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DOE OSTI2012

Image quality evaluation of breast tomosynthesis with synchrotron radiation

Purpose: This study investigates the image quality of tomosynthesis slices obtained from several acquisition sets with synchrotron radiation using a breast phantom incorporating details that mimic various breast lesions, in a heterogeneous background. Methods: A complex Breast phantom (MAMMAX) with a heterogeneous background and thickness that corresponds to 4.5 cm compressed breast with an average composition of 50% adipose and 50% glandular tissue was assembled using two commercial phantoms. Projection images using acquisition arcs of 24 Degree-Sign , 32 Degree-Sign , 40 Degree-Sign , 48 Degree-Sign , and 56 Degree-Sign at incident energy of 17 keV were obtained from the phantom with the synchrotron radiation for medical physics beamline at ELETTRA Synchrotron Light Laboratory. The total mean glandular dose was set equal to 2.5 mGy. Tomograms were reconstructed with simple multiple projection algorithm (MPA) and filtered MPA. In the latter case, a median filter, a sinc filter, and a combination of those two filters were applied on the experimental data prior to MPA reconstruction. Visual inspection, contrast to noise ratio, contrast, and artifact spread function were the figures of merit used in the evaluation of the visualisation and detection of low- and high-contrast breast features, as a function of the reconstruction algorithm and acquisition arc. To study the benefits of using monochromatic beams, single projection images at incident energies ranging from 14 to 27 keV were acquired with the same phantom and weighted to synthesize polychromatic images at a typical incident x-ray spectrum with W target. Results: Filters were optimised to reconstruct features with different attenuation characteristics and dimensions. In the case of 6 mm low-contrast details, improved visual appearance as well as higher contrast to noise ratio and contrast values were observed for the two filtered MPA algorithms that exploit the sinc filter. These features are better visualized at extended arc length, as the acquisition arc of 56 Degree-Sign with 15 projection images demonstrates the highest image reconstruction quality. For microcalcifications, filtered MPA implemented with a combination of median and sinc filters indicates better feature appearance due to efficient suppression of background tissue. The image quality of these features is less sensitive to the acquisition arc. Calcifications with size ranging from 170 to 500 {mu}m, like the ones presently studied, are well identified and visualized for all arcs used. The comparison of single projection images obtained under different beam conditions showed that the use of monochromatic beam can produce an image with higher contrast and contrast to noise ratio compared to an image corresponding to a polychromatic beam even when the latter is acquired with double incident exposure. Conclusions: Filter optimization in respect to the type of feature characteristics is important before the reconstruction. The MPA combined with median and sinc filters results in improved reconstruction of microcalcifications and low-contrast features. The latter are better visualized at extended arc length, while microcalcifications are less sensitive to this acquisition parameter. Use of monochromatic beams may result in tomographic images with higher contrast acquired at lower incident exposures.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

HQ-Sim: High-performance State Vector Simulation of Quantum Circuits on Heterogeneous HPC Systems

Quantum circuit simulations are applied in more and more circum- stances as the quantum computing community becomes broader. It helps researchers to evaluate quantum algorithms and relieve the burden of limited quantum computing resources. However, most of the state-of-the-art quantum simulators utilize either CPU or GPU to store and calculate the state vector, which results in resource starvation. Moreover, the maximum number of qubits supported by the simulator is bounded by the memory, since the memory utilization increases exponentially with the number of qubits. In this study, we leverage Heterogeneous computing to utilize both CPU and GPU to store and update state vectors. We also integrate lossy data compression to reduce memory requirements. Specifically, we develop a heterogeneous framework that has a dynamic scheduler to fully utilize the computing resources. We apply lossy compression to chunked state vector to make the maximum number of qubits higher than the regular simulators, the compression also benefits the data movement between CPU and GPU.

Zhang, Boyuan↗

DOE OSTI2019

Reconstructing high-dimensional Hilbert-valued functions via compressed sensing

We present and analyze a novel sparse polynomial technique for approximating high-dimensional Hilbert-valued functions, with application to parameterized partial differential equations (PDEs) with deterministic and stochastic inputs. Our theoretical framework treats the function approximation problem as a joint sparse recovery problem, where the set of jointly sparse vectors is possibly infinite. To achieve the simultaneous reconstruction of Hilbert-valued functions in both parametric domain and Hilbert space, we propose a novel mixed-norm based `1 regularization method that exploits both energy and sparsity. Our approach requires extensions of concepts such as the restricted isometry and null space properties, allowing us to prove recovery guarantees for sparse Hilbert-valued function reconstruction. We complement the enclosed theory with an algorithm for Hilbert-valued recovery, based on standard forward-backward algorithm, meanwhile establishing its strong convergence in the considered infinite-dimensional setting. Finally, we demonstrate the minimal sample complexity requirements of our approach, relative to other popular methods, with numerical experiments approximating the solutions of high-dimensional parameterized elliptic PDEs.

Dexter, Nick↗

DOE OSTI2022

Quantum time dynamics employing the Yang-Baxter equation for circuit compression

Quantum time dynamics (QTD) is considered a promising problem for quantum supremacy on near-term quantum computers. However, QTD quantum circuits grow with increasing time simulations. This study focuses on simulating the time dynamics of one-dimensional (1D) integrable spin chains with nearest-neighbor interactions. We have proved the existence of a reflection symmetry in the quantum circuit employed for simulating the time evolution of certain classes of 1D Heisenberg model Hamiltonians by virtue of the quantum Yang-Baxter equation, and how this symmetry can be exploited to compress and produce a shallow quantum circuit. With this compression scheme, the depth of the quantum circuit becomes independent of step size and only depends on the number of spins. We show that the depth of the compressed circuit is rigorously a linear function of the system size for the studied Heisenberg model Hamiltonians in the present work. As a consequence, the number of CNOT gates in the compressed circuit only scales quadratically with the system size, which allows for the simulations of time dynamics of very large 1D spin chains. We derive the compressed circuit representations for different special cases of the Heisenberg Hamiltonian. We compare and demonstrate the effectiveness of this approach by performing simulations on quantum computers.

1-dimensional spin chains↗

DOE OSTI2014

WE-G-18A-05: Cone-Beam CT Reconstruction with Deformed Prior Image

Purpose: Prior image can be incorporated into image reconstruction process to improve the quality of on-treatment cone-beam CT (CBCT) from sparseview or low-dose projections. However, the deformation between the prior image and on-treatment CBCT are not considered in current prior image based reconstructions (e.g., prior image constrained compressed sensing (PICCS)). The purpose of this work is to develop a deformed-prior-imagebased- reconstruction strategy (DPIR) to address the mismatch problem between the prior image and target image. Methods: The deformed prior image is obtained by a projection based registration approach. Specifically, the deformation vector fields (DVF) used to deform the prior image is estimated through matching the forward projection of the prior image and the measured on-treatment projection. The deformed prior image is then used as the prior image in the standard PICCS algorithm. Simulation studies on the XCAT phantom was conducted to evaluate the performance of the projection based registration procedure and the proposed DPIR strategy. Results: The deformed prior image matches the geometry of on-treatment CBCT closer as compared to the original prior image. Using the deformed prior image, the quality of the image reconstructed by DPIR from few-view projection data is greatly improved as compared to the standard PICCS algorithm. The relative image reconstruction error is reduced to 11.13% in the proposed DPIR from 17.57% in the original PICCS. Conclusion: The proposed DPIR approach can solve the mismatch problem between the prior image and target image, which overcomes the limitation of the original PICCS algorithm for CBCT reconstruction from sparse-view or low-dose projections.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1988

Accurate multigrid solution of the Euler equations on unstructured and adaptive meshes

A method for accurately solving inviscid compressible flow in the subcritical and supercritical regimes about complex configurations is presented. The method is based on the use of unstructured triangular meshes in two dimensions, and special emphasis is placed on the accuracy and efficiency of the solutions. High accuracy is achieved by careful scaling of the artificial dissipation terms, and by reformulating the inner and outer boundary conditions for both the convective and dissipative operators. An adaptive grid refinement strategy is presented which enhances the solution accuracy for complex flows. When coupled with an unstructured multigrid algorithm, this method is shown to produce an efficient solver for flows about arbitrary configurations.

Mavriplis, Dimitri J.↗

NASA NTRS1988

Accurate multigrid solution of the Euler equations on unstructured and adaptive meshes

Mavriplis, Dimitri J.↗

DOE OSTI2016

Global Sensitivity Analysis with Small Sample Sizes: Ordinary Least Squares Approach

A new version of global sensitivity analysis is developed in this paper. This new version coupled with tools from statistics, machine learning, and optimization can devise small sample sizes that allow for the accurate ordering of sensitivity coefficients for the first 10-30 most sensitive chemical reactions in complex chemical-kinetic mechanisms, and is particularly useful for studying the chemistry in realistic devices. A key part of the paper is calibration of these small samples. Because these small sample sizes are developed for use in realistic combustion devices, the calibration is done over the ranges of conditions in such devices, with a test case being the operating conditions of a compression ignition engine studied earlier. Compression ignition engines operate under low-temperature combustion conditions with quite complicated chemistry making this calibration difficult, leading to the possibility of false positives and false negatives in the ordering of the reactions. So an important aspect of the paper is showing how to handle the trade-off between false positives and false negatives using ideas from the multiobjective optimization literature. The combination of the new global sensitivity method and the calibration are sample sizes a factor of approximately 10 times smaller than were available with our previous algorithm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Modeling of wave processes in blocky media with porous and fluid-saturated interlayers

The wave processes in blocky media are analyzed by applying different mathematical models, wherein the elastic blocks interact with each other via pliant interlayers with the complex mechanical properties. Four versions of constitutive equations are considered. In the first version, an elastic interaction between the blocks is simulated within the framework of linear elasticity theory, and the model of elastic–plastic interlayers is constructed to take into account the appearance of irreversible deformation of interlayers at short time intervals. In the second one, the effects of viscoelastic shear in the interblock interlayers are taken into the consideration using the Poynting–Thomson rheological scheme. In the third option, the model of an elastic porous material is used in the interlayers, where the pores collapse if an abrupt compressive stress is applied. In the fourth case, the model of a fluid-saturated material with open pores is examined based on Biot's equations. The collapse of pores is modeled by the generalized rheological approach, wherein the mechanical properties of a material are simulated using four rheological elements. Three of them are the traditional elastic, viscous and plastic elements, the fourth element is the so-called rigid contact, which is used to describe the behavior of materials with the different resistance to tension and compression. It was shown that the thermodynamically consistent model is provided, which means that the energy balance equation is fulfilled for an entire blocky structure, where the kinetic and potential energy of the system is the sum of the kinetic and potential energies of the blocks and interlayers. Under numerical implementation of the interlayers models, the dissipationless finite difference Ivanov's method was used. The splitting method by spatial variables in the combination with the Godunov gap decay scheme was applied in the blocks. As a result, robust and stable computational algorithms are built and tested. Using MPI technology, the parallel software was designed for the modeling of wave processes in 2D setting. The numerical results are presented, discussed and future studies are outlined. - Highlights: • We model the propagation of waves in a blocky medium with compliant interlayers. • Models of porous and fluid saturated interlayers are proposed using Biot's approach. • A parallel computational algorithm is developed for supercomputers of cluster type. • Problems of instant rotation of central and boundary blocks are solved numerically. • Wave motions are compared in the cases of elastic and fluid-saturated interlayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

SU-F-BRB-01: How Effective Is Abdominal Compression at Reducing Lung Motion? An Analysis Using Deformable Image Registration Within Different Sub-Regions of the Lung

Purpose: To investigate the effectiveness of employing abdominal compression (AC) in reducing motion for the target region and sub-regions of the lung as part of the planning process for radiation therapy. Methods: Fourteen patients with early lung cancer were scanned with 4DCT and it was determined that target motion exceeded our institutional limit of > 8 mm motion and received a repeat 4DCT with AC. For each 4DCT, deformable image registration (DIR) was used to map the max inhale to the max exhale phase to determine the deformation vector fields (DVF). DIR was performed with Morphons and Demons algorithms. The mean DVF was used to represent that sub-region for each patient. The magnitudes of the mean DVF were quantified for the target and 12 sub-regions in the AP, LR SI directions. The sub-regions were contoured on each lung as (add prefix R or L for lung): Upper-Anterior (UA), Upper-Posterior (UP), Mid-Anterior (MA), Mid-Posterior (MP), Lower-Anterior (LA) and Lower-Posterior (LP). Results: The min/max SI motion for the target on the uncompressed 4DCT was 8mm/24.5 mm. The magnitude of decrease in SI was greatest in the RLP region (3.7±4.0mm) followed by target region (3.3±2.2mm) and finally the LLP region (3.0±3.5mm). The magnitude of decrease in 3D vector followed the same trend; RLP (3.5±2.2mm) then GTV (3.5±2.6mm) then LLP (2.7±3.8mm). 79% of the cases had a SI decrease of >12.5%, 43% had a SI decrease of >25% and 21% had a SI decrease of >50% as compared to the motion on the uncompressed 4DCT. Conclusion: AC is useful in reducing motion with the largest decreases observed in the lower posterior regions of the lungs. However, it should be noted that AC will not greatly decrease motion for all cases as 21% of cases did not reduce SI motion more than 12.5% of initial motion.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Simulation of Internal Combustion Engines with High-Performance Computing Tools

Traditional Lagrangian spray modeling approaches for internal combustion engines are highly griddependent due to insufficient resolution in the near nozzle region. This is primarily because of inherent restrictions of volume fraction with the Lagrangian assumption together with high computational costs associated with small grid sizes. A state-of-the-art grid-convergent spray modeling approach was developed and implemented by Senecal et al. (ASME-ICEF2012-92043) in the CONVERGE software. The key features of the methodology include Adaptive Mesh Refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, which enables use of cell sizes smaller than the nozzle diameter. This modeling approach was rigorously validated against nonevaporating, evaporating, and reacting data from the literature. The current numerical study focusses on further demonstration of the grid-convergent modeling approach for simulating a single-cylinder Cat® compression ignition engine. The simulated injector is characterized with a nominal nozzle exit diameter of 259 μm. Simulations using various minimum grid sizes (ranging from 125 μm to 1000 μm) are compared for engine performance and emissions parameters of interest such as pressure, heat release rate, ignition delay, NOx, HC, and soot emissions. The peak cell-count for the highest resolution simulation was on the order of 34 million. These computationally expensive simulations were facilitated at a high-performance computing facility at Argonne National Laboratory. METIS load-balancing algorithm was developed and implemented in Converge code for the simulations. Scaling studies were also performed. The validity of previously recommended grid settings (ASME-ICEF2012-92043) for accuracy/runtime trade-off is further assessed. Efficacy of a simplified combustion model is also compared against a detailed chemical kinetics based combustion model.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1987

An engineering study of hybrid adaptation of wind tunnel walls for three-dimensional testing

Solid wall tunnels having only upper and lower walls flexing are described. An algorithm for selecting the wall contours for both 2 and 3 dimensional wall flexure is presented and numerical experiments are used to validate its applicability to the general test case of 3 dimensional lifting aircraft models in rectangular cross section wind tunnels. The method requires an initial approximate representation of the model flow field at a given lift with wallls absent. The numerical methods utilized are derived by use of Green's source solutions obtained using the method of images; first order linearized flow theory is employed with Prandtl-Glauert compressibility transformations. Equations are derived for the flexed shape of a simple constant thickness plate wall under the influence of a finite number of jacks in an axial row along the plate centerline. The Green's source methods are developed to provide estimations of residual flow distortion (interferences) with measured wall pressures and wall flow inclinations as inputs.

Brown, Clinton↗

NASA NTRS2005

Airdata Measurement and Calibration

This Section provides a brief introduction to airdata measurement and calibration. Readers will learn about typical test objectives, quantities to measure, and flight maneuvers and operations for calibration. The Section informs readers about tower-flyby, trailing cone, pacer, radar-tracking, and dynamic airdata calibration maneuvers. Readers will also begin to understand how some data analysis considerations and special airdata cases, including high-angle-of-attack flight, high-speed flight, and nonobtrusive sensors are handled. This section is not intended to be all inclusive; readers should review AGARDograph 300, Volume 1, "Calibration of Airdata Systems and Flow Direction Sensors" for more detailed information. [11-1] References 11-2, 11-3, and 11-4 also supply pertinent information to better understand airdata measurement and calibration and related terminology. Airdata are vital to successfully complete an aircraft's mission and are derived from the air surrounding the aircraft. These airdata encompass indicated and true airspeed, pressure altitude, ambient air temperature, angles of attack and sideslip, Mach number, and rate of climb. Typically, pitot and static pressures are sensed and converted (by mechanical means in the instruments themselves) into indications on the altimeter, vertical speed indicator, airspeed indicator, and Machmeter. Similarly, measured local flow angles establish angles of attack and sideslip, and the outside air temperature is measured and indicated in the cockpit. (Instruments that can perform the conversion, such as airspeed indicators, altimeters, and Machmeters, do not correct for errors in the input values.) These measured parameters are commonly input to the airdata computer which, using appropriate algorithms and correction factors (or calibrations, as discussed later), can provide other parameters, such as true airspeed, required by the aircraft's avionics or flight control system. The presence of the aircraft in the airstream causes input errors to the measuring instruments - the aircraft disturbs the air that it flies through, thereby also disturbing the airdata measurements. Figure 11-1 shows the airflow around an airplane wing. The air above the wing has lower pressure than the ambient air, while the pressure below the wing is higher than the ambient air. Compressibility and shock waves also disturb the air and affect the measurements. Compressibility effects become important above approximately Mach number 0.3. As a result the static pressure around an airplane varies considerably with location. Local flow angles also differ from the free-stream flow direction. In straight-and-level flight the airflow rises to the wing leading edge and falls below the trailing edge, causing errors in flow direction measurements. To some extent these errors can be studied in wind tunnels, but wind-tunnel measurements cannot replace in-flight measurements.

Haering, Edward A., Jr.↗

NASA NTRS2014

High-Fidelity Buckling Analysis of Composite Cylinders Using the STAGS Finite Element Code

Results from previous shell buckling studies are presented that illustrate some of the unique and powerful capabilities in the STAGS finite element analysis code that have made it an indispensable tool in structures research at NASA over the past few decades. In particular, prototypical results from the development and validation of high-fidelity buckling simulations are presented for several unstiffened thin-walled compression-loaded graphite-epoxy cylindrical shells along with a discussion on the specific methods and user-defined subroutines in STAGS that are used to carry out the high-fidelity simulations. These simulations accurately account for the effects of geometric shell-wall imperfections, shell-wall thickness variations, local shell-wall ply-gaps associated with the fabrication process, shell-end geometric imperfections, nonuniform applied end loads, and elastic boundary conditions. The analysis procedure uses a combination of nonlinear quasi-static and transient dynamic solution algorithms to predict the prebuckling and unstable collapse response characteristics of the cylinders. Finally, the use of high-fidelity models in the development of analysis-based shell-buckling knockdown (design) factors is demonstrated.

Hilburger, Mark W.↗

DOE OSTI2022

Fast increased fidelity samplers for approximate Bayesian Gaussian process regression

Gaussian processes (GPs) are common components in Bayesian non-parametric models having a rich methodological literature and strong theoretical grounding. The use of exact GPs in Bayesian models is limited to problems containing several thousand observations due to their prohibitive computational demands. We develop a posterior sampling algorithm using H-matrix approximations that scales at O(n log 2 n). We show that this approximation’s Kullback-Leibler divergence to the true posterior can be made arbitrarily small. Though multidimensional GPs could be used with our algorithm, d-dimensional surfaces are modeled as tensor products of univariate GPs to minimize the cost of matrix construction and maximize computational efficiency. We illustrate the performance of this fast increased fidelity approximate GP, FIFA-GP, using both simulated and non-synthetic data sets

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Impact of cyber attacks on distributed compressive sensing based state estimation in power distribution grids

Modern power distribution grids suffer from multiple vulnerabilities due to the tight integration between the physical system and the cyber infrastructure. Sophisticated and malicious cyber attacks continue to adversely impact the grid operation leading to performance degradation, service interruption, and grid failure. State estimation plays an essential role in grid monitoring and advancing cyber-attack situational awareness. In this regard, this paper first proposes a distributed compressive sensing (CS) state estimation approach for an unobservable distribution grid. Further, the proposed distributed CS approach divides the distribution grid into sub-areas to perform local state estimation. Then an alternating direction method of multipliers (ADMM) based iterative information exchange among neighboring areas is employed to complete the estimation process. In this estimation process, the impact of loss of measurement data, false data injection (FDI), replay, and neighborhood cyber-attacks is analyzed. Extensive simulations are performed on the IEEE 37-bus and IEEE 123-bus standard networks to demonstrate the algorithm’s robustness to the aforementioned cyber-attacks. A quantitative analysis of computational complexity and simulation time of the distributed CS based approach is also presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2011

Robotic Scaffolds for Tissue Engineering and Organ Growth

The aim of tissue engineering (TE) is to restore tissue and organ functions with minimal host rejection. TE is seen as a future solution to solve the crisis of donor organs for transplant, which faces a shortage expected only to increase in the future. In this innovation, a flexible and configurable scaffold has been conceived that mechanically stresses cells that are seeded on it, stimulating them to increased growth. The influence of mechanical stress/ loading on cell growth has been observed on all forms of cells. For example, for cartilages, studies in animals, tissue explants, and engineered tissue scaffolds have all shown that cartilage cells (chondrocytes) modify their extracellular matrix in response to loading. The chondrocyte EMC production response to dynamics of the physical environment (in vivo cartilage development) illustrates a clear benefit (better growth) when stressed. It has been shown that static and dynamic compression regulates PRG4 biosynthesis by cartilage explants. Mechanical tissue stimulation is beneficial and (flexible) scaffolds with movable components, which are able to induce mechanical stimulation, offer advantages over the fixed, rigid scaffold design. In addition to improved cell growth from physical/mechanical stimulation, additional benefits include the ability to increase in size while preserving shape, or changing shape. By making scaffolds flexible, allowing relative movement between their components, adding sensing (e.g., for detecting response of cells to drug release and to mechanical actions), building controls for drug release and movement, and building even simple algorithms for mapping sensing to action, these structures can actually be made into biocompatible and biodegradable robots. Treating them as robots is a perspective shift that may offer advantages in the design and exploitation of these structures of the future.

Stoica, Adrian↗

NASA NTRS2010

The Kepler Science Operations Center Pipeline Framework Extensions

The Kepler Science Operations Center (SOC) is responsible for several aspects of the Kepler Mission, including managing targets, generating on-board data compression tables, monitoring photometer health and status, processing the science data, and exporting the pipeline products to the mission archive. We describe how the generic pipeline framework software developed for Kepler is extended to achieve these goals, including pipeline configurations for processing science data and other support roles, and custom unit of work generators that control how the Kepler data are partitioned and distributed across the computing cluster. We describe the interface between the Java software that manages the retrieval and storage of the data for a given unit of work and the MATLAB algorithms that process these data. The data for each unit of work are packaged into a single file that contains everything needed by the science algorithms, allowing these files to be used to debug and evolve the algorithms offline.

Klaus, Todd C.↗