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At least 757 records · Page 42

Structure retrieval from four-dimensional scanning transmission electron microscopy: Statistical analysis of potential pitfalls in high-dimensional data

Four-dimensional (4D) scanning transmission electron microscopy is one of the most rapidly growing modes of electron microscopy imaging. The advent of fast pixelated cameras and the associated data infrastructure have greatly accelerated this process. Yet conversion of the 4D datasets into physically meaningful structure images in real space remains an open issue. In this work, we demonstrate that it is possible to systematically create filters that will affect the apparent resolution or even qualitative features of the real-space structure image, reconstructing artificially generated patterns. As initial efforts, we explore statistical model selection algorithms, aiming for robustness and reliability of estimated filters. This statistical model selection analysis demonstrates the need for regularization and cross validation of inversion methods to robustly recover structure from high-dimensional diffraction datasets.

36 MATERIALS SCIENCE↗

Modeling single-molecule stretching experiments using statistical thermodynamics

Single-molecule stretching experiments are widely utilized within the fields of physics and chemistry to characterize the mechanics of individual bonds or molecules, as well as chemical reactions. Analytic relations describing these experiments are valuable, and these relations can be obtained through the statistical thermodynamics of idealized model systems representing the experiments. Since the specific thermodynamic ensembles manifested by the experiments affect the outcome, primarily for small molecules, the stretching device must be included in the idealized model system. Though the model for the stretched molecule might be exactly solvable, including the device in the model often prevents analytic solutions. In the limit of large or small device stiffness, the isometric or isotensional ensembles can provide effective approximations, but the device effects are missing. Here a dual set of asymptotically correct statistical thermodynamic theories are applied to develop accurate approximations for the full model system that includes both the molecule and the device. In conclusion, the asymptotic theories are first demonstrated to be accurate using the freely jointed chain model and then using molecular dynamics calculations of a single polyethylene chain.

74 ATOMIC AND MOLECULAR PHYSICS↗

Statistics of velocity fluctuations of Geldart A particles in a circulating fluidized bed riser

Here, the statistics of fluctuating velocity components are studied in the riser of a closed-loop circulating fluidized bed with fluid catalytic cracking catalyst particles. Our analysis shows distinct similarities as well as deviations compared to existing theories and bench-scale experiments. The study confirms anisotropic and non-Maxwellian distribution of fluctuating velocity components. The velocity distribution functions (VDFs) corresponding to transverse fluctuations exhibit symmetry, and follow a stretched-exponential behavior up to three standard deviations. The form of the transverse VDF is largely determined by interparticle interactions. The tails become more overpopulated with an increase in particle loading. The observed deviations from the Gaussian distribution are represented using the leading order term in the Sonine expansion, which is commonly used to approximate the VDFs in kinetic theory for granular flows. The vertical fluctuating VDFs are asymmetric and the skewness shifts as the wall is approached. In comparison to transverse fluctuations, the vertical VDF is determined by the local hydrodynamics. This is an observation of particle velocity fluctuations in a large-scale system and their quantitative comparison with the Maxwell-Boltzmann statistics.

42 ENGINEERING↗

Statistical properties of homogeneous and isotropic turbulence in He II measured via particle tracking velocimetry

Despite being a quantum two-fluid system, superfluid helium-4 (He II) is observed to behave similarly to classical fluids when a flow is generated by mechanical forcing. This similarity has brought up the feasibility of utilizing He II for high Reynolds number classical turbulence research, considering the small kinematic viscosity of He II. However, it has been suggested that the nonclassical dissipation mechanism in He II at small scales may alter its turbulent statistics and intermittency. In this work, we report our study of a nearly homogeneous and isotropic turbulence (HIT) generated by a towed grid in He II. We measure the velocity field using particle tracking velocimetry with solidified deuterium particles as the tracers. By correlating the velocities measured simultaneously on different particle trajectories or at different times along the same particle trajectory, we are able to conduct both Eulerian and Lagrangian flow analyses. Spatial velocity structure functions obtained through the Eulerian analysis show scaling behaviors in the inertial subrange similar to that for classical HIT but with enhanced intermittency. The Lagrangian analysis allows us to examine the flow statistics down to below the dissipation length scale. Interestingly, abnormal deviations from the classical scaling behaviors are observed in this regime. Lastly, we discuss how these deviations may relate to the motion of quantized vortices in the superfluid component in He II.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analysis of real-fluid thermodynamic effects on turbulent statistics in transcritical channel flows

Wall-bounded turbulence at high-pressure transcritical conditions with intense density fluctuations are encountered in many technical applications. In this study, we analyze the turbulent energy transport in transcritical channel flows specifically focusing on dissipation rate, turbulent kinetic energy budgets, heat fluxes, and momentum-fluctuation statistics; results from this analysis are used to guide the development of turbulent scaling laws. Furthermore, we find that the dissipation rate of turbulent kinetic energy is dominated by the enstrophy in the logarithmic layer, and the fluctuating viscosity results in the reduced tilting of the vortical structures and the attenuation of streamwise vorticity in the near-wall layer; the fluctuating viscosity attenuates the dissipation rate by reducing the shear strain and the enstrophy production. Local equilibrium of the turbulent kinetic energy exists in the logarithmic layer. We show that the real-fluid thermodynamic effects significantly change the turbulent heat flux correlated with the sweep and the ejection events; the density changes alter the turbulent transport and result in noticeable magnitudes of density-fluctuation-related momentum-fluctuation statistics. From these results, scaling laws for the turbulent length scales and turbulent kinetic energy budgets are proposed, thereby contributing to improvement of the wall models in large-eddy simulations and Reynolds-averaged Navier-Stokes (RANS) simulations.

42 ENGINEERING↗

Statistics of Fractionalized Excitations through Threshold Spectroscopy

We show that neutral anyonic excitations have a signature in spectroscopic measurements of materials: The low-energy onset of spectral functions near the threshold follows universal power laws with an exponent that depends only on the statistics of the anyons. This provides a route, using experimental techniques such as neutron scattering and tunneling spectroscopy, for detecting anyonic statistics in topologically ordered states such as gapped quantum spin liquids and hypothesized fractional Chern insulators. Our calculations also explain some recent theoretical results in spin systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Universal Statistics of Topological Defects Formed in a Quantum Phase Transition

We report when a quantum phase transition is crossed in finite time, critical slowing down leads to the breakdown of adiabatic dynamics and the formation of topological defects. The average density of defects scales with the quench rate following a universal power law predicted by the Kibble-Zurek mechanism. We analyze the full counting statistics of kinks and report the exact kink number distribution in the transverse-field quantum Ising model. Kink statistics is described by the Poisson binomial distribution with all cumulants exhibiting a universal power law scaling with the quench rate. Lastly, in the absence of finite-size effects, the distribution approaches a normal one, a feature that is expected to apply broadly in systems described by the Kibble-Zurek mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Statistical perspective on embrittling potency for intergranular fracture

Embrittling potency is a thermodynamic metric that assesses the influence of solute segregation to a grain boundary (GB) on intergranular fracture. Historically, authors of studies have reported embrittling potency as a single scalar value, assuming a single segregation site of importance at a GB and a particular cleavage plane. However, the topography of intergranular fracture surfaces is not generally known a priori. Accordingly, we, in this study, present a statistical ensemble approach to compute embrittling potency, where many free surface (FS) permutations are systematically considered to model fracture of a GB. The result is a statistical description of the thermodynamics of GB embrittlement. As a specific example, embrittling potency distributions are presented for Cr segregation to sites at two Ni $\langle 111 \rangle$ symmetric tilt GBs using atomistic simulations. We show that the average embrittling potency for a particular GB site, considering an ensemble of FS permutations, is not equal to the embrittling potency computed using the lowest energy pair of FSs. A mean GB embrittlement is proposed, considering both the likelihood of formation of a particular FS and the probability of solute occupancy at each GB site, to compare the relative embrittling behavior of two distinct GBs.

36 MATERIALS SCIENCE↗

Techniques for improved statistical convergence in quantification of eddy diffusivity moments

While recent approaches, such as the macroscopic forcing method (MFM) or Green's function-based approaches, can be used to compute Reynolds-averaged Navier-Stokes closure operators using forced direct numerical simulations, MFM can also be used to directly compute moments of the effective nonlocal and anisotropic eddy diffusivities. The low-order spatial and temporal moments contain limited information about the eddy diffusivity but are often sufficient for quantification and modeling of nonlocal and anisotropic effects. However, when using MFM to compute eddy diffusivity moments, the statistical convergence can be slow for higher-order moments. In this work, we demonstrate that using the same direct numerical simulation (DNS) for all forced MFM simulations improves statistical convergence of the eddy diffusivity moments. We present its implementation in conjunction with a decomposition method that handles the MFM forcing semianalytically and allows for consistent boundary condition treatment, which we develop for both scalar and momentum transport. We demonstrate that for a two-dimensional Rayleigh-Taylor instability case study, using the same DNS for all forced MFM simulations results in convergence with 𝒪⁡(100) simulations rather than 𝒪⁡(1000) simulations. In conclusion, we then demonstrate the impacts of improved convergence on the quantification of the eddy diffusivity.

general physics↗

K-space algorithmic reconstruction (KAREN): a robust statistical methodology to separate Bragg and diffuse scattering

Diffuse scattering occurring in the Bragg diffraction pattern of a long-range-ordered structure represents local deviation from the governing regular lattice. However, interpreting the real-space structure from the diffraction pattern presents a significant challenge because of the dramatic difference in intensity between the Bragg and diffuse components of the total scattering function. In contrast to the sharp Bragg diffraction, the diffuse signal has generally been considered to be a weak expansive or continuous background signal. In this paper, using 1D and 2D models, it is demonstrated that diffuse scattering in fact consists of a complex array of high-frequency features that must not be averaged into a low-frequency background signal. To evaluate the actual diffuse scattering effectively, an algorithm has been developed that uses robust statistics and traditional signal processing techniques to identify Bragg peaks as signal outliers which can be removed from the overall scattering data and then replaced by statistically valid fill values. This method, described as a 'K-space algorithmic reconstruction' (KAREN), can identify Bragg reflections independent of prior knowledge of a system's unit cell. KAREN does not alter any data other than that in the immediate vicinity of the Bragg reflections, and reconstructs the diffuse component surrounding the Bragg peaks without introducing discontinuities which induce Fourier ripples or artifacts from underfilling `punched' voids. The KAREN algorithm for reconstructing diffuse scattering provides demonstrably better resolution than can be obtained from previously described punch-and-fill methods. The superior structural resolution obtained using the KAREN method is demonstrated by evaluating the complex ordered diffuse scattering observed from the neutron diffraction of a single plastic crystal of CBr 4 using pair distribution function analysis.

36 MATERIALS SCIENCE↗

Statistical Analysis of Inter-Area Oscillations in the U.S. Eastern Interconnection: A 2017-2023 Perspective

Recent advancements and the accumulation of high-resolution, long-term phasor measurement unit (PMU) data have provided detailed insights into inter-area oscillations in power grids. This study conducts a comprehensive statistical analysis of inter-area oscillations within the United States Eastern Interconnection from 2017 to 2023. Utilizing data captured by the advanced wide-area Frequency Monitoring Network (FNET/GridEye), this investigation examines the occurrence patterns, dominant frequencies, damping ratios, and excitation mechanisms of these oscillations. Our analysis sheds light on the evolving statistical behaviors of inter-area oscillations, offering updated and critical information for grid operators and planners. The insights gained from this study can be instrumental in enhancing the operational resilience of the power network and guiding strategic developments in grid infrastructure to accommodate future challenges. Additionally, the study discusses emerging challenges associated with the modernization of the power grid, including increased renewable penetration, dynamic load variability, and cyber-physical vulnerabilities that complicate oscillation monitoring and control.

Inter-area oscillations↗

Statistical projections for multi-dimensional visual data exploration

When working with large, multidimensional and multivariate data, science users are frequently interested in understanding variation in data, as opposed to the actual data values. Our work focuses on exploring how a simple statistical metric, the Coefficient of Variation (or Cv), can be used in several different ways to facilitate understanding variation in large data. As a statistical measure, it offers a key advantage over more widely accepted measures like standard deviation, namely to its ability to capture local variation properties. As a multidimensional projection operator, Cv is an effective way of reducing data size while preserving the key variational signal. Visualizations produced from Cv that target conveying variation in data are highly informative, especially compared to those produced with more widely known methods. We demonstrate these ideas within the context of a two-part application case study focusing on understanding long-Term trends in the the changes in precipitation and winds in large-scale climate model ensemble output.

Nguyen, H↗

zPerf: A Statistical Gray-Box Approach to Performance Modeling and Extrapolation for Scientific Lossy Compression

With the scaling up of simulation-based scientific discovery on high-performance computing systems, the disparity between compute and I/O has increased, forcing domain scientists to save only a small amount of simulation data to persistent storage. This can result in the loss of essential physics fields that are needed for data analysis. While error-bounded lossy compression has made tremendous progress in bridging the gap between compute and I/O, the lack of understanding of compression performance remains a key hurdle to its wide adoption. Here, in this work, we present zPerf, a statistical gray-box performance modeling approach for scientific lossy compression. Our contributions are threefold: 1) We develop zPerf to estimate the performance of lossy compression techniques, based on in-depth understanding and statistical modeling for data features and core compression metrics; 2) We demonstrate the in-detailed implementation of zPerf using two case studies, where we derive the performance modeling for SZ and ZFP, two leading lossy compressors; 3) We evaluate the effectiveness of zPerf on real-world datasets across various domains. Based on the evaluation, we demonstrate the efficacy of the zPerf performance model; 4) We further discuss three case studies where zPerf is applied to extrapolate the compression ratio of SZ and ZFP with alternative encoding schemes as well as ZFP with an alternative transform scheme. Through the case studies, we demonstrate the potential of zPerf for exploring the design space of lossy compression, which has hardly been studied in the literature.

97 MATHEMATICS AND COMPUTING↗

Joint Estimation of Topology and Injection Statistics in Distribution Grids with Missing Nodes

Optimal operation of distribution grid resources relies on accurate estimation of its state and topology. Practical estimation of such quantities is complicated by the limited presence of real-time meters. This article discusses a theoretical framework to jointly estimate the operational topology and statistics of injections in radial distribution grids under limited availability of nodal voltage measurements. In particular, we show that our proposed algorithms are able to provably learn the exact grid topology and injection statistics at all unobserved nodes as long as they are not adjacent. The algorithm design is based on novel ordered trends in voltage magnitude fluctuations at node groups, that are independently of interest for radial physical flow networks. The complexity of the designed algorithms is theoretically analyzed and their performance is validated using both linearized and nonlinear ac power flow samples in test distribution grids.

97 MATHEMATICS AND COMPUTING↗

Low dose dynamic CT myocardial perfusion imaging using a statistical iterative reconstruction method

Purpose: Dynamic CT myocardial perfusion imaging has the potential to provide both functional and anatomical information regarding coronary artery stenosis. However, radiation dose can be potentially high due to repeated scanning of the same region. The purpose of this study is to investigate the use of statistical iterative reconstruction to improve parametric maps of myocardial perfusion derived from a low tube current dynamic CT acquisition. Methods: Four pigs underwent high (500 mA) and low (25 mA) dose dynamic CT myocardial perfusion scans with and without coronary occlusion. To delineate the affected myocardial territory, an N-13 ammonia PET perfusion scan was performed for each animal in each occlusion state. Filtered backprojection (FBP) reconstruction was first applied to all CT data sets. Then, a statistical iterative reconstruction (SIR) method was applied to data sets acquired at low dose. Image voxel noise was matched between the low dose SIR and high dose FBP reconstructions. CT perfusion maps were compared among the low dose FBP, low dose SIR and high dose FBP reconstructions. Numerical simulations of a dynamic CT scan at high and low dose (20:1 ratio) were performed to quantitatively evaluate SIR and FBP performance in terms of flow map accuracy, precision, dose efficiency, and spatial resolution. Results: Forin vivo studies, the 500 mA FBP maps gave −88.4%, −96.0%, −76.7%, and −65.8% flow change in the occluded anterior region compared to the open-coronary scans (four animals). The percent changes in the 25 mA SIR maps were in good agreement, measuring −94.7%, −81.6%, −84.0%, and −72.2%. The 25 mA FBP maps gave unreliable flow measurements due to streaks caused by photon starvation (percent changes of +137.4%, +71.0%, −11.8%, and −3.5%). Agreement between 25 mA SIR and 500 mA FBP global flow was −9.7%, 8.8%, −3.1%, and 26.4%. The average variability of flow measurements in a nonoccluded region was 16.3%, 24.1%, and 937.9% for the 500 mA FBP, 25 mA SIR, and 25 mA FBP, respectively. In numerical simulations, SIR mitigated streak artifacts in the low dose data and yielded flow maps with mean error <7% and standard deviation <9% of mean, for 30×30 pixel ROIs (12.9 × 12.9 mm{sup 2}). In comparison, low dose FBP flow errors were −38% to +258%, and standard deviation was 6%–93%. Additionally, low dose SIR achieved 4.6 times improvement in flow map CNR{sup 2} per unit input dose compared to low dose FBP. Conclusions: SIR reconstruction can reduce image noise and mitigate streaking artifacts caused by photon starvation in dynamic CT myocardial perfusion data sets acquired at low dose (low tube current), and improve perfusion map quality in comparison to FBP reconstruction at the same dose.

60 APPLIED LIFE SCIENCES↗

TU-C-12A-02: Development of a Multiparametric Statistical Response Map for Quantitative Imaging

Purpose: Quantitative imaging biomarkers (QIB) are becoming increasingly utilized in early phase clinical trials as a means of non-invasively assessing treatment response and associated response heterogeneity. The aim of this study was to develop a flexible multiparametric statistical framework to predict voxel-by-voxel response of several potential MRI QIBs. Methods: Patients with histologically proven glioblastomas (n=11) were treated with chemoradiation (with/without bevacizumab) and underwent one baseline and two mid-treatment (3–4wks) MRIs. Dynamic contrast-enhanced (3D FSPGR, 6.3sec/phase, 0.1 mmol/kg Gd-DTPA), dynamic susceptibility contrast (2D GRE-EPI, 1.5sec/phase, 0.2mmol/kg Gd-DTPA), and diffusion tensor (2D DW-EPI, b=0, 1200 s/mm{sup 2}, 27 directions) imaging acquisitions were obtained during each study. Mid-treatment and pre-treatment images were rigidly aligned, and regions of partial response (PR), stable disease (SD), and progressive disease (PD) were contoured in consensus by two experienced radiation oncologists. Voxels in these categories were used to train ordinal (PR<SD<PD) and logistic (PR/SD<PD) models incorporating the apparent diffusion coefficient, fractional anisotropy, Ktrans, ve, vp, and relative cerebral blood volume imaging biomarkers, as well as treatment type. Leave-one-out cross-validation was performed at the patient level to assess model prediction accuracy. Results: Ordinal regression resulted in model prediction accuracies of 60% (PR), 0% (SD), 81% (PD), and 69% (overall), with coefficients of variation (COV) of 9.4%, 9.6%, and 23.6%, respectively. Logistic regression resulted in accuracies of 82.0% (PR/SD), 46.2% (PD), and 76.2% (overall) with COVs of 22.4%, 45.7%, and 23.8%, respectively. Conclusion: Despite limited patient numbers, this feasibility pilot study demonstrates that ordinal and logistic regression models potentially provide a flexible statistical framework for incorporating longitudinal multiparametric quantitative imaging data and, for these particular data, can potentially distinguish PR from PD. Additional training data exhibiting a full range of treatment responses is expected to allow prediction of all three treatment outcomes. Moreover, these models are extensible to multi-modality, multiparametric analyses.

60 APPLIED LIFE SCIENCES↗

TH-C-18A-01: Is Automatic Tube Current Modulation Still Necessary with Statistical Iterative Reconstruction?

Purpose: Automatic tube current modulation (TCM) has been widely used in modern multi-detector CT to reduce noise spatial nonuniformity and streaks to improve dose efficiency. With the advent of statistical iterative reconstruction (SIR), it is expected that the importance of TCM may diminish, since SIR incorporates statistical weighting factors to reduce the negative influence of photon-starved rays. The purpose of this work is to address the following questions: Does SIR offer the same benefits as TCM? If yes, are there still any clinical benefits to using TCM? Methods: An anthropomorphic CIRS chest phantom was scanned using a state-of-the-art clinical CT system equipped with an SIR engine (Veo™, GE Healthcare). The phantom was first scanned with TCM using a routine protocol and a low-dose (LD) protocol. It was then scanned without TCM using the same protocols. For each acquisition, both FBP and Veo reconstructions were performed. All scans were repeated 50 times to generate an image ensemble from which noise spatial nonuniformity (NSN) and streak artifact levels were quantified. Monte-Carlo experiments were performed to estimate skin dose. Results: For FBP, noise streaks were reduced by 4% using TCM for both routine and LD scans. NSN values were actually slightly higher with TCM (0.25) than without TCM (0.24) for both routine and LD scans. In contrast, for Veo, noise streaks became negligible (<1%) with or without TCM for both routine and LD scans, and the NSN was reduced to 0.10 (low dose) or 0.08 (routine). The overall skin dose was 2% lower at the shoulders and more uniformly distributed across the skin without TCM. Conclusion: SIR without TCM offers superior reduction in noise nonuniformity and streaks relative to FBP with TCM. For some clinical applications in which skin dose may be a concern, SIR without TCM may be a better option. K. Li, W. Zhao, D. Gomez-Cardona: Nothing to disclose; G.-H. Chen: Research funded, General Electric Company Research funded, Siemens AG Research funded, Varian Medical Systems, Research funded, Hologic, Inc.

60 APPLIED LIFE SCIENCES↗

Ultralow dose computed tomography attenuation correction for pediatric PET CT using adaptive statistical iterative reconstruction

Purpose: To develop ultralow dose computed tomography (CT) attenuation correction (CTAC) acquisition protocols for pediatric positron emission tomography CT (PET CT). Methods: A GE Discovery 690 PET CT hybrid scanner was used to investigate the change to quantitative PET and CT measurements when operated at ultralow doses (10–35 mA s). CT quantitation: noise, low-contrast resolution, and CT numbers for 11 tissue substitutes were analyzed in-phantom. CT quantitation was analyzed to a reduction of 90% volume computed tomography dose index (0.39/3.64; mGy) from baseline. To minimize noise infiltration, 100% adaptive statistical iterative reconstruction (ASiR) was used for CT reconstruction. PET images were reconstructed with the lower-dose CTAC iterations and analyzed for: maximum body weight standardized uptake value (SUV{sub bw}) of various diameter targets (range 8–37 mm), background uniformity, and spatial resolution. Radiation dose and CTAC noise magnitude were compared for 140 patient examinations (76 post-ASiR implementation) to determine relative dose reduction and noise control. Results: CT numbers were constant to within 10% from the nondose reduced CTAC image for 90% dose reduction. No change in SUV{sub bw}, background percent uniformity, or spatial resolution for PET images reconstructed with CTAC protocols was found down to 90% dose reduction. Patient population effective dose analysis demonstrated relative CTAC dose reductions between 62% and 86% (3.2/8.3–0.9/6.2). Noise magnitude in dose-reduced patient images increased but was not statistically different from predose-reduced patient images. Conclusions: Using ASiR allowed for aggressive reduction in CT dose with no change in PET reconstructed images while maintaining sufficient image quality for colocalization of hybrid CT anatomy and PET radioisotope uptake.

60 APPLIED LIFE SCIENCES↗