Raman wavenumbers calculated as a function of pressure from the mode Grüneisen parameter of PZT(x=0:48)ceramic close to the monoclinic-cubic transition

The isothermal mode Grüneisen parameterγTðPÞof some Raman modes in PbZr_(1-x)Ti_(x)O_(3)(PZT,x=0.48)were calculated as a function of pressure by means of the observed pressure-dependent volume data of PZT(x=0.48)crystal from the literature at room temperature of 298 K.Those calculated values ofγTðPÞwere then used to compute the pressure dependence of the Raman modes in PZT(x=0.48)ceramic studied here.The observed and calculated values of the Raman wavenumbers in PZT were in good agreement,which indicates that the isothermal mode Grüneisen parameter can also be used to predict the pressure-dependent wavenumbers of some other perovskite-type crystals.Additionally,the pressure dependence of the thermodynamic quantities such as isothermal compressibilityκT,thermal expansionαP and the specific heat C_(P)-C_(V) of PZT(x=0.48)ceramic were predicted at constant temperature of 298 K.Here,the experimentally measurable thermodynamic quantities calculated for PZT(x=0.48)ceramics provide theoretically a significant opportunity for testing.

The algorithm of 3D multi-scale volumetric curvature and its application

To fully extract and mine the multi-scale features of reservoirs and geologic structures in time/depth and space dimensions, a new 3D multi-scale volumetric curvature （MSVC） methodology is presented in this paper. We also propose a fast algorithm for computing 3D volumetric curvature. In comparison to conventional volumetric curvature attributes, its main improvements and key algorithms introduce multi-frequency components expansion in time-frequency domain and the corresponding multi-scale adaptive differential operator in the wavenumber domain, into the volumetric curvature calculation. This methodology can simultaneously depict seismic multi-scale features in both time and space. Additionally, we use data fusion of volumetric curvatures at various scales to take full advantage of the geologic features and anomalies extracted by curvature measurements at different scales. The 3D MSVC can highlight geologic anomalies and reduce noise at the same time. Thus, it improves the interpretation efficiency of curvature attributes analysis. The 3D MSVC is applied to both land and marine 3D seismic data. The results demonstrate that it can indicate the spatial distribution of reservoirs, detect faults and fracture zones, and identify their multi-scale properties.

Effect of Excited-state Substituent Constant on the UV Spectra of 1,4-disubstituted Benzenes

A correlation equation between the UV absorption wavenumbers of 1,4-disubstituted benzenes and the excited-state substituent constant was obtained. For 80 sorts of 1,4- disubstituted benzenes, the correlation coefficient was 0.9805, and the standard deviation was only 672.27 cm^-1. The results imply that the excited-state substituent constant can be used productively for research on UV energy of 1,4-disubstituted benzenes. The present method provides a new avenue to study the UV absorption spectra of aromatic systems with the excited-state substituent constant, and it is helpful to understand the effect of substituent electrostatic effects on the chemical and physical properties of conjugated compounds with multiple substituents in excited state.

Structures and Intermolecular Interactions in Dimethyl Sulfoxide-Water System Studied by All-atom Molecular Simulations

An all-atom dimethyl sulfoxide （DMSO） and water model have been used for molecular dynamics simulation. The NMR and IR spectra are also performed to study the structures and interactions in the DMSO-water system. And there are traditional strong hydrogen bonds and weak C-H- ~ ~ O contacts existing in the mixtures according to the analysis of the radial distribution functions. The insight structures in the DMSO-water mixtures can be classified into different regions by the analysis of the hydrogen-bonding network. Interestingly, the molar fraction of DMSO 0.35 is found to be a special concentration by the network. It is the transitional region which is from the water rich region to the DMSO rich region. The stable aggregates of （DMSO）m＇S=O…… HW-OW-（H20）n might play a key role in this region. Moreover, the simulation is compared with the chemical shifts in NMR and wavenumbers in IR with concentration dependence. And the statistical results of the average number hydrogen bonds in the MD simulations are in agreement with the experiment data in NMR and IR spectra.

True-amplitude wavefield separation using staggered-grid interpolation in the wavenumber domain

Wavefield separation of multicomponent seismic data to image subsurface structures can be realized in either the space domain or the wavenumber domain. However, as the particle velocity components used in the wavenumber-domain wavefield separation are not defined at the same grid point with the staggered-grid finite-difference method for elastic wavefield simulation, we propose the wavenumber-domain interpolation method to estimate the required values at the common grid points prior to the wavenumber-domain true-amplitude wavefield separation. Moreover, numerical experiments show that the wavenumber-domain interpolation method has high interpolation accuracy and the trueamplitude wavefield separation method shows good amplitude preservation. The application of the proposed methodology to elastic reverse-time migration can obtain good amplitudepreserved images even in the case of some velocity error.

Modal Wave Number Tomography for South China Sea Front

Monitoring of the South China Sea is always one of the focuses in the field of ocean engineering for its particular geographic position. The modal wave number tomography is proposed for monitoring the front and numerical simulation is performed for the front of the South China Sea. With the empirical orthonormal function (EOF) applied to reduce the parameter search space, the perturbation inversion method is used for inversing sound speed profiles. The 2-D ocean environment used for numerical simulation is selected from the ocean area, located in 20°N, 118°E～20°N, 125°E, near the Luzon Strait in the South China Sea. The ocean environment sound speed distribution in the ocean area under study is obtained from the assimilation of multi-source remote sensing data. The numerical simulation shows that the modal wave number tomography can inverse the average sound speed profile, therefore,it can be used to monitor ocean internal structures such as ocean fronts and eddies which affect sound speed distribution.

Circular SAR processing using an improved omega-k type algorithm

An improved circular synthetic aperture radar（CSAR） imaging algorithm of omega-k（ω-k） type mainly for reconstructing an image on a cylindrical surface is proposed.In the typical CSAR ω-k algorithm,the rage trajectory is approximated by Taylor series expansion to the quadratic terms,which limits the valid synthetic aperture length and the angular reconstruction range severely.Based on the model of the CSAR echo signal,the proposed algorithm directly transforms the signal to the two-dimensional（2D） wavenumber domain,not using approximation processing to the range trajectory.Based on form of the signal spectrum in the wavenumber domain,the formula for the wavenumber domain interpolation of the w-k algorithm is deduced,and the wavenumber spectrum of the reference point used for bulk compression is obtained from numerical method.The improved CSAR ω-k imaging algorithm increases the valid synthetic aperture length and the angular area greatly and hence improves the angular resolution of the cylindrical imaging.Additionally,the proposed algorithm can be repeated on different cylindrical surfaces to achieve three dimensional（3D） image reconstruction.The 3D spatial resolution of the CSAR system is discussed,and the simulation results validate the correctness of the analysis and the feasibility of the algorithm.

Quantitative Rectangular Notch Detection of Laser-induced Lamb Waves in Aluminium Plates with Wavenumber Analysis

It is difficult to quantitatively detect defects by using the time domain or frequency domain features of Lamb wave signals due to their dispersion and multimodal characteristics.Therefore,it is important to discover an intrinsical parameter of Lamb waves that could be used as a damage sensitive feature.In this paper,quantitative defect detection in aluminium plates is carried out by means of wavenumber analysis approach.The wavenumber of excited Lamb wave mode is a fixed value,given a frequency,a thickness and material properties of the target plate.When Lamb waves propagate to the structural discontinuity,new wavenumber components are created by abrupt wavefield change.The new wavenumber components can be identified in the frequency-wavenumber domain.To estimate spatially dependent wavenumber values,a short-space two-dimensional Fourier transform(FT)method is presented for processing wavefield data of Lamb waves.The results can be used to determine the location,size and depth of rectangular notch.The analysis techniques are demonstrated using simulation examples of an aluminium plate with a rectangular notch.Then,the wavenumber analysis method is applied to simulation data that are obtained through a range of notch depths and widths.The results are analyzed and rules of the technique with regards to estimating notch depth are determined.Based on simulation results,guidelines for using the technique are developed.Finally,experimental wavefield data are obtained in aluminium plates with rectangular notches by a full noncontact transceiving method,i.e.,laser-laser method.Band-pass filtering combined with continuous wavelet transform is used to extract a certain frequency component from the full laser-induced wavefield with wide band.Shortspace two-dimensional FT method is used for further processing full wavefield data at a certain frequency to estimate spatially dependent wavenumber values.The consistency of simulation and experimental results shows the effectiveness of proposed wavenumber method for quantitative rectangular notch detection.

Three-dimensional transformation of magnetization direction and magnetic field component at low latitudes based on vertical relationship

The transformation of the magnetization direction and the magnetic fi eld component is one of the important methods in magnetic data processing and transformation,which can be conducted in both wavenumber and spatial domains.The transformation method in the wavenumber domain has simpler processing expression and higher processing effi ciency than in the spatial domain;however,they are unstable at low latitude.In this paper,the conclusion that the sum is 0 of two vertical magnetic fi eld components(magnetization inclinations are also perpendicular)in 2D is used for the 3D transformation of the magnetization direction and the magnetic field component.In addition,the transformation method at low latitudes based on vertical relationship(VMT)is proposed,which is an iterative algorithm that converts the transformation of the magnetization direction and the magnetic field component at the low latitude into the high latitude.This method restrains the instability of transformation of constant and variable magnetization direction and magnetic fi eld components in low latitudes.The accuracy,stability,and practicality are verifi ed from synthetic models and real data.

Analytical solution based on the wavenumber integration method for the acoustic field in a Pekeris waveguide

An exact solution based on the wavenumber integration method is proposed and implemented in a numerical model for the acoustic field in a Pekeris waveguide excited by either a point source in cylindrical geometry or a line source in plane geometry. Besides, an unconditionally stable numerical solution is also presented, which entirely resolves the stability problem in previous methods. Generally the branch line integral contributes to the total field only at short ranges, and hence is usually ignored in traditional normal mode models. However, for the special case where a mode lies near the branch cut, the branch line integral can contribute to the total field significantly at all ranges. The wavenumber integration method is well-suited for such problems. Numerical results are also provided, which show that the present model can serve as a benchmark for sound propagation in a Pekeris waveguide.

The relationship between the canonical ENSO and the phase transition of the Antarctic oscillation at the quasi-quadrennial timescale

A correlation analysis is performed to investigate the relationship between El Nino-Southern Oscillation （ENSO） and the Antarctic oscillation （AAO） at the quasi-quadrennial （QQ） timescale.It is found that the cold tongue index （CTI） and the AAO index （AAOI） are negatively correlated with about a 7-month lead-time,while they are positively correlated with about a 15-month lag-time.To further explore this relationship,complex empirical orthogonal function analysis is employed in the QQ sea level pressure （SLP） anomalies from 1951 to 2002.The results indicate that,during the ENSO cycle,there exists one kind of global tropical wave of wavenumber 1 （GTW1） propagating eastward.With the traveling of GTW1,the tropical SLP anomaly tends to intrude into the southern mid-latitudes.Accordingly,three strong signals travel synchronously along the circumSouth-Pacific path,and a relatively weak signal extends eastward and poleward over the South Ocean in the Atlantic-Indian Ocean sector.Following the propagation of these signals,the AAO phase tends to be reversed progressively.As a result,there exists an evident lead-lag correlation between CTI and AAOI.It can be concluded that ENSO plays a key role in the phase transition of AAO at the QQ timescale.It is also noticed that this regular relationship is only evident in the canonical ENSO events,for which sea surface temperature （SST） anomalies extend westward from the tropical eastern Pacific.On the other hand,the similar relationships are not found among those atypical ENSO events for which SST anomalies spread eastward from the central Pacific,such as the 1982-1983 ENSO event.

Wavenumber-4 spectral component extracted from TIMED/SABER observations

The wavenumber spectral components WN4 at the mesosphere and low thermosphere(MLT)altitudes(70–10 km)and in the latitude range between±45°are obtained from temperature data(T)observed by the Sounding of the Atmosphere using Broadband Emission Radiometry(SABER)instruments on board the National Aeronautics and Space Administration(NASA)’s Thermosphere–Ionosphere–Mesosphere Energetics and Dynamics(TIMED)spacecraft during the 11-year solar period from 2002 to 2012.We analyze in detail these spectral components WNk and obtain the main properties of their vertical profiles and global structures.We report that all of the wavenumber spectral components WNk occur mainly around 100 km altitude,and that the most prominent component is the wavenumber spectral component WN4 structure.Comparing these long duration temperature data with results of previous investigations,we have found that the yearly variation of spectral component WN4 is similar to that of the eastward propagating non-migrating diurnal tide with zonal wavenumber 3(DE3)at the low latitudes,and to that of the semi-diurnal tide with zonal wavenumber 2(SE2)at the mid-latitudes:the amplitudes of the A4 are larger during boreal summer and autumn at the low-latitudes;at the mid-latitudes the amplitudes have a weak peak in March.In addition,the amplitudes of component WN4 undergo a remarkable short period variation:significant day-to-day variation of the spectral amplitudes A4 occurs primarily in July and September at the low-latitudes.In summary,we conclude that the non-migrating tides DE3 and SE2 are likely to be the origins,at the low-latitudes and the mid-latitudes in the MLT region,respectively,of the observed wavenumber spectral component WN4.

Fast 3D forward modeling of the magnetic field and gradient tensor on an undulated surface

Magnetic field gradient tensor technique provides abundant data for delicate inversion of subsurface magnetic susceptibility distribution. Large scale magnetic data inversion imaging requires high speed and accuracy for forward modeling. For arbitrarily distributed susceptibility data on an undulated surface, we propose a fast 3D forward modeling method in the wavenumber domain based on(1) the wavenumber-domain expression of the prism combination model and the Gauss–FFT algorithm and(2) cubic spline interpolation. We apply the proposed 3D forward modeling method to synthetic data and use weighting coefficients in the wavenumber domain to improve the modeling for multiple observation surfaces, and also demonstrate the accuracy and efficiency of the proposed method.

Fast local wavenumber （FLW） method for the inversion of magnetic source parameters

The current local wavenumber methods for the interpretation of magnetic anomalies compute the locations of geological bodies by solving complex matrices. Presently, such methods require to know the structural index, which is a parameter that represents the source type. The structural index is hard to know in real data; consequently, the precision of current methods is low. We present the fast local wavenumber （FLW） method, and define the squared sum of the horizontal and vertical local wavenumbers as the cumulative local wavenumber. The FLW method is the linear combination of the umulative local wavenumberand other wavenumbers, and is used to compute the locations and structural index of the source without a priori information and matrix solution. We apply the FLW method to synthetic magnetic anomalies, and the results suggest that the FLW method is insensitive to background and oblique magnetization. Next, we apply the FLW method to real magnetic data to obtain the location and structural index of the source.

Feature Selection for Cluster Analysis in Spectroscopy

Cluster analysis in spectroscopy presents some unique challenges due to the specific data characteristics in spectroscopy,namely,high dimensionality and small sample size.In order to improve cluster analysis outcomes,feature selection can be used to remove redundant or irrelevant features and reduce the dimensionality.However,for cluster analysis,this must be done in an unsupervised manner without the benefit of data labels.This paper presents a novel feature selection approach for cluster analysis,utilizing clusterability metrics to remove features that least contribute to a dataset’s tendency to cluster.Two versions are presented and evaluated:The Hopkins clusterability filter which utilizes the Hopkins test for spatial randomness and the Dip clusterability filter which utilizes the Dip test for unimodality.These new techniques,along with a range of existing filter and wrapper feature selection techniques were evaluated on eleven real-world spectroscopy datasets using internal and external clustering indices.Our newly proposed Hopkins clusterability filter performed the best of the six filter techniques evaluated.However,it was observed that results varied greatly for different techniques depending on the specifics of the dataset and the number of features selected,with significant instability observed for most techniques at low numbers of features.It was identified that the genetic algorithm wrapper technique avoided this instability,performed consistently across all datasets and resulted in better results on average than utilizing the all the features in the spectra.

Slope wavenumber spectrum models of capillary and capillary-gravity waves

Capillary and capillary-gravity waves possess a random character, and the slope wavenumber spectra of them can be used to represent mean distributions of wave energy with respect to spatial scale of variability. But simple and practical models of the slope wavenumber spectra have not been put forward so far. In this article, we address the accurate definition of the slope wavenumber spectra of water surface capillary and capillary-gravity waves. By combining the existing slope wavenumber models and using the dispersion relation of water surface waves, we derive the slope wavenumber spectrum models of capillary and capillary-gravity waves. Simultaneously, by using the slope wavenumber models, the dependence of the slope wavenumber spectrum on wind speed is analyzed using data obtained in an experiment which was performed in a laboratory wind wave tank. Generally speaking, the slope wavenumber spectra are influenced profoundly by the wind speed above water surface. The slope wavenumber spectrum increases with wind speed obviously and do not cross each other for different wind speeds. But, for the same wind speed, the slope wavenumber spectra are essentially identical, even though the capillary and capillary-gravity waves are excited at different times and locations. Furthermore, the slope wavenumber spectra obtained from the models agree quite well with experimental results as regards both the values and the shape of the curve.

Time Domain Full Waveform Inversion Based on Gradient Preconditioning with an Angle-Dependent Weighting Factor

There are lots of low wavenumber noises in the gradients of time domain full waveform inversion(FWI),which can seriously reduce the accuracy and convergence speed of FWI.Thus,we introduce an angle-dependent weighting factor to precondition the gradients so as to suppress the low wavenumber noises when the multi-scale FWI is implemented in the high frequency.Model experiments show that the FWI based on the gradient preconditioning with an angle-dependent weighting factor has faster convergence speed and higher inversion accuracy than the conventional FWI.The tests on real marine seismic data show that this method can adapt to the FWI of field data,and provide high-precision velocity models for the actual data processing.

Improved nonlinear parabolized stability equations approach for hypersonic boundary layers

The nonlinear parabolized stability equations(NPSEs)approach is widely used to study the evolution of disturbances in hypersonic boundary layers owing to its high computational efficiency.However,divergence of the NPSEs will occur when disturbances imposed at the inlet no longer play a leading role or when the nonlinear effect becomes very strong.Two major improvements are proposed here to deal with the divergence of the NPSEs.First,all disturbances are divided into two types:dominant waves and non-dominant waves.Disturbances imposed at the inlet or playing a leading role are defined as dominant waves,with all others being defined as non-dominant waves.Second,the streamwise wavenumbers of the non-dominant waves are obtained using the phase-locked method,while those of the dominant waves are obtained using an iterative method.Two reference wavenumbers are introduced in the phase-locked method,and methods for calculating them for different numbers of dominant waves are discussed.Direct numerical simulation(DNS)is performed to verify and validate the predictions of the improved NPSEs in a hypersonic boundary layer on an isothermal swept blunt plate.The results from the improved NPSEs approach are in good agreement with those of DNS,whereas the traditional NPSEs approach is subject to divergence,indicating that the improved NPSEs approach exhibits greater robustness.

Strong ground motion simulation for the 2013 Lushan M_W6.6 earthquake, Sichuan, China, based on the inverted and synthetic slip models

It is well known that quantitative estimation of slip distributions on fault plane is one of the most important issues for earthquake source inversion related to the fault rupture process. The characteristics of slip distribution on the main fault play a fundamental role to control strong ground motion pattern. A large amount of works have also suggested that variable slip models inverted from longer period ground motion recordings are relevant for the prediction of higher frequency ground motions. Zhang et al. （Chin J Geophys 56：1412-1417, 2013） and Wang et al. （Chin J Geophys 56：1408-1411,2013） published their source inversions for the fault rupturing process soon after the April 20, 2013 Lushan earthquake in Sichuan, China. In this study, first, we synthesize two forward source slip models： the value of maximum slip, fault dimension, size, and dimension of major asperities, and comer wave number obtained from Wang＇s model is adopted to constrain the gen- eration of k-2 model and crack model. Next, both inverted and synthetic slip models are employed to simulate the ground motions for the Lushan earthquake based on the stochastic finite-fault method. In addition, for a comparison purpose, a stochastic slip model and another k-2 model （k 2 model II） with 2 times value of comer wave number of the original k-2 model （k 2 model I） are also employed for simulation for Lushan event. The simulated results characterized by Modified Mer- calli Intensity （MMI） show that the source slip models based on the inverted and synthetic slip distributions could capture many basic features associated with the ground motion patterns. Moreover, the simulated MMI distributions reflect the rupture directivity effect and the influence of the shallow velocity structure well. On the other hand, the simulated MMI bystochastic slip model and k 2 model II is apparently higher than observed intensity. By contrast, our simulation results show that the higher frequency ground motion is sensitive to the degree of slip roughness; therefore, we suggest that, for realistic ground- motion simulations due to future earthquake, it is imperative to properly estimate the slip roughness distribution.

Characteristics of oceanic mesoscale variabilities associated with the inverse kinetic energy cascade

Oceanic geostrophic turbulence theory predicts significant inverse kinetic energy (KE) cascades at scales larger than the energy injection wavelength. However,the characteristics of the mesoscale variabilities associated with the inverse KE cascade in the real oceans have not been clear enough up to now. To further examine this problem,we analyzed the spectral characteristics of the oceanic mesoscale motions over the scales of inverse KE cascades based on high-resolution gridded altimeter data. The applicability of the quasigeostrophic (QG) turbulence theory and the surface quasigeostrophic (SQG) turbulence theory in real oceans is further explored. The results show that the sea surface height (SSH) spectral slope is linearly related to the eddy-kinetic-energy (EKE) level with a high correlation coefficient value of 0.67. The findings also suggest that the QG turbulence theory is an appropriate dynamic framework at the edge of high-EKE regions and that the SQG theory is more suitable in tropical regions and low-EKE regions at mid-high latitudes. New anisotropic characteristics of the inverse KE cascade are also provided. These results indicate that the along-track spectrum used by previous studies cannot reveal the dynamics of the mesoscale variabilities well.