shunt impedance 10-20 times higher than the standard drift-tube linac. Results of the combined 3-D modeling for an IH-PMQ accelerator tank—electromagnetic computations, beam-dynamics simulations, and thermal-stress analysis—are presented. H-PMQ structures following a short RFQ accelerator can be used in the front end of ion linacs or in stand-alone applications like a compact mobile deuteron-beam accelerator up to a few MeV. (2) A large-acceptance high-gradient linac for accelerating low-energy muons in a strong solenoidal magnetic field. When a proton beam hits a target, many low-energy pions are produced almost isotropically, in addition to a small number of high-energy pions in the forward direction. We propose to collect and accelerate copious muons created as the low-energy pions decay. The acceleration should bring muons to a kinetic energy of ˜200 MeV in about 10 m, where both an ionization cooling of the muon beam and its further acceleration in a superconducting linac become feasible. One potential solution is a normal-conducting linac consisting of independently fed 0-mode RF cavities with wide apertures closed by thin metal windows or grids. The guiding magnetic field is provided by external superconducting solenoids. The cavity choice, overall linac design considerations, and simulation results of muon acceleration are presented. Potential applications range from basic research to homeland defense to industry and medicine.

aCLIMAX 4.0.1, The new version of the software for analyzing and interpreting INS spectra

NASA Astrophysics Data System (ADS)

Ramirez-Cuesta, A. J.

2004-03-01

In Inelastic Neutron Scattering Spectroscopy, the neutron scattering intensity is plotted versus neutron energy loss giving a spectrum that looks like an infrared or a Raman spectrum. Unlike IR or Raman, INS does not have selection rules, i.e. all transitions are in principle observable. This particular characteristic makes INS a test bed for Density Functional Theory calculations of vibrational modes. aCLIMAX is the first user friendly program, within the Windows environment, that uses the output of normal modes to generate the calculated INS of the model molecule, making a lot easier to establish a connection between theory and experiment. Program summaryTitle of program: aCLIMAX 4.0.1 Catalogue identifier: ADSW Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADSW Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Operating systems: Windows 95 onwards, except Windows ME where it does not work Programming language used: Visual Basic Memory requirements: 64 MB No. of processors: 1 Has the code been parallelized: No No. of bytes in distributed program, including test data, etc.: 2 432 775 No. of lines in distributed program, including test data, etc.: 17 998 Distribution format: tar gzip file Nature of physical problem: Calculation of the Inelastic Neutron Scattering Spectra from DFT calculations of the vibrational density of states for molecules. Method of solution: INS spectral intensity calculated from normal modes analysis. Isolated molecule approximation. Typical time of running: From few seconds to few minutes depending on the size of the molecule. Unusual features of the program: Special care has to be taken in the case of computers that have different regional options than the English speaking countries, the decimal separator has to be set as "." (dot) instead of the usual "," (comma) that most countries use.

Use of Simpson's method of disc to detect early echocardiographic changes in Doberman Pinschers with dilated cardiomyopathy.

PubMed

Wess, G; Mäurer, J; Simak, J; Hartmann, K

2010-01-01

M-mode is the echocardiographic gold standard to diagnose dilated cardiomyopathy (DCM) in dogs, whereas Simpson's method of discs (SMOD) is the preferred method to detect echocardiographic evidence of disease in humans. To establish reference values for SMOD and to compare those with M-mode measurements. Nine hundred and sixty-nine examinations of 471 Doberman Pinschers. Using a prospective longitudinal study design. Reference values for SMOD were established using 75 healthy Doberman Pinschers >8 years old with <50 ventricular premature contractions (VPCs) in 24 hours. The ability of the new SMOD cut-off values, normalized to body surface area (BSA), for left ventricular end-diastolic volume (LVEDV/BSA >95mL/m(2) ) and end-systolic volume (LVESV/BSA > 55mL/m(2) ) to detect echocardiographic changes in Doberman Pinschers with DCM was compared with currently recommended M-mode values. Dogs with elevated SMOD values but normal M-mode measurements were followed-up using a prospective longitudinal study design. At the final examination 175 dogs were diagnosed with DCM according to both methods (M-mode and SMOD). At previous examinations, M-mode values were abnormal in 142 examinations only, whereas all 175 SMOD already had detected changes. Additionally, 19 of 154 dogs with >100 VPCs/24 hours and normal M-mode values had abnormal SMOD measurement. Six dogs with increased SMOD measurements remained healthy at several follow-up examinations (classified as false positive); in 24 dogs with increased SMOD measurements, no follow-up examinations were available (classified as unclear). SMOD measurements are superior to M-mode to detect early echocardiographic changes in Dobermans with occult DCM. Copyright © 2010 by the American College of Veterinary Internal Medicine.

Dynamic Characteristics of Micro-Beams Considering the Effect of Flexible Supports

PubMed Central

Zhong, Zuo-Yang; Zhang, Wen-Ming; Meng, Guang

2013-01-01

Normally, the boundaries are assumed to allow small deflections and moments for MEMS beams with flexible supports. The non-ideal boundary conditions have a significant effect on the qualitative dynamical behavior. In this paper, by employing the principle of energy equivalence, rigorous theoretical solutions of the tangential and rotational equivalent stiffness are derived based on the Boussinesq's and Cerruti's displacement equations. The non-dimensional differential partial equation of the motion, as well as coupled boundary conditions, are solved analytically using the method of multiple time scales. The closed-form solution provides a direct insight into the relationship between the boundary conditions and vibration characteristics of the dynamic system, in which resonance frequencies increase with the nonlinear mechanical spring effect but decrease with the effect of flexible supports. The obtained results of frequencies and mode shapes are compared with the cases of ideal boundary conditions, and the differences between them are contrasted on frequency response curves. The influences of the support material property on the equivalent stiffness and resonance frequency shift are also discussed. It is demonstrated that the proposed model with the flexible supports boundary conditions has significant effect on the rigorous quantitative dynamical analysis of the MEMS beams. Moreover, the proposed analytical solutions are in good agreement with those obtained from finite element analyses.

Potential-based and non-potential-based cohesive zone formulations under mixed-mode separation and over-closure-Part II: Finite element applications

NASA Astrophysics Data System (ADS)

Máirtín, Éamonn Ó.; Parry, Guillaume; Beltz, Glenn E.; McGarry, J. Patrick

2014-02-01

This paper, the second of two parts, presents three novel finite element case studies to demonstrate the importance of normal-tangential coupling in cohesive zone models (CZMs) for the prediction of mixed-mode interface debonding. Specifically, four new CZMs proposed in Part I of this study are implemented, namely the potential-based MP model and the non-potential-based NP1, NP2 and SMC models. For comparison, simulations are also performed for the well established potential-based Xu-Needleman (XN) model and the non-potential-based model of van den Bosch, Schreurs and Geers (BSG model). Case study 1: Debonding and rebonding of a biological cell from a cyclically deforming silicone substrate is simulated when the mode II work of separation is higher than the mode I work of separation at the cell-substrate interface. An active formulation for the contractility and remodelling of the cell cytoskeleton is implemented. It is demonstrated that when the XN potential function is used at the cell-substrate interface repulsive normal tractions are computed, preventing rebonding of significant regions of the cell to the substrate. In contrast, the proposed MP potential function at the cell-substrate interface results in negligible repulsive normal tractions, allowing for the prediction of experimentally observed patterns of cell cytoskeletal remodelling. Case study 2: Buckling of a coating from the compressive surface of a stent is simulated. It is demonstrated that during expansion of the stent the coating is initially compressed into the stent surface, while simultaneously undergoing tangential (shear) tractions at the coating-stent interface. It is demonstrated that when either the proposed NP1 or NP2 model is implemented at the stent-coating interface mixed-mode over-closure is correctly penalised. Further expansion of the stent results in the prediction of significant buckling of the coating from the stent surface, as observed experimentally. In contrast, the BSG model does not correctly penalise mixed-mode over-closure at the stent-coating interface, significantly altering the stress state in the coating and preventing the prediction of buckling. Case study 3: Application of a displacement to the base of a bi-layered composite arch results in a symmetric sinusoidal distribution of normal and tangential traction at the arch interface. The traction defined mode mixity at the interface ranges from pure mode II at the base of the arch to pure mode I at the top of the arch. It is demonstrated that predicted debonding patterns are highly sensitive to normal-tangential coupling terms in a CZM. The NP2, XN, and BSG models exhibit a strong bias towards mode I separation at the top of the arch, while the NP1 model exhibits a bias towards mode II debonding at the base of the arch. Only the SMC model provides mode-independent behaviour in the early stages of debonding. This case study provides a practical example of the importance of the behaviour of CZMs under conditions of traction controlled mode mixity, following from the theoretical analysis presented in Part I of this study.

CroFab reconstitution in various media: an in vitro solubility study.

PubMed

Vohra, Rais; Clark, Rick; Kelner, Michael

2008-11-01

We investigated the solubility of Crotalidae Polyvalent Ovine Immune Fab antivenom (CroFab, Savage Labs and Protherics Inc., Brentwood, TN, USA) in solutions not listed in the Food and Drug Administration (FDA)-approved product package insert. We also assessed whether adsorption to plastic tubing occurs with CroFab preparations. Nine vials of expired CroFab were divided into three groups according to the solution used for reconstitution. Assignment to the solution groups of normal saline, lactated Ringer's solution, or half-normal saline (NS, LR, 1/2NS) was blinded. The antivenom was diluted to a final volume of 75 mL of test solution. Protein concentration was measured after reconstitution, after storage at 4-6 degrees C for 4 h, and after passage through plastic intravenous (IV) tubing. Higher measured protein yields were noted when half-normal saline was used in comparison with normal saline at each step of the study. Lactated Ringer's solution yielded higher protein concentrations than normal saline only at one out of the three measurement steps. There was no adsorption effect when CroFab was infused through plastic IV tubing. These data suggest that CroFab is slightly more soluble in the hypotonic solution we tested, and the amounts of measured antivenom did not diminish after 4 h of refrigeration or passage through plastic tubing. Our study may be of relevance when clinicians or pharmacists mix CroFab into non-standard solutions.

Measurements and Analysis of Reverberation, Target Echo, and Clutter

DTIC Science & Technology

2007-09-30

for Problem 11 (isospeed water). Beyond a few seconds there is excellent agreement between the normal mode (NOGRP and CSNAP), ray (SAFFIRE), and energy...the reverberation, so energy flux or ray -based models are more realistic. More detailed analysis is being developed for a journal paper. 3...comparison of ray , normal-mode, and energy flux results for reverberation in a Pekeris waveguide,” to be presented at special session on Underwater

Probable autosomal recessive Marfan syndrome.

PubMed Central

Fried, K; Krakowsky, D

1977-01-01

A probable autosomal recessive mode of inheritance is described in a family with two affected sisters. The sisters showed the typical picture of Marfan syndrome and were of normal intelligence. Both parents and all four grandparents were personally examined and found to be normal. Homocystinuria was ruled out on repeated examinations. This family suggests genetic heterogeneity in Marfan syndrome and that in some rare families the mode of inheritance may be autosomal recessive. Images PMID:592353

Analytical and Experimental Random Vibration of Nonlinear Aeroelastic Structures.

DTIC Science & Technology

1987-01-28

firstorder differential equations. In view of the system complexi- ty an attempt s made to close the infinite hierarchy by using a Gaussian scheme. This sc...year of this project-. When the first normal mode is externally excited by a band-limited random excitation, the system mean square response is found...governed mainly by the internal detuning parameter and the system damping ratios. The results are completely different when the second normal mode is

Fault detection and diagnosis using neural network approaches

NASA Technical Reports Server (NTRS)

Kramer, Mark A.

1992-01-01

Neural networks can be used to detect and identify abnormalities in real-time process data. Two basic approaches can be used, the first based on training networks using data representing both normal and abnormal modes of process behavior, and the second based on statistical characterization of the normal mode only. Given data representative of process faults, radial basis function networks can effectively identify failures. This approach is often limited by the lack of fault data, but can be facilitated by process simulation. The second approach employs elliptical and radial basis function neural networks and other models to learn the statistical distributions of process observables under normal conditions. Analytical models of failure modes can then be applied in combination with the neural network models to identify faults. Special methods can be applied to compensate for sensor failures, to produce real-time estimation of missing or failed sensors based on the correlations codified in the neural network.

Normal Modes Expose Active Sites in Enzymes.

PubMed

Glantz-Gashai, Yitav; Meirson, Tomer; Samson, Abraham O

2016-12-01

Accurate prediction of active sites is an important tool in bioinformatics. Here we present an improved structure based technique to expose active sites that is based on large changes of solvent accessibility accompanying normal mode dynamics. The technique which detects EXPOsure of active SITes through normal modEs is named EXPOSITE. The technique is trained using a small 133 enzyme dataset and tested using a large 845 enzyme dataset, both with known active site residues. EXPOSITE is also tested in a benchmark protein ligand dataset (PLD) comprising 48 proteins with and without bound ligands. EXPOSITE is shown to successfully locate the active site in most instances, and is found to be more accurate than other structure-based techniques. Interestingly, in several instances, the active site does not correspond to the largest pocket. EXPOSITE is advantageous due to its high precision and paves the way for structure based prediction of active site in enzymes.

Normal Modes Expose Active Sites in Enzymes

PubMed Central

Glantz-Gashai, Yitav; Samson, Abraham O.

2016-01-01

Accurate prediction of active sites is an important tool in bioinformatics. Here we present an improved structure based technique to expose active sites that is based on large changes of solvent accessibility accompanying normal mode dynamics. The technique which detects EXPOsure of active SITes through normal modEs is named EXPOSITE. The technique is trained using a small 133 enzyme dataset and tested using a large 845 enzyme dataset, both with known active site residues. EXPOSITE is also tested in a benchmark protein ligand dataset (PLD) comprising 48 proteins with and without bound ligands. EXPOSITE is shown to successfully locate the active site in most instances, and is found to be more accurate than other structure-based techniques. Interestingly, in several instances, the active site does not correspond to the largest pocket. EXPOSITE is advantageous due to its high precision and paves the way for structure based prediction of active site in enzymes. PMID:28002427

Density and spin modes in imbalanced normal Fermi gases from collisionless to hydrodynamic regime

NASA Astrophysics Data System (ADS)

Narushima, Masato; Watabe, Shohei; Nikuni, Tetsuro

2018-03-01

We study the mass- and population-imbalance effect on density (in-phase) and spin (out-of-phase) collective modes in a two-component normal Fermi gas. By calculating the eigenmodes of the linearized Boltzmann equation as well as the density/spin dynamic structure factor, we show that mass- and population-imbalance effects offer a variety of collective mode crossover behaviors from collisionless to hydrodynamic regimes. The mass-imbalance effect shifts the crossover regime to the higher-temperature, and a significant peak of the spin dynamic structure factor emerges only in the collisionless regime. This is in contrast to the case of mass- and population-balanced normal Fermi gases, where the spin dynamic response is always absent. Although the population-imbalance effect does not shift the crossover regime, the spin dynamic structure factor survives both in the collisionless and hydrodynamic regimes.

Experimental observation of different soliton types in a net-normal group-dispersion fiber laser.

PubMed

Feng, Zhongyao; Rong, Qiangzhou; Qiao, Xueguang; Shao, Zhihua; Su, Dan

2014-09-20

Different soliton types are observed in a net-normal group-dispersion fiber laser based on nonlinear polarization rotation for passive mode locking. The proposed laser can deliver a dispersion-managed soliton, typical dissipation solitons, and a quasi-harmonic mode-locked pulse, a soliton bundle, and especially a dark pulse by only appropriately adjusting the linear cavity phase delay bias using one polarization controller at the fixed pump power. These nonlinear waves show different features, including the spectral shapes and time traces. The experimental observations show that the five soliton types could exist in the same laser cavity, which implies that integrable systems, dissipative systems, and dark pulse regimes can transfer and be switched in a passively mode-locked laser. Our studies not only verify the numeral simulation of the different soliton-types formation in a net-normal group-dispersion operation but also provide insight into Ginzburg-Landau equation systems.

High-frequency Born synthetic seismograms based on coupled normal modes

USGS Publications Warehouse

Pollitz, Fred F.

2011-01-01

High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ∼4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD).

Telephone-quality pathological speech classification using empirical mode decomposition.

PubMed

Kaleem, M F; Ghoraani, B; Guergachi, A; Krishnan, S

2011-01-01

This paper presents a computationally simple and effective methodology based on empirical mode decomposition (EMD) for classification of telephone quality normal and pathological speech signals. EMD is used to decompose continuous normal and pathological speech signals into intrinsic mode functions, which are analyzed to extract physically meaningful and unique temporal and spectral features. Using continuous speech samples from a database of 51 normal and 161 pathological speakers, which has been modified to simulate telephone quality speech under different levels of noise, a linear classifier is used with the feature vector thus obtained to obtain a high classification accuracy, thereby demonstrating the effectiveness of the methodology. The classification accuracy reported in this paper (89.7% for signal-to-noise ratio 30 dB) is a significant improvement over previously reported results for the same task, and demonstrates the utility of our methodology for cost-effective remote voice pathology assessment over telephone channels.

Breaking Through the Multi-Mesa-Channel Width Limited of Normally Off GaN HEMTs Through Modulation of the Via-Hole-Length.

PubMed

Chien, Cheng-Yen; Wu, Wen-Hsin; You, Yao-Hong; Lin, Jun-Huei; Lee, Chia-Yu; Hsu, Wen-Ching; Kuan, Chieh-Hsiung; Lin, Ray-Ming

2017-12-01

We present new normally off GaN high-electron-mobility transistors (HEMTs) that overcome the typical limitations in multi-mesa-channel (MMC) width through modulation of the via-hole-length to regulate the charge neutrality screen effect. We have prepared enhancement-mode (E-mode) GaN HEMTs having widths of up to 300 nm, based on an enhanced surface pinning effect. E-mode GaN HEMTs having MMC structures and widths as well as via-hole-lengths of 100 nm/2 μm and 300 nm/6 μm, respectively, exhibited positive threshold voltages (V th ) of 0.79 and 0.46 V, respectively. The on-resistances of the MMC and via-hole-length structures were lower than those of typical tri-gate nanoribbon GaN HEMTs. In addition, the devices not only achieved the E-mode but also improved the power performance of the GaN HEMTs and effectively mitigated the device thermal effect. We controlled the via-hole-length sidewall surface pinning effect to obtain the E-mode GaN HEMTs. Our findings suggest that via-hole-length normally off GaN HEMTs have great potential for use in next-generation power electronics.

Holography, black holes and condensed matter physics

NASA Astrophysics Data System (ADS)

Gentle, Simon Adam

In this thesis we employ holographic techniques to explore strongly-coupled quantum field theories at non-zero temperature and density. First we consider a state dual to a charged black hole with planar horizon and compute retarded Green's functions for conserved currents in the shear channel. We demonstrate the intricate motion of their poles and stress the importance of the residues at the poles beyond the hydrodynamic regime. We then explore the collective excitations of holographic quantum liquids arising on D3/D5 and D3/D7 brane intersections as a function of temperature and magnetic field in the probe limit. We observe a crossover from hydrodynamic charge diffusion to a sound mode similar to the zero sound mode in the collisionless regime of a Landau Fermi liquid. The location of this crossover is approximately independent of the magnetic field. The sound mode has a gap proportional to the magnetic field, leading to strong suppression of spectral weight for intermediate frequencies and sufficiently large magnetic fields. In the second part we explore the solution space of AdS gravity in the hope of learning general lessons about such theories. First we study charged scalar solitons in global AdS4. These solutions have a rich phase space and exhibit critical behaviour as a function of the scalar charge and scalar boundary conditions. We demonstrate how the planar limit of global solitons coincides generically with the zero-temperature limit of black branes with charged scalar hair. We exhibit these features in both phenomenological models and consistent truncations of eleven-dimensional supergravity. We then discover new branches of hairy black brane in SO(6) gauged supergravity. Despite the imbalance provided by three chemical potentials conjugate to the three R-charges, there is always at least one branch with charged scalar hair, emerging at a temperature where the normal phase is locally thermodynamically stable.

Massive graviton geons

NASA Astrophysics Data System (ADS)

Aoki, Katsuki; Maeda, Kei-ichi; Misonoh, Yosuke; Okawa, Hirotada

2018-02-01

We find vacuum solutions such that massive gravitons are confined in a local spacetime region by their gravitational energy in asymptotically flat spacetimes in the context of the bigravity theory. We call such self-gravitating objects massive graviton geons. The basic equations can be reduced to the Schrödinger-Poisson equations with the tensor "wave function" in the Newtonian limit. We obtain a nonspherically symmetric solution with j =2 , ℓ=0 as well as a spherically symmetric solution with j =0 , ℓ=2 in this system where j is the total angular momentum quantum number and ℓ is the orbital angular momentum quantum number, respectively. The energy eigenvalue of the Schrödinger equation in the nonspherical solution is smaller than that in the spherical solution. We then study the perturbative stability of the spherical solution and find that there is an unstable mode in the quadrupole mode perturbations which may be interpreted as the transition mode to the nonspherical solution. The results suggest that the nonspherically symmetric solution is the ground state of the massive graviton geon. The massive graviton geons may decay in time due to emissions of gravitational waves but this timescale can be quite long when the massive gravitons are nonrelativistic and then the geons can be long-lived. We also argue possible prospects of the massive graviton geons: applications to the ultralight dark matter scenario, nonlinear (in)stability of the Minkowski spacetime, and a quantum transition of the spacetime.

Free and forced Rossby normal modes in a rectangular gulf of arbitrary orientation

NASA Astrophysics Data System (ADS)

Graef, Federico

2016-09-01

A free Rossby normal mode in a rectangular gulf of arbitrary orientation is constructed by considering the reflection of a Rossby mode in a channel at the head of the gulf. Therefore, it is the superposition of four Rossby waves in an otherwise unbounded ocean with the same frequency and wavenumbers perpendicular to the gulf axis whose difference is equal to 2mπ/W, where m is a positive integer and W the gulf's width. The lower (or higher) modes with small m (or large m) are oscillatory (evanescent) in the coordinate along the gulf; these are elucidated geometrically. However for oceanographically realistic parameter values, most of the modes are evanescent. When the gulf is forced at the mouth with a single Fourier component, the response is in general an infinite sum of modes that are needed to match the value of the streamfunction at the gulf's entrance. The dominant mode of the response is the resonant one, which corresponds to forcing with a frequency ω and wavenumber normal to the gulf axis η appropriate to a gulf mode: η =- β sin α/(2ω) ± Mπ/W, where α is the angle between the gulf's axis and the eastern direction (+ve clockwise) and M the resonant's mode number. For zonal gulfs ω drops out of the resonance condition. For the special cases η = 0 in which the free surface goes up and down at the mouth with no flow through it, or a flow with a sinusoidal profile, resonant modes can get excited for very specific frequencies (only for non-zonal gulfs in the η = 0 case). The resonant mode is around the annual frequency for a wide range of gulf orientations α ∈ [40°, 130°] or α ∈ [220°, 310°] and gulf widths between 150 and 200 km; these include the Gulf of California and the Adriatic Sea. If η is imaginary, i.e. a flow with an exponential profile, there is no resonance. In general less modes get excited if the gulf is zonally oriented.

Scalar perturbations of nonsingular nonrotating black holes in conformal gravity

NASA Astrophysics Data System (ADS)

Toshmatov, Bobir; Bambi, Cosimo; Ahmedov, Bobomurat; Stuchlík, Zdeněk; Schee, Jan

2017-09-01

We study scalar and electromagnetic perturbations of a family of nonsingular nonrotating black hole spacetimes that are solutions in a large class of conformally invariant theories of gravity. The effective potential for scalar perturbations depends on the exact form of the scaling factor. Electromagnetic perturbations do not feel the scaling factor, and the corresponding quasinormal mode spectrum is the same as in the Schwarzschild metric. We find that these black hole metrics are stable under scalar and electromagnetic perturbations. Assuming that the quasinormal mode spectrum for scalar perturbations is not too different from that for gravitational perturbations, we can expect that the calculation of the quasinormal mode spectrum and the observation with gravitational wave detectors of quasinormal modes from astrophysical black holes can constrain the scaling factor and test these solutions.

Phase shift of TE and TM modes in an optical fiber due to axial strain (exact solution)

NASA Technical Reports Server (NTRS)

Egalon, Claudio O.; Rogowski, Robert S.

1992-01-01

Axial strain may be determined by monitoring the phase shift of modes of a variety of optical fiber sensors. In this paper, the exact solution of a circular optical fiber is used to calculate the phase shift of the TE and TM modes. Whenever an optical fiber is stressed, the optical path length, the index of refraction, and the propagation constants of each fiber mode change. In consequence, the modal phase term, beta(ln)z, of the fields is shifted by an amount Delta phi. In certain cases, it is desirable to control the phase shift term in order to make the fiber either more or less sensitive to certain kinds of strain. It is shown that it can be accomplished by choosing appropriate fiber parameters.

Reduction of timing jitter and intensity noise in normal-dispersion passively mode-locked fiber lasers by narrow band-pass filtering.

PubMed

Qin, Peng; Song, Youjian; Kim, Hyoji; Shin, Junho; Kwon, Dohyeon; Hu, Minglie; Wang, Chingyue; Kim, Jungwon

2014-11-17

Fiber lasers mode-locked with normal cavity dispersion have recently attracted great attention due to large output pulse energy and femtosecond pulse duration. Here we accurately characterized the timing jitter of normal-dispersion fiber lasers using a balanced cross-correlation method. The timing jitter characterization experiments show that the timing jitter of normal-dispersion mode-locked fiber lasers can be significantly reduced by using narrow band-pass filtering (e.g., 7-nm bandwidth filtering in this work). We further identify that the timing jitter of the fiber laser is confined in a limited range, which is almost independent of cavity dispersion map due to the amplifier-similariton formation by insertion of the narrow bandpass filter. The lowest observed timing jitter reaches 0.57 fs (rms) integrated from 10 kHz to 10 MHz Fourier frequency. The rms relative intensity noise (RIN) is also reduced from 0.37% to 0.02% (integrated from 1 kHz to 5 MHz Fourier frequency) by the insertion of narrow band-pass filter.

Construction of normal-regular decisions of Bessel typed special system

NASA Astrophysics Data System (ADS)

Tasmambetov, Zhaksylyk N.; Talipova, Meiramgul Zh.

2017-09-01

Studying a special system of differential equations in the separate production of the second order is solved by the degenerate hypergeometric function reducing to the Bessel functions of two variables. To construct a solution of this system near regular and irregular singularities, we use the method of Frobenius-Latysheva applying the concepts of rank and antirank. There is proved the basic theorem that establishes the existence of four linearly independent solutions of studying system type of Bessel. To prove the existence of normal-regular solutions we establish necessary conditions for the existence of such solutions. The existence and convergence of a normally regular solution are shown using the notion of rank and antirank.

Modeling guided wave excitation in plates with surface mounted piezoelectric elements: coupled physics and normal mode expansion

NASA Astrophysics Data System (ADS)

Ren, Baiyang; Lissenden, Cliff J.

2018-04-01

Guided waves have been extensively studied and widely used for structural health monitoring because of their large volumetric coverage and good sensitivity to defects. Effectively and preferentially exciting a desired wave mode having good sensitivity to a certain defect is of great practical importance. Piezoelectric discs and plates are the most common types of surface-mounted transducers for guided wave excitation and reception. Their geometry strongly influences the proportioning between excited modes as well as the total power of the excited modes. It is highly desirable to predominantly excite the selected mode while the total transduction power is maximized. In this work, a fully coupled multi-physics finite element analysis, which incorporates the driving circuit, the piezoelectric element and the wave guide, is combined with the normal mode expansion method to study both the mode tuning and total wave power. The excitation of circular crested waves in an aluminum plate with circular piezoelectric discs is numerically studied for different disc and adhesive thicknesses. Additionally, the excitation of plane waves in an aluminum plate, using a stripe piezoelectric element is studied both numerically and experimentally. It is difficult to achieve predominant single mode excitation as well as maximum power transmission simultaneously, especially for higher order modes. However, guidelines for designing the geometry of piezoelectric elements for optimal mode excitation are recommended.

Bio rapid prototyping by extruding/aspirating/refilling thermoreversible hydrogel.

PubMed

Iwami, K; Noda, T; Ishida, K; Morishima, K; Nakamura, M; Umeda, N

2010-03-01

This paper reports a method for rapid prototyping of cell tissues, which is based on a system that extrudes, aspirates and refills a mixture of cells and thermoreversible hydrogel as a scaffold. In the extruding mode, a cell-mixed scaffold solution in the sol state is extruded from a cooled micronozzle into a temperature-controlled substrate, which keeps the scaffold in the gel state. In the aspiration mode, the opposite process is performed by Bernoulli suction. In the refilling mode, the solution is extruded into a groove created in the aspiration mode. The minimum width of extruded hydrogel pattern is 114 +/- 15 microm by employing a nozzle of diameter 100 microm, and that of aspirated groove was 355 +/- 10 microm using a 500 microm-diameter nozzle. Gum arabic is mixed with the scaffold solution to avoid peeling-off of the gel pattern from the substrate. Patterning of Sf-9 cell tissue is demonstrated, and the stability of the patterned cell is investigated. This system offers a procedure for rapid prototyping and local modification of cell scaffolds for tissue engineering.

Coupled harmonic oscillators and their quantum entanglement.

PubMed

Makarov, Dmitry N

2018-04-01

A system of two coupled quantum harmonic oscillators with the Hamiltonian H[over ̂]=1/2(1/m_{1}p[over ̂]_{1}^{2}+1/m_{2}p[over ̂]_{2}^{2}+Ax_{1}^{2}+Bx_{2}^{2}+Cx_{1}x_{2}) can be found in many applications of quantum and nonlinear physics, molecular chemistry, and biophysics. The stationary wave function of such a system is known, but its use for the analysis of quantum entanglement is complicated because of the complexity of computing the Schmidt modes. Moreover, there is no exact analytical solution to the nonstationary Schrodinger equation H[over ̂]Ψ=iℏ∂Ψ/∂t and Schmidt modes for such a dynamic system. In this paper we find a solution to the nonstationary Schrodinger equation; we also find in an analytical form a solution to the Schmidt mode for both stationary and dynamic problems. On the basis of the Schmidt modes, the quantum entanglement of the system under consideration is analyzed. It is shown that for certain parameters of the system, quantum entanglement can be very large.

Coupled harmonic oscillators and their quantum entanglement

NASA Astrophysics Data System (ADS)

Makarov, Dmitry N.

2018-04-01

A system of two coupled quantum harmonic oscillators with the Hamiltonian H ̂=1/2 (1/m1p̂1 2+1/m2p̂2 2+A x12+B x22+C x1x2) can be found in many applications of quantum and nonlinear physics, molecular chemistry, and biophysics. The stationary wave function of such a system is known, but its use for the analysis of quantum entanglement is complicated because of the complexity of computing the Schmidt modes. Moreover, there is no exact analytical solution to the nonstationary Schrodinger equation H ̂Ψ =i ℏ ∂/Ψ ∂ t and Schmidt modes for such a dynamic system. In this paper we find a solution to the nonstationary Schrodinger equation; we also find in an analytical form a solution to the Schmidt mode for both stationary and dynamic problems. On the basis of the Schmidt modes, the quantum entanglement of the system under consideration is analyzed. It is shown that for certain parameters of the system, quantum entanglement can be very large.

A mixed-mode crack analysis of rectilinear anisotropic solids using conservation laws of elasticity

NASA Technical Reports Server (NTRS)

Wang, S. S.; Yau, J. F.; Corten, H. T.

1980-01-01

A very simple and convenient method of analysis for studying two-dimensional mixed-mode crack problems in rectilinear anisotropic solids is presented. The analysis is formulated on the basis of conservation laws of anisotropic elasticity and of fundamental relationships in anisotropic fracture mechanics. The problem is reduced to a system of linear algebraic equations in mixed-mode stress intensity factors. One of the salient features of the present approach is that it can determine directly the mixed-mode stress intensity solutions from the conservation integrals evaluated along a path removed from the crack-tip region without the need of solving the corresponding complex near-field boundary value problem. Several examples with solutions available in the literature are solved to ensure the accuracy of the current analysis. This method is further demonstrated to be superior to other approaches in its numerical simplicity and computational efficiency. Solutions of more complicated and practical engineering problems dealing with the crack emanating from a circular hole in composites are presented also to illustrate the capacity of this method.

Compressed modes for variational problems in mathematics and physics

PubMed Central

Ozoliņš, Vidvuds; Lai, Rongjie; Caflisch, Russel; Osher, Stanley

2013-01-01

This article describes a general formalism for obtaining spatially localized (“sparse”) solutions to a class of problems in mathematical physics, which can be recast as variational optimization problems, such as the important case of Schrödinger’s equation in quantum mechanics. Sparsity is achieved by adding an regularization term to the variational principle, which is shown to yield solutions with compact support (“compressed modes”). Linear combinations of these modes approximate the eigenvalue spectrum and eigenfunctions in a systematically improvable manner, and the localization properties of compressed modes make them an attractive choice for use with efficient numerical algorithms that scale linearly with the problem size. PMID:24170861

Raman spectroscopic investigation of thorium dioxide-uranium dioxide (ThO₂-UO₂) fuel materials.

PubMed

Rao, Rekha; Bhagat, R K; Salke, Nilesh P; Kumar, Arun

2014-01-01

Raman spectroscopic investigations were carried out on proposed nuclear fuel thorium dioxide-uranium dioxide (ThO2-UO2) solid solutions and simulated fuels based on ThO2-UO2. Raman spectra of ThO2-UO2 solid solutions exhibited two-mode behavior in the entire composition range. Variations in mode frequencies and relative intensities of Raman modes enabled estimation of composition, defects, and oxygen stoichiometry in these compounds that are essential for their application. The present study shows that Raman spectroscopy is a simple, promising analytical tool for nondestructive characterization of this important class of nuclear fuel materials.

Cortical Thinning in Network-Associated Regions in Cognitively Normal and Below-Normal Range Schizophrenia

PubMed Central

Pinnock, Farena; Parlar, Melissa; Hawco, Colin; Hanford, Lindsay; Hall, Geoffrey B.

2017-01-01

This study assessed whether cortical thickness across the brain and regionally in terms of the default mode, salience, and central executive networks differentiates schizophrenia patients and healthy controls with normal range or below-normal range cognitive performance. Cognitive normality was defined using the MATRICS Consensus Cognitive Battery (MCCB) composite score (T = 50 ± 10) and structural magnetic resonance imaging was used to generate cortical thickness data. Whole brain analysis revealed that cognitively normal range controls (n = 39) had greater cortical thickness than both cognitively normal (n = 17) and below-normal range (n = 49) patients. Cognitively normal controls also demonstrated greater thickness than patients in regions associated with the default mode and salience, but not central executive networks. No differences on any thickness measure were found between cognitively normal range and below-normal range controls (n = 24) or between cognitively normal and below-normal range patients. In addition, structural covariance between network regions was high and similar across subgroups. Positive and negative symptom severity did not correlate with thickness values. Cortical thinning across the brain and regionally in relation to the default and salience networks may index shared aspects of the psychotic psychopathology that defines schizophrenia with no relation to cognitive impairment. PMID:28348889

A new modal superposition method for nonlinear vibration analysis of structures using hybrid mode shapes

NASA Astrophysics Data System (ADS)

Ferhatoglu, Erhan; Cigeroglu, Ender; Özgüven, H. Nevzat

2018-07-01

In this paper, a new modal superposition method based on a hybrid mode shape concept is developed for the determination of steady state vibration response of nonlinear structures. The method is developed specifically for systems having nonlinearities where the stiffness of the system may take different limiting values. Stiffness variation of these nonlinear systems enables one to define different linear systems corresponding to each value of the limiting equivalent stiffness. Moreover, the response of the nonlinear system is bounded by the confinement of these linear systems. In this study, a modal superposition method utilizing novel hybrid mode shapes which are defined as linear combinations of the modal vectors of the limiting linear systems is proposed to determine periodic response of nonlinear systems. In this method the response of the nonlinear system is written in terms of hybrid modes instead of the modes of the underlying linear system. This provides decrease of the number of modes that should be retained for an accurate solution, which in turn reduces the number of nonlinear equations to be solved. In this way, computational time for response calculation is directly curtailed. In the solution, the equations of motion are converted to a set of nonlinear algebraic equations by using describing function approach, and the numerical solution is obtained by using Newton's method with arc-length continuation. The method developed is applied on two different systems: a lumped parameter model and a finite element model. Several case studies are performed and the accuracy and computational efficiency of the proposed modal superposition method with hybrid mode shapes are compared with those of the classical modal superposition method which utilizes the mode shapes of the underlying linear system.

A study of the vibrational modes of a nanostructure with picosecond ultrasonics

NASA Astrophysics Data System (ADS)

Antonelli, G. Andrew; Maris, Humphrey J.; Malhotra, Sandra G.; Harper, James M. E.

2002-05-01

We describe experiments in which a sub-picosecond pump light pulse is used to excite vibrations in a nanostructure. The sample consists of a periodic array of copper wires embedded in a glass matrix on a silicon substrate. The motion of the wires after excitation is detected using a time-delayed probe light pulse. From the data, it is possible to determine the frequencies νn and damping rates Γn of a number of the normal modes of the structure. These modes have frequencies lying in the range 1-30 GHz. By comparison of the measured νn and Γn with the frequencies and damping rates calculated from a computer simulation of the vibrations of the nanostructure, we have been able to identify the different normal modes and deduce their vibration patterns.

Sensor placement for diagnosability in space-borne systems - A model-based reasoning approach

NASA Technical Reports Server (NTRS)

Chien, Steve; Doyle, Richard; Rouquette, Nicolas

1992-01-01

This paper presents an approach to evaluating sensor placements on the basis of how well they are able to discriminate between a given fault and normal operating modes and/or other fault modes. In this approach, a model of the system in both normal operations and fault modes is used to evaluate possible sensor placements upon the basis of three criteria. Discriminability measures how much of a divergence in expected sensor readings the two system modes can be expected to produce. Accuracy measures confidence in the particular model predictions. Timeliness measures how long after the fault occurrence the expected divergence will take place. These three metrics then can be used to form a recommendation for a sensor placement. This paper describes how these measures can be computed and illustrated these methods with a brief example.

Pharmacokinetics of Maxing Shigan decoction in normal rats and RSV pneumonia model rats by HPLC-MS/MS.

PubMed

Jiang, Li; Gao, Meng; Qu, Fei; Li, Hui-lan; Yu, Lan-bin; Rao, Yi; Wang, Yue-sheng; Xu, Guo-liang

2015-07-01

To establish a LC-MS/MS method to determine the concentrations of liquiritin, glycyrrhizin, glycyrrhetinic acid, amygdalin, amygdalin prunasin, ephedrine, pseudoephedrine and methylephedrine of Maxing Shigan decoction in rat plasma, and study the differences on their pharmacokinetic process in normal rats and RSV pneumonia model rats. After normal rats and RSV pneumonia model rats were orally administered with Maxing Shigan decoction, the blood was collected from retinal vein plexus of different time points. Specifically, tetrahydropalmatine was taken as internal standard for determining ephedrine, while chloramphenicol was taken as internal standard for determining other components. After plasma samples were pre-treated as the above, the supernatant was dried with nitrogen blowing concentrator and then redissolved with methylalcohol. The chromatography was eluted with mobile phase consisted of acetonitrile and 0.1% formic acid solution in a gradient manner. ESI sources were adopted to scan ingredients in ephedra in a positive ion scanning mode and other ingredientsin a negative ion scanning mode. The multiple-reaction monitoring (MRM) method was developed the plasma concentration of each active component. The pharmacokinetic parameters of each group were calculated by using Win-Nonlin 4.1 software and put into the statistical analysis. The result showed the plasma concentration of the eight active ingredients, i.e., liquiritin, glycyrrhizin, glycyrrhetinic acid, amygdalin, amygdalin prunasin, ephedrine, pseudoephedrine and methylephedrine within the ranges of 1.04-1040, 1.04-1040, 0.89-445, 1.05-4200, 1.25-2490, 0.3-480, 0.3-480, 0.3-480 microg x L(-1), with a good linearity and satisfactory precision, recovery and stability in the above ingredients. After modeling, except for glycyrrhetinic acid whose pharmacokinetic parameters were lacked due to the data missing, all of the rest components showed significant higher Cmax, AUC(0-1) and lower clearance rate (CL) than that of the normal group, indicating the increase in absorption in rats in the pathological state by reducing the clearance rate. The method is accurate and sensitive and so can be used to determine the plasma concentrations of the eight active ingredients in Maxing Shigan decoction. RSV pneumonia-infected rats absorbed more ingredients in Maxing Shigan decoction.

Interaction and dispersion of waveguide modes in an optical fiber with microirregularities of the core surface

NASA Astrophysics Data System (ADS)

Zadorin, A. S.; Kruglov, R. S.; Surkova, G. A.

2012-08-01

A self-consistent linear model is proposed for the transformation of the average intensity of the mode spectrum I( z) of the waveguide field in a multimode optical fiber with a stepped refractive index profile and the core having a rough surface. The model is based on the concept of the intermodal dispersion matrix of an elementary segment of the fiber, ∆, whose elements characterize the mutual transfer of energy between the waveguide modes, as well as their conversion to radiation modes on the specified interval. On this basis, the features of the transformation of the mode spectrum I( z) in a multimode optical fiber with a stepped refractive index profile are considered that is due to the effects of multiple dispersion of the signal by the stochastic irregularities of the duct. The effect of self-filtering of I( z) is described that results in the formation of a stable (normalized) distribution I*. The features of the normalization of the radiative damping of a group of modes I i ( z) in an optical fiber are considered.

Scaling and interaction of self-similar modes in models of high Reynolds number wall turbulence.

PubMed

Sharma, A S; Moarref, R; McKeon, B J

2017-03-13

Previous work has established the usefulness of the resolvent operator that maps the terms nonlinear in the turbulent fluctuations to the fluctuations themselves. Further work has described the self-similarity of the resolvent arising from that of the mean velocity profile. The orthogonal modes provided by the resolvent analysis describe the wall-normal coherence of the motions and inherit that self-similarity. In this contribution, we present the implications of this similarity for the nonlinear interaction between modes with different scales and wall-normal locations. By considering the nonlinear interactions between modes, it is shown that much of the turbulence scaling behaviour in the logarithmic region can be determined from a single arbitrarily chosen reference plane. Thus, the geometric scaling of the modes is impressed upon the nonlinear interaction between modes. Implications of these observations on the self-sustaining mechanisms of wall turbulence, modelling and simulation are outlined.This article is part of the themed issue 'Toward the development of high-fidelity models of wall turbulence at large Reynolds number'. © 2017 The Author(s).

Perturbations and moduli space dynamics of tachyon kinks

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

Hindmarsh, Mark; Li Huiquan

2008-03-15

The dynamic process of unstable D-branes decaying into stable ones with one dimension lower can be described by a tachyon field with a Dirac-Born-Infeld effective action. In this paper we investigate the fluctuation modes of the tachyon field around a two-parameter family of static solutions representing an array of brane-antibrane pairs. Besides a pair of zero modes associated with the parameters of the solution, and instabilities associated with annihilation of the brane-antibrane pairs, we find states corresponding to excitations of the tachyon field around the brane and in the bulk. In the limit that the brane thickness tends to zero,more » the support of the eigenmodes is limited to the brane, consistent with the idea that propagating tachyon modes drop out of the spectrum as the tachyon field approaches its ground state. The zero modes, and other low-lying excited states, show a fourfold degeneracy in this limit, which can be identified with some of the massless superstring modes in the brane-antibrane system. Finally, we also discuss the slow motion of the solution corresponding to the decay process in the moduli space, finding a trajectory which oscillates periodically between the unstable D-brane and the brane-antibrane pairs of one dimension lower.« less

Fabrication and performance of PET mesh enhanced cellulose acetate membranes for forward osmosis.

PubMed

Li, Guoliang; Wang, Jun; Hou, Deyin; Bai, Yu; Liu, Huijuan

2016-07-01

Polyethylene terephthalate mesh (PET) enhanced cellulose acetate membranes were fabricated via a phase inversion process. The membrane fabrication parameters that may affect the membrane performance were systematically evaluated including the concentration and temperature of the casting polymer solution and the temperature and time of the evaporation, coagulation and annealing processes. The water permeability and reverse salt flux were measured in forward osmosis (FO) mode for determination of the optimal membrane fabrication conditions. The optimal FO membrane shows a typical asymmetric sandwich structure with a mean thickness of about 148.2μm. The performance of the optimal FO membrane was tested using 0.2mol/L NaCl as the feed solution and 1.5mol/L glucose as the draw solution. The membrane displayed a water flux of 3.47L/(m(2)·hr) and salt rejection of 95.48% in FO mode. While in pressure retarded osmosis (PRO) mode, the water flux was 4.74L/(m(2)·hr) and salt rejection 96.03%. The high ratio of water flux in FO mode to that in PRO mode indicates that the fabricated membrane has a lower degree of internal concentration polarization than comparable membranes. Copyright © 2016. Published by Elsevier B.V.

Low order models for uncertainty quantification in acoustic propagation problems

NASA Astrophysics Data System (ADS)

Millet, Christophe

2016-11-01

Long-range sound propagation problems are characterized by both a large number of length scales and a large number of normal modes. In the atmosphere, these modes are confined within waveguides causing the sound to propagate through multiple paths to the receiver. For uncertain atmospheres, the modes are described as random variables. Concise mathematical models and analysis reveal fundamental limitations in classical projection techniques due to different manifestations of the fact that modes that carry small variance can have important effects on the large variance modes. In the present study, we propose a systematic strategy for obtaining statistically accurate low order models. The normal modes are sorted in decreasing Sobol indices using asymptotic expansions, and the relevant modes are extracted using a modified iterative Krylov-based method. The statistics of acoustic signals are computed by decomposing the original pulse into a truncated sum of modal pulses that can be described by a stationary phase method. As the low-order acoustic model preserves the overall structure of waveforms under perturbations of the atmosphere, it can be applied to uncertainty quantification. The result of this study is a new algorithm which applies on the entire phase space of acoustic fields.

Numerical simulations of an elastica pendulum

NASA Astrophysics Data System (ADS)

Sinclair, R.

Folklore would have it that a massless clamped-free elastica undergoing planar motion with a point end mass possesses periodic solutions corresponding to a single mode of oscillation. We present a battery of numerical simulations leading to the single conclusion that these supposed periodic solutions do not exist, due to a strong nonlinear coupling of two modes, the frequency of one of which is apparently inversely proportional to the magnitude of the force acting on the elastica.

How Many Grid Points are Required for Time Accurate Simulations Scheme Selection and Scale-Discriminant Stabilization

DTIC Science & Technology

2015-11-24

spatial concerns: ¤ how well are gradients captured? (resolution requirement) spatial/temporal concerns: ¤ dispersion and dissipation error...distribution is unlimited. Gradient Capture vs. Resolution: Single Mode FFT: Solution/Derivative: Convergence: f x( )= sin(x) with x∈[0,2π ] df dx...distribution is unlimited. Gradient Capture vs. Resolution: 
 Multiple Modes FFT: Solution/Derivative: Convergence: 6 __ CD02 __ CD04 __ CD06

Explosive magnetorotational instability in Keplerian disks

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

Shtemler, Yu., E-mail: shtemler@bgu.ac.il; Liverts, E., E-mail: eliverts@bgu.ac.il; Mond, M., E-mail: mond@bgu.ac.il

Differentially rotating disks under the effect of axial magnetic field are prone to a nonlinear explosive magnetorotational instability (EMRI). The dynamic equations that govern the temporal evolution of the amplitudes of three weakly detuned resonantly interacting modes are derived. As distinct from exponential growth in the strict resonance triads, EMRI occurs due to the resonant interactions of an MRI mode with stable Alfvén–Coriolis and magnetosonic modes. Numerical solutions of the dynamic equations for amplitudes of a triad indicate that two types of perturbations behavior can be excited for resonance conditions: (i) EMRI which leads to infinite values of the threemore » amplitudes within a finite time, and (ii) bounded irregular oscillations of all three amplitudes. Asymptotic explicit solutions of the dynamic equations are obtained for EMRI regimes and are shown to match the numerical solutions near the explosion time.« less

Optical analogue of relativistic Dirac solitons in binary waveguide arrays

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

Tran, Truong X., E-mail: truong.tran@mpl.mpg.de; Max Planck Institute for the Science of Light, Günther-Scharowsky str. 1, 91058 Erlangen; Longhi, Stefano

2014-01-15

We study analytically and numerically an optical analogue of Dirac solitons in binary waveguide arrays in the presence of Kerr nonlinearity. Pseudo-relativistic soliton solutions of the coupled-mode equations describing dynamics in the array are analytically derived. We demonstrate that with the found soliton solutions, the coupled mode equations can be converted into the nonlinear relativistic 1D Dirac equation. This paves the way for using binary waveguide arrays as a classical simulator of quantum nonlinear effects arising from the Dirac equation, something that is thought to be impossible to achieve in conventional (i.e. linear) quantum field theory. -- Highlights: •An opticalmore » analogue of Dirac solitons in nonlinear binary waveguide arrays is suggested. •Analytical solutions to pseudo-relativistic solitons are presented. •A correspondence of optical coupled-mode equations with the nonlinear relativistic Dirac equation is established.« less

Unstable Mode Solutions to the Klein-Gordon Equation in Kerr-anti-de Sitter Spacetimes

NASA Astrophysics Data System (ADS)

Dold, Dominic

2017-03-01

For any cosmological constant {Λ = -3/ℓ2 < 0} and any {α < 9/4}, we find a Kerr-AdS spacetime {({M}, g_{KAdS})}, in which the Klein-Gordon equation {Box_{g_{KAdS}}ψ + α/ℓ2ψ = 0} has an exponentially growing mode solution satisfying a Dirichlet boundary condition at infinity. The spacetime violates the Hawking-Reall bound {r+2 > |a|ℓ}. We obtain an analogous result for Neumann boundary conditions if {5/4 < α < 9/4}. Moreover, in the Dirichlet case, one can prove that, for any Kerr-AdS spacetime violating the Hawking-Reall bound, there exists an open family of masses {α} such that the corresponding Klein-Gordon equation permits exponentially growing mode solutions. Our result adopts methods of Shlapentokh-Rothman developed in (Commun. Math. Phys. 329:859-891, 2014) and provides the first rigorous construction of a superradiant instability for negative cosmological constant.

Endocannabinoids control vesicle release mode at midbrain periaqueductal grey inhibitory synapses.

PubMed

Aubrey, Karin R; Drew, Geoffrey M; Jeong, Hyo-Jin; Lau, Benjamin K; Vaughan, Christopher W

2017-01-01

The midbrain periaqueductal grey (PAG) forms part of an endogenous analgesic system which is tightly regulated by the neurotransmitter GABA. The role of endocannabinoids in regulating GABAergic control of this system was examined in rat PAG slices. Under basal conditions GABAergic neurotransmission onto PAG output neurons was multivesicular. Activation of the endocannabinoid system reduced GABAergic inhibition by reducing the probability of release and by shifting release to a univesicular mode. Blockade of endocannabinoid system unmasked a tonic control over the probability and mode of GABA release. These findings provides a mechanistic foundation for the control of the PAG analgesic system by disinhibition. The midbrain periaqueductal grey (PAG) has a crucial role in coordinating endogenous analgesic responses to physiological and psychological stressors. Endocannabinoids are thought to mediate a form of stress-induced analgesia within the PAG by relieving GABAergic inhibition of output neurons, a process known as disinhibition. This disinhibition is thought to be achieved by a presynaptic reduction in GABA release probability. We examined whether other mechanisms have a role in endocannabinoid modulation of GABAergic synaptic transmission within the rat PAG. The group I mGluR agonist DHPG ((R,S)-3,5-dihydroxyphenylglycine) inhibited evoked IPSCs and increased their paired pulse ratio in normal external Ca 2+ , and when release probability was reduced by lowering Ca 2+ . However, the effect of DHPG on the coefficient of variation and kinetics of evoked IPSCs differed between normal and low Ca 2+ . Lowering external Ca 2+ had a similar effect on evoked IPSCs to that observed for DHPG in normal external Ca 2+ . The low affinity GABA A receptor antagonist TPMPA ((1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid) inhibited evoked IPSCs to a greater extent in low than in normal Ca 2+ . Together these findings indicate that the normal mode of GABA release is multivesicular within the PAG, and that DHPG and lowering external Ca 2+ switch this to a univesicular mode. The effects of DHPG were mediated by mGlu5 receptor engagement of the retrograde endocannabinoid system. Blockade of endocannabinoid breakdown produced a similar shift in the mode of release. We conclude that endocannabinoids control both the mode and the probability of GABA release within the PAG. © 2016 The Authors. The Journal of Physiology © 2016 The Physiological Society.

S-NPP CrIS Full Resolution Sensor Data Record Processing and Evaluations

NASA Astrophysics Data System (ADS)

Chen, Y.; Han, Y.; Wang, L.; Tremblay, D. A.; Jin, X.; Weng, F.

2014-12-01

The Cross-track Infrared Sounder (CrIS) on Suomi National Polar-orbiting Partnership Satellite (S-NPP) is a Fourier transform spectrometer. It provides a total of 1305 channels in the normal mode for sounding the atmosphere. CrIS can also be operated in the full spectral resolution (FSR) mode, in which the MWIR and SWIR band interferograms are recorded with the same maximum path difference as the LWIR band and with spectral resolution of 0.625 cm-1 for all three bands (total 2211 channels). NOAA will operate CrIS in FSR mode in December 2014 and the Joint Polar Satellite System (JPSS). Up to date, the FSR mode has been commanded three times in-orbit (02/23/2012, 03/12/2013, and 08/27/2013). Based on CrIS Algorithm Development Library (ADL), CrIS full resolution Processing System (CRPS) has developed to generate the FSR Sensor Data Record (SDR). This code can also be run for normal mode and truncation mode SDRs with recompiling. Different calibration approaches are implemented in the code in order to study the ringing effect observed in CrIS normal mode SDR and to support to select the best calibration algorithm for J1. We develop the CrIS FSR SDR Validation System to quantify the CrIS radiometric and spectral accuracy, since they are crucial for improving its data assimilation in the numerical weather prediction, and for retrieving atmospheric trace gases. In this study, CrIS full resolution SDRs are generated from CRPS using the data collected from FSR mode of S-NPP, and the radiometric and spectral accuracy are assessed by using the Community Radiative Transfer Model (CRTM) and European Centre for Medium-Range Weather Forecasts (ECMWF) forecast fields. The biases between observation and simulations are evaluated to estimate the FOV-2-FOV variability and bias under clear sky over ocean. Double difference method and Simultaneous Nadir Overpass (SNO) method are also used to assess the CrIS radiance consistency with well-validated IASI. Two basic frequency validation methods (absolute and relative spectral validations) are used to assess the CrIS spectral accuracy. Results show that CrIS SDRs from FSR have similar radiometric and spectral accuracy as those from normal mode.

Nonlinear Spring Finite Elements for Predicting Mode I-Dominated Delamination Growth in Laminated Structure with Through-Thickness reinforcement

NASA Technical Reports Server (NTRS)

Ratcliffe, James G.; Krueger, Ronald

2006-01-01

One particular concern of polymer matrix composite laminates is the relatively low resistance to delamination cracking, in particular when the dominant type of failure is mode I opening. One method proposed for alleviating this problem involves the insertion pultruded carbon pins through the laminate thickness. The pins, known as z-pins, are inserted into the prepreg laminate using an ultrasonic hammer prior to the curing process, resulting in a field of pins embedded normal to the laminate plane as illustrated in Figure. 1. Pin diameters range between 0.28-mm to 0.5-mm and standard areal densities range from 0.5% to 4%. The z-pins are provided by the manufacturer, Aztex(Registered TradeMark) , in a low-density foam preform, which acts to stabilize orientation of the pins during the insertion process [1-3]. Typical pin materials include boron and carbon fibers embedded in a polymer matrix. A number of methods have been developed for predicting delamination growth in laminates reinforced with z-pins. During a study on the effect of z-pin reinforcement on mode I delamination resistance, finite element analyses of z-pin reinforced double cantilever beam (DCB) specimens were performed by Cartie and Partridge [4]. The z-pin bridging stresses were modeled by applying equivalent forces at the pin locations. Single z-pin pull-out tests were performed to characterize the traction law of the pins under mode I loading conditions. Analytical solutions for delamination growth in z-pin reinforced DCB specimens were independently derived by Robinson and Das [5] and Ratcliffe and O'Brien [6]. In the former case, pin bridging stresses were modeled using a distributed load and in the latter example the bridging stresses were discretely modeled by way of grounded springs. Additionally, Robinson and Das developed a data reduction strategy for calculating mode I fracture toughness, G(sub Ic), from a z-pin reinforced DCB specimen test [5]. In both cases a traction law similar to that adopted by Cartie and Partridge was used to represent z-pin failure under mode I loading conditions. In the current work spring elements available in most commercial finite element codes were used to model z-pins. The traction law used in previous analyses [4-6] was employed to represent z-pin damage. This method is intended for and is limited to simulating z-pins in composite laminate structure containing mode I-dominated delamination cracking. The current technique differs from previous analyses in that spring finite elements (available in commercial codes) are employed for simulating zpins, reducing the complexity of the analysis construction process. Furthermore, the analysis method can be applied to general structure that experiences mode I-dominated delamination cracking, in contrast to existing analytical solutions that are only applicable to coupon DCB specimens.

The partially filled viscous ring damper.

NASA Technical Reports Server (NTRS)

Alfriend, K. T.

1973-01-01

The problem of a spinning satellite with a partially filled viscous ring damper is investigated. It is shown that there are two distinct modes of motion, the nutation-synchronous mode and spin-synchronous mode. From an approximate solution of the equations of motion a time constant is obtained for each mode. From a consideration of the fluid dynamics several methods are developed for determining the damping constant.

Evaluation of Linear, Inviscid, Viscous, and Reduced-Order Modeling Aeroelastic Solutions of the AGARD 445.6 Wing Using Root Locus Analysis

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Perry, Boyd III; Chwalowski, Pawel

2014-01-01

Reduced-order modeling (ROM) methods are applied to the CFD-based aeroelastic analysis of the AGARD 445.6 wing in order to gain insight regarding well-known discrepancies between the aeroelastic analyses and the experimental results. The results presented include aeroelastic solutions using the inviscid CAP-TSD code and the FUN3D code (Euler and Navier-Stokes). Full CFD aeroelastic solutions and ROM aeroelastic solutions, computed at several Mach numbers, are presented in the form of root locus plots in order to better reveal the aeroelastic root migrations with increasing dynamic pressure. Important conclusions are drawn from these results including the ability of the linear CAP-TSD code to accurately predict the entire experimental flutter boundary (repeat of analyses performed in the 1980's), that the Euler solutions at supersonic conditions indicate that the third mode is always unstable, and that the FUN3D Navier-Stokes solutions stabilize the unstable third mode seen in the Euler solutions.

Cosmological solutions of low-energy heterotic M theory

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

Copeland, Edmund J.; Ellison, James; Roberts, Jonathan

We derive a set of exact cosmological solutions to the D=4, N=1 supergravity description of heterotic M theory. Having identified a new and exact SU(3) Toda model solution, we then apply symmetry transformations to both this solution and to a previously known SU(2) Toda model, in order to derive two further sets of new cosmological solutions. In the symmetry-transformed SU(3) Toda case we find an unusual bouncing motion for the M5 brane, such that this brane can be made to reverse direction part way through its evolution. This bounce occurs purely through the interaction of nonstandard kinetic terms, as theremore » are no explicit potentials in the action. We also present a perturbation calculation which demonstrates that, in a simple static limit, heterotic M theory possesses a scale-invariant isocurvature mode. This mode persists in certain asymptotic limits of all the solutions we have derived, including the bouncing solution.« less

Earth's Outer Core Properties Estimated Using Bayesian Inversion of Normal Mode Eigenfrequencies

NASA Astrophysics Data System (ADS)

Irving, J. C. E.; Cottaar, S.; Lekic, V.

2016-12-01

The outer core is arguably Earth's most dynamic region, and consists of an iron-nickel liquid with an unknown combination of lighter alloying elements. Frequencies of Earth's normal modes provide the strongest constraints on the radial profiles of compressional wavespeed, VΦ, and density, ρ, in the outer core. Recent great earthquakes have yielded new normal mode measurements; however, mineral physics experiments and calculations are often compared to the Preliminary reference Earth model (PREM), which is 35 years old and does not provide uncertainties. Here we investigate the thermo-elastic properties of the outer core using Earth's free oscillations and a Bayesian framework. To estimate radial structure of the outer core and its uncertainties, we choose to exploit recent datasets of normal mode centre frequencies. Under the self-coupling approximation, centre frequencies are unaffected by lateral heterogeneities in the Earth, for example in the mantle. Normal modes are sensitive to both VΦ and ρ in the outer core, with each mode's specific sensitivity depending on its eigenfunctions. We include a priori bounds on outer core models that ensure compatibility with measurements of mass and moment of inertia. We use Bayesian Monte Carlo Markov Chain techniques to explore different choices in parameterizing the outer core, each of which represents different a priori constraints. We test how results vary (1) assuming a smooth polynomial parametrization, (2) allowing for structure close to the outer core's boundaries, (3) assuming an Equation-of-State and adiabaticity and inverting directly for thermo-elastic parameters. In the second approach we recognize that the outer core may have distinct regions close to the core-mantle and inner core boundaries and investigate models which parameterize the well mixed outer core separately from these two layers. In the last approach we seek to map the uncertainties directly into thermo-elastic parameters including the bulk modulus, its pressure derivative, and molar mass and volume, with particular attention paid to the (inherent) trade-offs between the different coefficients. We discuss our results in terms of added uncertainty to the light element composition of the outer core and the potential existence of anomalous structure near the outer core's boundaries.

Vocal fold contact patterns based on normal modes of vibration.

PubMed

Smith, Simeon L; Titze, Ingo R

2018-05-17

The fluid-structure interaction and energy transfer from respiratory airflow to self-sustained vocal fold oscillation continues to be a topic of interest in vocal fold research. Vocal fold vibration is driven by pressures on the vocal fold surface, which are determined by the shape of the glottis and the contact between vocal folds. Characterization of three-dimensional glottal shapes and contact patterns can lead to increased understanding of normal and abnormal physiology of the voice, as well as to development of improved vocal fold models, but a large inventory of shapes has not been directly studied previously. This study aimed to take an initial step toward characterizing vocal fold contact patterns systematically. Vocal fold motion and contact was modeled based on normal mode vibration, as it has been shown that vocal fold vibration can be almost entirely described by only the few lowest order vibrational modes. Symmetric and asymmetric combinations of the four lowest normal modes of vibration were superimposed on left and right vocal fold medial surfaces, for each of three prephonatory glottal configurations, according to a surface wave approach. Contact patterns were generated from the interaction of modal shapes at 16 normalized phases during the vibratory cycle. Eight major contact patterns were identified and characterized by the shape of the flow channel, with the following descriptors assigned: convergent, divergent, convergent-divergent, uniform, split, merged, island, and multichannel. Each of the contact patterns and its variation are described, and future work and applications are discussed. Copyright © 2018 Elsevier Ltd. All rights reserved.

Effect of Marangoni Convection on Surfactant Transfer Between the Drop Connected to the Reservoir and Surrounding Liquid

NASA Astrophysics Data System (ADS)

Kostarev, K.; Denisova, M.; Shmyrov, A.

2018-03-01

The paper presents the results of comparative investigation of the interaction between the capillary and buoyant mechanisms of motion in a problem of surfactant mass transfer between an insoluble drop and surrounding fluid under different gravity conditions. The research was performed for the drop that is coupled with the reservoir filled with a source mixture through a long thin tube (needle). Visualization of the flow patterns and concentration fields has shown that surfactant diffusion from the needle at normal gravity leads to the onset of the oscillatory mode of the capillary convection in the drop. It has been found that the frequency of the Marangoni convection outbursts, the lifetime of the oscillatory flow modes and the amount of the source mixture involved in the process of mass transfer depend on the drop size and initial concentration of the surfactant. The obtained results are compared with the cases of surfactant diffusion from the isolated drop under terrestrial conditions and from the drop coupled with reservoir in microgravity. Additionally, a series of experiments were performed to investigate diffusion of a surfactant from the surrounding solution into a drop.

Structured-gate organic field-effect transistors

NASA Astrophysics Data System (ADS)

Aljada, Muhsen; Pandey, Ajay K.; Velusamy, Marappan; Burn, Paul L.; Meredith, Paul; Namdas, Ebinazar B.

2012-06-01

We report the fabrication and electrical characteristics of structured-gate organic field-effect transistors consisting of a gate electrode patterned with three-dimensional pillars. The pillar gate electrode was over-coated with a gate dielectric (SiO2) and solution processed organic semiconductors producing both unipolar p-type and bipolar behaviour. We show that this new structured-gate architecture delivers higher source-drain currents, higher gate capacitance per unit equivalent linear channel area, and enhanced charge injection (electrons and/or holes) versus the conventional planar structure in all modes of operation. For the bipolar field-effect transistor (FET) the maximum source-drain current enhancements in p- and n-channel mode were >600% and 28%, respectively, leading to p and n charge mobilities with the same order of magnitude. Thus, we have demonstrated that it is possible to use the FET architecture to manipulate and match carrier mobilities of material combinations where one charge carrier is normally dominant. Mobility matching is advantageous for creating organic logic circuit elements such as inverters and amplifiers. Hence, the method represents a facile and generic strategy for improving the performance of standard organic semiconductors as well as new materials and blends.

Signature management of radar returns from wind turbine generators

NASA Astrophysics Data System (ADS)

Tennant, A.; Chambers, B.

2006-04-01

The large radar cross section of wind turbine generator (WTG) blades combined with high tip speeds can produce significant Doppler returns when illuminated by a radar. Normally, an air traffic control radar system will filter out large returns from stationary targets, but the Doppler shifts introduced by the WTG blades are interpreted as moving aircraft that can confuse radar operators and compromise safety. A possible solution to this problem is to incorporate an active layer into the structure of the WTG blades that can be used to dynamically modulate the radar cross section (RCS) of the blade return. The active blade can operate in one of two modes: first the blade RCS can be modulated to provide a Doppler return that is outside the detectable range of the radar receiver system so that it is rejected; a second mode of operation is to introduce specific coding onto the Doppler returns so that they may be uniquely identified and rejected. The active layer used in the system consists of a frequency selective surface controlled by semiconductor diodes and is a development of techniques developed for active radar absorbers. Results of theoretical and experimental work using a 10 GHz Doppler radar and scale-model WTG are presented.

Design, fabrication, and testing of a low frequency MEMS piezoelectromagnetic energy harvester

NASA Astrophysics Data System (ADS)

Fernandes, Egon; Martin, Blake; Rua, Isabel; Zarabi, Sid; Debéda, Hélène; Nairn, David; Wei, Lan; Salehian, Armaghan

2018-03-01

This paper details a power solution for smart grid applications to replace batteries by harvesting the electromagnetic energy from a current-carrying wire. A MEMS piezoelectromagnetic energy harvester has been fabricated using PZT screen-printing technology with a centrally-supported meandering geometry. The energy harvesting device employs a symmetric geometry to increase its power output by reducing the effects of the torsional modes and the resultant overall strain nodes in the system subsequently reduce the complexities for the electrode fabrication. The unit is modelled using COMSOL to determine mode shapes and frequency response functions. A 12.7 mm by 14.7 mm unit is fabricated by screen-printing 75 μm-thick PZT on a stainless steel substrate and then experimentally tested to validate the FEA results. Experimentally, the harvester is shown to produce 9 μW from a wire carrying 7 A while operating at a distance of 6.5 mm from the wire. The design of the current work results in a greater normalized power density than other MEMS based piezoelectromagnetic devices and shows great potential relative to larger devices that use bulk or thin film piezoelectrics.