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At least 577 records · Page 32

Time-frequency based cyber security defense of wide-area control system for fast frequency reserve

Global power systems are transiting from conventional fossil fuel energy to renewable energies due to their environmental benefits. The increasing penetration of renewable energies presents challenges for power system operation. The efficiency and sufficiency of responsive reserves have become increasingly important for power systems with a high proportion of renewable energies. The Fast Frequency Reserve (FFR), especially the Wide-area Monitoring System (WAMS)-based FFR, is a promising and effective solution to secure and enhance the stability of power systems. However, cyber security has become a new challenge for the WAMS-based FFR system. Cyber attacks on the FFR control system may threaten the safety of power system operation due to the rapid power controllability requirement of FFR. Therefore, to address this problem, a time-frequency based cyber security defense framework is proposed to detect the cyber spoofing of synchrophasor data in WAMS-based FFR control systems. This paper first introduces the Continuous Wavelet Transforms (CWTs) to decompose spoofing signals. Then, the Dual-frequency Scale Convolutional Neural Networks (DSCNN) is proposed to identify the time-frequency domains matrix from two frequency scales. Integrating CWTs and DSCNN, an identification framework called CWTs-DSCNN is further proposed to detect the spoofing attacks in the WAMS-based FFR system. Multiple experiments using the actual data from FNET/GridEye are performed to verify the effectiveness of the framework in securing WAMS-based FFR systems.

25 ENERGY STORAGE↗

Modeling of time-lapse seismic monitoring using CO 2 leakage simulations for a model CO 2 storage site with realistic geology: Application in assessment of early leak-detection capabilities

Time-lapse surface seismic surveys have been widely used at carbon sequestration sites for site characterization, monitoring subsurface CO 2 plume migration, and detecting potential CO 2 leakage from a storage reservoir. Monitoring in the first permeable unit directly above the primary seal is important for early detection of CO 2 leakage. Forward modeling of time-lapse seismic data can be used to assess the utility of the seismic method for CO 2 leakage detection. We develop a workflow for forward modeling of time-lapse seismic data, including constructing seismic velocity models using flow simulation outputs, modeling of pre-stack and post-stack synthetic seismic data following seismic data processing sequence and analysis of processed synthetic time-lapse seismic data. We apply the forward modeling and analysis workflow to assessing the detectability and the earliest detection time of seismic monitoring using the hypothetical CO 2 leakage scenarios for a model geologic storage site with realistic geology. We then derive the detection thresholds using the simulated normalized root-mean-square (NRMS) differences for the no-leakage case at a range of signal-to-noise ratios, representing the background noise levels in seismic data. We then compare NRMS differences triggered by the CO 2 leakage to the detection thresholds at each time step to quantify the detectability and the earliest detection time of seismic monitoring. We analyze the effects of the acquisition parameters and elastic parameters on the produced synthetic seismic data and earliest detection time. Our modeling results indicate that high signal-to-noise ratio is needed to detect the CO 2 leakage at the model site. Minimizing the background noise in seismic data is crucial for improving the detectability of the seismic method. Increasing the shot density or increasing the dominant frequency of the source wavelet is likely to increase the possibility of the leakage detection and reduce the time needed for the detection. The elastic parameters used in the rock physics modeling have significant effects on the resultant seismic velocity models and synthetic seismic data, highlighting their critical roles in understanding and interpreting time-lapse seismic reflection data associated with CO 2 monitoring, verification and accounting activities.

58 GEOSCIENCES↗

Computed Tomography Radiomics Predicts HPV Status and Local Tumor Control After Definitive Radiochemotherapy in Head and Neck Squamous Cell Carcinoma

Purpose: This study aimed to predict local tumor control (LC) after radiochemotherapy of head and neck squamous cell carcinoma (HNSCC) and human papillomavirus (HPV) status using computed tomography (CT) radiomics. Methods and Materials: HNSCC patients treated with definitive radiochemotherapy were included in the retrospective study approved by the local ethical commission (93 and 56 patients in the training and validation cohorts, respectively). Three hundred seventeen CT radiomic features, including those based on shape, intensity, texture, and wavelet transform, were calculated in the primary tumor region. Cox and logistic regression models were built to predict LC and HPV status, respectively. The best-performing features in the univariable analysis were included in the multivariable analysis after the exclusion of redundant features. The quality of the models was assessed using the concordance index (CI) for modeling of LC and receiver operating characteristics area under the curve (AUC) for HPV status prediction. The radiomics LC model was compared to a model incorporating clinical parameters (tumor stage, volume, and HPV status) and a mixed model. Results: A radiomic signature comprising 3 features was significantly associated with LC (CI{sub training} = 0.75 and CI{sub validation} = 0.78), showing that tumors with a more heterogeneous CT density distribution are at risk for decreased LC. The addition of clinical parameters to the radiomics model slightly improved the model in the training cohort but not in the validation cohort. Another radiomic signature showed good performance in HPV status prediction (AUC{sub training} = 0.85 and AUC{sub validation} = 0.78) and indicated that HPV-positive tumors have a more homogenous CT density distribution. Conclusions: Heterogeneity of HNSCC tumor density, quantified by CT radiomics, is associated with LC after radiochemotherapy and HPV status.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Estimation of the mixing layer height over a high altitude site in Central Himalayan region by using Doppler lidar

A Doppler lidar was installed at Manora Peak, Nainital (29.4 N; 79.2 E, 1958 amsl) to estimate mixing layer height for the first time by using vertical velocity variance as basic measurement parameter for the period September-November 2011. Mixing layer height is found to be located ~0.57 +/- 0.1and 0.45 +/- 0.05km AGL during day and nighttime, respectively. The estimation of mixing layer height shows good correlation (R>0.8) between different instruments and with different methods. Our results show that wavelet co-variance transform is a robust method for mixing layer height estimation.

Shukla, K. K.↗

A stochastic Galerkin method for the Euler equations with Roe variable transformation

The Euler equations subject to uncertainty in the initial and boundary conditions are investigated via the stochastic Galerkin approach. We present a new fully intrusive method based on a variable transformation of the continuous equations. Roe variables are employed to get quadratic dependence in the flux function and a well-defined Roe average matrix that can be determined without matrix inversion. In previous formulations based on generalized polynomial chaos expansion of the physical variables, the need to introduce stochastic expansions of inverse quantities, or square roots of stochastic quantities of interest, adds to the number of possible different ways to approximate the original stochastic problem. We present a method where the square roots occur in the choice of variables, resulting in an unambiguous problem formulation. The Roe formulation saves computational cost compared to the formulation based on expansion of conservative variables. Moreover, the Roe formulation is more robust and can handle cases of supersonic flow, for which the conservative variable formulation fails to produce a bounded solution. For certain stochastic basis functions, the proposed method can be made more effective and well-conditioned. This leads to increased robustness for both choices of variables. We use a multi-wavelet basis that can be chosen to include a large number of resolution levels to handle more extreme cases (e.g. strong discontinuities) in a robust way. For smooth cases, the order of the polynomial representation can be increased for increased accuracy.

97 MATHEMATICS AND COMPUTING↗

An energy-conserving method for stochastic Maxwell equations with multiplicative noise

In this paper, it is shown that three-dimensional stochastic Maxwell equations with multiplicative noise are stochastic Hamiltonian partial differential equations possessing a geometric structure (i.e. stochastic multi-symplectic conservation law), and the energy of system is a conservative quantity almost surely. We propose a stochastic multi-symplectic energy-conserving method for the equations by using the wavelet collocation method in space and stochastic symplectic method in time. Numerical experiments are performed to verify the excellent abilities of the proposed method in providing accurate solution and preserving energy. The mean square convergence result of the method in temporal direction is tested numerically, and numerical comparisons with finite difference method are also investigated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Variations in annual water-energy balance and their correlations with vegetation and soil moisture dynamics: A case study in the Wei River Basin, China

It is of importance to investigate watershed water-energy balance variations and to explore their correlations with vegetation and soil moisture dynamics, which helps better understand the interplays between underlying surface dynamics and the terrestrial water cycle. The heuristic segmentation method was adopted to identify change points in the parameter to series in Fu's equation belonging to the Budyko framework in the Wei River Basin (WRB) and its sub-basins aiming to examine the validity of stationary assumptions. Additionally, the cross wavelet analysis was applied to explore the correlations between vegetation and soil moisture dynamics and to variations. Results indicated that (1) the omega variations in the WRB are significant, with some change points identified except for the sub-basin above Zhangjiashan, implying that the stationarity of omega series in the WRB is invalid except for the sub-basin above Zhangjiashan; (2) the correlations between soil moisture series and to series are weaker than those between Normalized Difference Vegetation Index (NDVI) series and omega series; (3) vegetation dynamics show significantly negative correlations with omega variations in 1983-2003 with a 4-8 year signal in the whole WRB, and both vegetation and soil moisture dynamics exert strong impacts on the parameter omega changes. This study helps understanding the interactions between underlying land surface dynamics and watershed water-energy balance. (C) 2017 Elsevier B.V. All rights reserved.

54 ENVIRONMENTAL SCIENCES↗

Comparison of pulse shape discrimination performance of stilbene and liquid scintillator under high count-rate active interrogation conditions

Here, we compare the pulse-shape-discrimination performance of a large Stilbene detector, manufactured at the Lawrence Livermore National Laboratory, to a similarly sized liquid scintillator, made by Eljen Technologies, Inc. (type EJ309), under various high-count-rate scenarios, such as can be expected during Active Interrogation of objects using an electric neutron generator for detecting the presence of Special Nuclear Materials and contraband. Pulse Shape Discrimination (PSD) is performed with an extension of previously described wavelet and event fitting algorithms, which are also used to reject pileup events and to correct the energy calibration for event signals clipped during digitization. We find that strong PSD and pileup rejection cuts are required to function in this high-count-rate environment. Whereas the Stilbene detector has intrinsically better pulse-shape discrimination performance, the pulses of events from the liquid scintillator are somewhat narrower, reducing pileup. We use an event fitting cut that provides simultaneous PSD identification and pileup rejection. When applying the same cut to data taken with both detectors, we find that Stilbene has higher event use efficiency by about a factor of two and retains a better gamma rejection ratio compared to EJ309.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Photoacoustic 3-D imaging of polycrystalline microstructure improved with transverse acoustic waves

Non-invasive fast imaging of grain microstructure of polycrystalline ceria with sub-micrometric spatial resolution is performed via time-domain Brillouin scattering. The propagation of a nanoacoustic pulse is monitored down to 8 µm deep in a 30 × 30 µm2 area. Grains boundaries are reconstructed in three-dimensions via a twostep processing method, relying on the wavelet synchro-squeezed transform and the alpha shape algorithm. Imaging contrast is improved by taking advantage of stronger sensitivity to anisotropy of transverse acoustic waves, compared with longitudinal waves. Utilization of transverse waves in the image processing reveals additional boundaries that are not discerned using longitudinal waves, confirmed by an electron backscattering diffraction pattern. A buried inclined interface between differently oriented grains is identified by monitoring changes in amplitude (phase) of the portion of the signal associated with transverse (longitudinal) waves. Estimates of the inclination angle of this interface prove the sensitivity of our laser ultrasonic method to image inclined boundaries.

36 MATERIALS SCIENCE↗

Spontaneous Raman–LIF–CO–OH measurements of species concentration in turbulent spray flames

This paper presents new measurements of species concentrations, temperature and mixture fraction in selected regions of a turbulent ethanol spray flame. The line-Raman–LIF–COsingle bondOH setup developed at the Sandia's Combustion Research Facility is utilised to probe regions of a spray flame where laser breakdown of liquid droplets is avoided and the remaining interferences can be corrected. The spray flame is stabilised on the piloted Sydney needle spray burner, where axial translation of the liquid injecting needle in the air-blast stream can transition the spray from dilute to dense. The solution to obtaining successful measurements is found to be multifaceted and includes: the appropriate selection of flame conditions; high sensitivity of the Raman detection system permitting reduced laser energies; development of a pre-processing algorithm to reject strong droplet interferences; and application of the hybrid matrix inversion method combined with wavelet denoising to account for interference corrections and noise at the very low signal levels obtained. Unique and necessary for the successful measurements reported in this paper, a pre-processing algorithm is outlined that removes data points corrupted with strong interferences from droplets. These interferences arise from a range of sources, but the most intense are due to the laser interaction with surrounding mist or liquid fragments, such that measurements near the jet centreline are corrupted and hence discarded. Reliable measurements of mixture fraction, temperature obtained from the sum of the species number densities, and species mole fractions are reported for regions in the flames sufficiently far from the centreline. The paper demonstrates the feasibility of the judicious use of Raman scattering in turbulent spray flames, the results of which will be extremely useful for validating numerical simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synchrotron X-ray based particle image velocimetry to measure multiphase streamflow and densitometry

Synchrotron-based radiation techniques are increasingly used in the field of flow condition measurements. As a complicated multiphase flow, cavitation has been investigated in a wide variety of industrial fields, to prevent damages on spillways at large dams or intensify the bacteria eradication rate during water treatments. To control the detrimental effects of cavitating flows, the dynamics of and mechanisms affecting cavitation development shall be visualized and identified in real-time. Due to the large reflection and scattering effects of multiphase flow, standard visible-light imaging technologies cannot penetrate vapor bubbles and provide extremely limited information. In this study, the synchrotron source emitted high-flux X-ray pulses are used to capture flow motion and visualize internal structures with sufficiently high spatial and temporal resolutions. The image processing procedures on raw x-ray images are developed using 2D Fourier transform (FT) and wavelet transform (WT) to implement the contrast enhancement and de-noising. Through the edge detection algorithm, tracking either seeded particles or phase interfaces inside the opaque multiphase flow can be achieved to perform the particle image velocimetry. Further, with decomposing particle-only and particle-eliminated subplots from the X-ray phase-contrast image, the time-resolved velocity and void fraction fields are obtained simultaneously, paving a way for further flow condition analysis such as densitometry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A new method to retrieve the diurnal variability of planetary boundary layer height from lidar under different thermodynamic stability conditions

The planetary boundary layer height (PBLH) is an important parameter for understanding the accumulation of pollutants and the dynamics of the lower atmosphere. Lidar has been used for tracking the evolution of PBLH by using aerosol backscatter as a tracer, assuming aerosol is generally well-mixed in the PBL; however, the validity of this assumption actually varies with atmospheric stability. This is demonstrated here for stable boundary layers (SBL), neutral boundary layers (NBL), and convective boundary layers (CBL) using an 8-year dataset of micropulse lidar (MPL) and radiosonde (RS) measurements at the ARM Southern Great Plains, and MPL at the GSFC site. Due to weak thermal convection and complex aerosol stratification, traditional gradient and wavelet methods can have difficulty capturing the diurnal PBLH variations in the morning and forenoon, as well as under stable conditions generally. Here a new method is developed that combines lidar-measured aerosol backscatter with a stability dependent model of PBLH temporal variation (DTDS). The latter helps “recalibrate” the PBLH in the presence of a residual aerosol layer that does not change in harmony with PBL diurnal variation. The hybrid method offers significantly improved PBLH detection, with better correlation and smaller biases, under most thermodynamic conditions, especially for SBL and CBL. Relying on the physical process of PBL diurnal development, different schemes are developed for growing, maintenance, and decaying periods. Comprehensive evaluation of this new method shows much better tracking of diurnal PBLH variation and significantly smaller biases under various pollution levels.

54 ENVIRONMENTAL SCIENCES↗

Clustering of inertial particles in turbulent flow through a porous unit cell

We report direct numerical simulation is used to investigate effects of turbulent flow in the confined geometry of a face-centred cubic porous unit cell on the transport, clustering and deposition of fine particles at different Stokes numbers (St = 0.01, 0.1, 0.5, 1, 2) and at a pore Reynolds number of 500. Particles are advanced using one-way coupling and the collision of particles with pore walls is modelled as perfectly elastic with specular reflection. Tools for studying inertial particle dynamics and clustering developed for homogeneous flows are adapted to take into account the embedded, curved geometry of the pore walls. The pattern and dynamics of clustering are investigated using the volume change of Voronoi tesselation in time to analyse the divergence and convergence of the particles. Similar to the case of homogeneous, isotropic turbulence, the cluster formation is present at large volumes, while cluster destruction is prominent at small volumes and these effects are amplified with the Stokes number. However, unlike homogeneous, isotropic turbulence, the formation of a large number of very small volumes was observed at all Stokes numbers and attributed to the collision of particles with the pore wall. Multiscale wavelet analysis of the particle number density indicates that the peak of the energy density spectrum, representative of enhanced particle clustering, shifts towards larger scales with an increase in the Stokes number. Scale-dependent skewness and flatness quantify the intermittent void and cluster distribution, with cluster formation observed at small scales for all Stokes numbers, and void regions at large scales for large Stokes numbers.

42 ENGINEERING↗

Investigating ultrafine aerosol turbulent fluxes during atmospheric new particle formation events

New particle formation (NPF) is an important source of atmospheric aerosols, yet quantitatively predicting its occurrence remains challenging, partly because ground-based measurements cannot capture NPF accurately if they occur in the upper atmosphere. While observations have confirmed the presence of new particles near the top of the planetary boundary layer (PBL), their origins and the direction of their vertical transport have remained ambiguous. Here, we propose and validate an analytical framework using airborne eddy-covariance (EC) and continuous wavelet transform (CWT) to directly quantify the vertical flux of newly formed particles and determine its dominant vertical transportation direction. Analyzing data from a dedicated airborne campaign over the Southern Great Plains, we observed a persistent and strong downward particle flux during NPF events, with a mean value of 133.8 cm?3 m s?¹ downward flux in the entrainment zone, whereas fluxes on non-NPF days were negligible. Our spectral analysis further confirms that these directional fluxes can be reliably captured using standard 1 Hz aerosol instrumentation. These findings suggest that new particle formation, driven by the entrainment of air from the overlying residual/stable layer during PBL growth, is a significant and potentially understudied source of boundary layer aerosols. The framework presented here provides a methodology to correctly attribute NPF events to specific altitudes, thereby improving the mechanistic understanding required for accurate atmospheric models.

Zhang, Ruoyu↗

Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods

A fast and accurate scheme has been developed to evaluate two key molecular parameters (on-site energies and transfer integrals) that govern charge transport in organic supramolecular architecture devices. The scheme is based on a constrained density functional theory (CDFT) approach implemented in the linear-scaling BigDFT code that exploits a wavelet basis set. The method has been applied to model disordered structures generated by force-field simulations. Finally, the role of the environment on the transport parameters has been taken into account by building large clusters around the active molecules involved in the charge transfer.

Chemical calculations↗

Structure of Tiopronin-Protected Silver Nanoclusters in a One-Dimensional Assembly

The preparation and characterization of all-thiol-protected noble-metal nanoclusters represent significant advancements in the field of nanomaterials. One of the emerging trends in the study of silver nanoclusters in particular, is the generation of sulfide-type silver at their surfaces as a result of surface protection by thiols. Here, X-ray absorption spectroscopy (XAS) was used to identify the structure and composition of 2 nm tiopronin-protected silver nanoclusters arranged in one-dimensional chains. Silver K-edge XAS multipath refinements and wavelet-transformed XAS analysis found that the nanoclusters comprised small metal cores surrounded by thick sulfide-type shells. Lastly, this further demonstrates that the sulfide-type shell is a prevalent surface structure throughout silver nanoclusters protected by thiols. In addition, the antibacterial activities of the nanoclusters were also examined; they were found to be active against both Gram-positive and Gram-negative bacteria, thereby shedding light on the effects of both the surface structure and the special arrangement of the nanoclusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Limits of Detection for EXAFS Characterization of Heterogeneous Single-Atom Catalysts

Single-atom catalysts (SACs), consisting of individual metal atoms dispersed on a support, attract attention due to their unique reactivity, efficient use of precious metals, and precise chemical tunability. Characterization of the metal species is crucial to substantiate structure–function relationships. Authors often use—and referees often require—X-ray absorption spectroscopy (XAS) data to prove the absence of clustered metal (or metal oxide) structures after pre-treatment and under in situ or operando conditions. However, there has been no critical assessment of the limitations of XAS in substantiating such conclusive statements, which is particularly important given the potential outsized influence of minority catalyst structures in dictating catalytic activity. Here, in this article, we quantitatively assess the detection limits of XAS to identify metal (or metal oxide) clusters in samples containing predominantly single atoms by modeling the extended X-ray absorption fine structure (EXAFS) of mixtures of structures. We identified that a significant fraction of clusters can coexist with SAC active sites (e.g., ~10% metallic Pt or ~40% oxidized Pt clusters in Pt/CeO 2 SACs), while eluding detection via EXAFS with any statistical significance. To generalize these conclusions, a descriptor-based screening of bulk metal oxides using a continuous Cauchy wavelet transform was proposed that suggests certain materials for which differentiating atomically dispersed metal species and metal oxide clusters would be infeasible by EXAFS (e.g., ReO x ). Based on this analysis, we suggest best practices for the study of SACs using EXAFS and provide recommendations to ensure that conclusions do not outpace the evidence used to support them. In this rapidly expanding research area, rigorous characterization will lead to greater understanding of the behavior of SACs and ultimately improved catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Characterization of Isolated Ga 3+ Cations in Ga/H-MFI Prepared by Vapor-Phase Exchange of H-MFI Zeolite with GaCl 3

Ga/H-MFI was prepared by vapor-phase reaction of GaCl 3 with Brønsted acid O-H groups in dehydrated H-MFI zeolite. The resulting [GaCl 2 ] + cations in the as-exchanged zeolite are treated in H 2 at 823 K to stoichiometrically remove Cl ligands and form [GaH 2 ] + cations. Subsequent oxidation in O 2 and characterization by IR spectroscopy and NH 3 -temperature-programmed desorption (TPD) suggests that, for Ga/Al ratios ≤0.3, Ga 3+ exists predominantly as [Ga(OH) 2 ] + -H + cation pairs and to a lesser degree as [Ga(OH)] 2+ cations at low Ga/Al ratios (~0.1); while both species are associated with proximate cation-exchange sites, calculated free energies of formation suggest that [Ga(OH)] 2+ cations are more stable on cation-exchange sites associated with NNN (next-nearest neighbor) framework Al atoms than on those associated with NNNN (next-next-nearest neighbor) framework Al atoms. Ga K-edge X-ray Absorption Near Edge Spectroscopy (XANES) measurements indicate that, under oxidizing conditions and for all Ga/Al ratios, all Ga species are in the +3 oxidation state and are tetrahedrally coordinated to 4 O atoms. Fourier analysis of Ga K-edge Extended X-ray Absorption Fine Structure (EXAFS) data supports the conclusion that Ga 3+ is present predominantly as [Ga(OH) 2 ] + cations (or [Ga(OH) 2 ] + -H + cation pairs). For Ga/Al ratios ≤0.3, wavelet analysis of EXAFS data provide evidence for backscattering from nearest neighboring O atoms and from next-nearest neighboring framework Al atoms. For Ga/Al > 0.3, backscattering from next-nearest neighboring Ga atoms is also evident, characteristic of GaO x species. Here, upon reduction in H 2 , the oxidized Ga 3+ species produce [Ga(OH)H] + -H + cation pairs, [GaH 2 ] + -H + cation pairs, and [GaH] 2+ cations. Computed phase diagrams indicate that the thermodynamic stability of the reduced Ga 3+ species depends sensitively on temperature, Al-Al interatomic distance, and H 2 and H 2 O partial pressures. For Ga/Al ratios ≤0.2, it is concluded that [GaH 2 ] + -H + cation pairs and [GaH] 2+ cations are the predominant species present in Ga/H-MFI reduced above 673 K in 10 5 Pa H 2 and in the absence of water vapor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗