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All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Dynamical invariants in systems with and without broken time-reversal symmetry

In the first part of the lectures dynamical invariants in classical mechanics and conventional quantum mechanics will be considered. In particular, we will begin with some remarks on classical mechanics and on quantization in order to establish the theory in the form that will be used later on. Starting from the time-dependent Schroedinger equation, the dynamics of Gaussian wave packets and Ermakov invariants, the time-dependent Green function/Feynman kernel, quantum-classical connections, energetics and Lagrange-Hamilton formalism for quantum uncertainties, momentum space representation and the relation between the Wigner function and the Ermakov invariant will be discussed. The representation of canonical transformations in time-independent and time-dependent quantum mechanics, factorization of the Ermakov invariant and generalized creation/annihilation operators will be studied. Subsequently, the time-independent Schroedinger equation, leading to nonlinear quantum mechanics related to Riccati/Ermakov systems as well as the occurrence of Riccati/Ermakov systems in the treatment of Bose-Einstein condensates via the so-called moment method will be analyzed.In part two, irreversible dynamics of dissipative systems, classical and quantum mechanical descriptions and corresponding invariants will be treated. After some general remarks on classical and quantum mechanics with unitary time-evolution and energy conservation, phenomenological Langevin and Fokker--Planck equations, master equations in classical and quantum mechanics and the system-plus-reservoir approach will be mentioned briefly. Then follows a more detailed discussion of modified Schroedinger equations and, particularly, of a nonlinear Schroedinger equation with complex logarithmic nonlinearity; its properties, solutions, invariants and energetics will be studied. Finally, a comparison with a classical description in expanding coordinates will lead to a non-unitary connection between the logarithmic nonlinear Schroedinger equation, the Caldirola-Kanai approach and the expanding coordinate approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

MEASURING THE MASS DISTRIBUTION IN GALAXY CLUSTERS

Cluster mass profiles are tests of models of structure formation. Only two current observational methods of determining the mass profile, gravitational lensing, and the caustic technique are independent of the assumption of dynamical equilibrium. Both techniques enable the determination of the extended mass profile at radii beyond the virial radius. For 19 clusters, we compare the mass profile based on the caustic technique with weak lensing measurements taken from the literature. This comparison offers a test of systematic issues in both techniques. Around the virial radius, the two methods of mass estimation agree to within {approx}30%, consistent with the expected errors in the individual techniques. At small radii, the caustic technique overestimates the mass as expected from numerical simulations. The ratio between the lensing profile and the caustic mass profile at these radii suggests that the weak lensing profiles are a good representation of the true mass profile. At radii larger than the virial radius, the extrapolated Navarro, Frenk and White fit to the lensing mass profile exceeds the caustic mass profile. Contamination of the lensing profile by unrelated structures within the lensing kernel may be an issue in some cases; we highlight the clusters MS0906+11 and A750, superposed along the line of sight, to illustrate the potential seriousness of contamination of the weak lensing signal by these unrelated structures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Impact of SPECT corrections on 3D-dosimetry for liver transarterial radioembolization using the patient relative calibration methodology

Purpose: Many centers aim to plan liver transarterial radioembolization (TARE) with dosimetry, even without CT-based attenuation correction (AC), or with unoptimized scatter correction (SC) methods. This work investigates the impact of presence vs absence of such corrections, and limited spatial resolution, on 3D dosimetry for TARE. Methods: Three voxelized phantoms were derived from CT images of real patients with different body sizes. Simulations of {sup 99m}Tc-SPECT projections were performed with the SIMIND code, assuming three activity distributions in the liver: uniform, inside a “liver’s segment,” or distributing multiple uptaking nodules (“nonuniform liver”), with a tumoral liver/healthy parenchyma ratio of 5:1. Projection data were reconstructed by a commercial workstation, with OSEM protocol not specifically optimized for dosimetry (spatial resolution of 12.6 mm), with/without SC (optimized, or with parameters predefined by the manufacturer; dual energy window), and with/without AC. Activity in voxels was calculated by a relative calibration, assuming identical microspheres and {sup 99m}Tc-SPECT counts spatial distribution. 3D dose distributions were calculated by convolution with {sup 90}Y voxel S-values, assuming permanent trapping of microspheres. Cumulative dose-volume histograms in lesions and healthy parenchyma from different reconstructions were compared with those obtained from the reference biodistribution (the “gold standard,” GS), assessing differences for D95%, D70%, and D50% (i.e., minimum value of the absorbed dose to a percentage of the irradiated volume). γ tool analysis with tolerance of 3%/13 mm was used to evaluate the agreement between GS and simulated cases. The influence of deep-breathing was studied, blurring the reference biodistributions with a 3D anisotropic gaussian kernel, and performing the simulations once again. Results: Differences of the dosimetric indicators were noticeable in some cases, always negative for lesions and distributed around zero for parenchyma. Application of AC and SC reduced systematically the differences for lesions by 5%–14% for a liver segment, and by 7%–12% for a nonuniform liver. For parenchyma, the data trend was less clear, but the overall range of variability passed from −10%/40% for a liver segment, and −10%/20% for a nonuniform liver, to −13%/6% in both cases. Applying AC, SC with preset parameters gave similar results to optimized SC, as confirmed by γ tool analysis. Moreover, γ analysis confirmed that solely AC and SC are not sufficient to obtain accurate 3D dose distribution. With breathing, the accuracy worsened severely for all dosimetric indicators, above all for lesions: with AC and optimized SC, −38%/−13% in liver’s segment, −61%/−40% in the nonuniform liver. For parenchyma, D50% resulted always less sensitive to breathing and sub-optimal correction methods (difference overall range: −7%/13%). Conclusions: Reconstruction protocol optimization, AC, SC, PVE and respiratory motion corrections should be implemented to obtain the best possible dosimetric accuracy. On the other side, thanks to the relative calibration, D50% inaccuracy for the healthy parenchyma from absence of AC was less than expected, while the optimization of SC was scarcely influent. The relative calibration therefore allows to perform TARE planning, basing on D50% for the healthy parenchyma, even without AC or with suboptimal corrections, rather than rely on nondosimetric methods.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-I-21: Dosimetric Characterization and Image Quality Evaluation of the AIRO Mobile CT Scanner

Purpose: The AIRO Mobile CT system was recently introduced which overcomes the limitations from existing CT, CT fluoroscopy, and intraoperative O-arm. With an integrated table and a large diameter bore, the system is suitable for cranial, spine and trauma procedures, making it a highly versatile intraoperative imaging system. This study is to investigate radiation dose and image quality of the AIRO and compared with those from a routine CT scanner. Methods: Radiation dose was measured using a conventional 100mm pencil ionization chamber and CT polymethylmetacrylate (PMMA) body and head phantoms. Image quality was evaluated with a CATPHAN 500 phantom. Spatial resolution, low contrast resolution (CNR), Modulation Transfer Function (MTF), and Normalized Noise Power Spectrum (NNPS) were analyzed. Results: Under identical technique conditions, radiation dose (mGy/mAs) from the AIRO mobile CT system (AIRO) is higher than that from a 64 slice CT scanner. MTFs show that both Soft and Standard filters of the AIRO system lost resolution quickly compared to the Sensation 64 slice CT. With the Standard kernel, the spatial resolutions of the AIRO system are 3lp/cm and 4lp/cm for the body and head FOVs, respectively. NNPSs show low frequency noise due to ring-like artifacts. Due to a higher dose in terms of mGy/mAs at both head and body FOV, CNR of the AIRO system is higher than that of the Siemens scanner. However detectability of the low contrast objects is poorer in the AIRO due to the presence of ring artifacts in the location of the targets. Conclusion: For image guided surgery applications, the AIRO has some advantages over a routine CT scanner due to its versatility, large bore size, and acceptable image quality. Our evaluation of the physical performance helps its future improvements.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1998

Robust Multigrid Smoothers for Three Dimensional Elliptic Equations with Strong Anisotropies

We discuss the behavior of several plane relaxation methods as multigrid smoothers for the solution of a discrete anisotropic elliptic model problem on cell-centered grids. The methods compared are plane Jacobi with damping, plane Jacobi with partial damping, plane Gauss-Seidel, plane zebra Gauss-Seidel, and line Gauss-Seidel. Based on numerical experiments and local mode analysis, we compare the smoothing factor of the different methods in the presence of strong anisotropies. A four-color Gauss-Seidel method is found to have the best numerical and architectural properties of the methods considered in the present work. Although alternating direction plane relaxation schemes are simpler and more robust than other approaches, they are not currently used in industrial and production codes because they require the solution of a two-dimensional problem for each plane in each direction. We verify the theoretical predictions of Thole and Trottenberg that an exact solution of each plane is not necessary and that a single two-dimensional multigrid cycle gives the same result as an exact solution, in much less execution time. Parallelization of the two-dimensional multigrid cycles, the kernel of the three-dimensional implicit solver, is also discussed. Alternating-plane smoothers are found to be highly efficient multigrid smoothers for anisotropic elliptic problems.

Llorente, Ignacio M.↗
NASA NTRS2024

Reliable Ignition of LOX-LCH4 Propellants

No cryogenic Reaction Control System (RCS) has ever flown in space. Cryogenic propellants are baselined by HLS and CLPS partners and are the key use case for future ISRU manufactured propellants. A reliable LOX/LCH 4 RCS is an enabling technology for human Lunar and Mars exploration. In previous thermal vacuum (<275 F, <10 torr) testing at NASA GRC Plum Brook, the team uncovered anomalous LOX/LCH4 engine ignition phenomena where flame kernels quenched at these ultra cold hardware temperatures, leading to many pulses where the engines would not light. In 2022, the project was able to recreate the no light condition with an upgraded Frost-Mint test stand at JSC. This project implemented test stand improvements and procured propellants and follow on engine components for a hot fire campaign beginning in November 2024 which will attempt to ignite the RCS engine at ultra cold vacuum conditions by modifying the engine mixture ratio. New modeling techniques were implemented to account for past no lights and are an enabling method to make lunar surface go no go predictions based on hardware conditions. This was enabled by significant improvements to the Frost Mint system, which reduced moisture build up and leaks, increased propellant availability, leading to more attempts at thermal vacuum hot-fires.

Propulsion↗
DOE OSTI2016

Co-benefits of global and regional greenhouse gas mitigation for US air quality in 2050

Policies to mitigate greenhouse gas (GHG) emissions will not only slow climate change but can also have ancillary benefits of improved air quality. Here we examine the co-benefits of both global and regional GHG mitigation for US air quality in 2050 at fine resolution, using dynamical downscaling methods, building on a previous global co-benefits study (West et al., 2013). The co-benefits for US air quality are quantified via two mechanisms: through reductions in co-emitted air pollutants from the same sources and by slowing climate change and its influence on air quality, following West et al. (2013). Additionally, we separate the total co-benefits into contributions from domestic GHG mitigation vs. mitigation in foreign countries. We use the Weather Research and Forecasting (WRF) model to dynamically downscale future global climate to the regional scale and the Sparse Matrix Operator Kernel Emissions (SMOKE) program to directly process global anthropogenic emissions to the regional domain, and we provide dynamical boundary conditions from global simulations to the regional Community Multi-scale Air Quality (CMAQ) model. The total co-benefits of global GHG mitigation from the RCP4.5 scenario compared with its reference are estimated to be higher in the eastern US (ranging from 0.6 to 1.0 µg m -3 ) than the west (0–0.4 µg m -3 ) for fine particulate matter (PM 2.5 ), with an average of 0.47 µg m -3 over the US; for O 3 , the total co-benefits are more uniform at 2–5 ppb, with a US average of 3.55 ppb. Comparing the two mechanisms of co-benefits, we find that reductions in co-emitted air pollutants have a much greater influence on both PM 2.5 (96 % of the total co-benefits) and O 3 (89 % of the total) than the second co-benefits mechanism via slowing climate change, consistent with West et al. (2013). GHG mitigation from foreign countries contributes more to the US O 3 reduction (76 % of the total) than that from domestic GHG mitigation only (24 %), highlighting the importance of global methane reductions and the intercontinental transport of air pollutants. For PM 2.5 , the benefits of domestic GHG control are greater (74 % of total). Since foreign contributions to co-benefits can be substantial, with foreign O 3 benefits much larger than those from domestic reductions, previous studies that focus on local or regional co-benefits may greatly underestimate the total co-benefits of global GHG reductions. We conclude that the US can gain significantly greater domestic air quality co-benefits by engaging with other nations to control GHGs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Efficient scalable algorithms for hierarchically semiseparable matrices

Hierarchically semiseparable (HSS) matrix algorithms are emerging techniques in constructing the superfast direct solvers for both dense and sparse linear systems. Here, we develope a set of novel parallel algorithms for the key HSS operations that are used for solving large linear systems. These include the parallel rank-revealing QR factorization, the HSS constructions with hierarchical compression, the ULV HSS factorization, and the HSS solutions. The HSS tree based parallelism is fully exploited at the coarse level. The BLACS and ScaLAPACK libraries are used to facilitate the parallel dense kernel operations at the ne-grained level. We have appplied our new parallel HSS-embedded multifrontal solver to the anisotropic Helmholtz equations for seismic imaging, and were able to solve a linear system with 6.4 billion unknowns using 4096 processors, in about 20 minutes. The classical multifrontal solver simply failed due to high demand of memory. To our knowledge, this is the first successful demonstration of employing the HSS algorithms in solving the truly large-scale real-world problems. Our parallel strategies can be easily adapted to the parallelization of the other rank structured methods.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

QuadConv: Quadrature-based convolutions with applications to non-uniform PDE data compression

We present a new convolution layer for deep learning architectures which we call QuadConv — an approximation to continuous convolution via quadrature. Our operator is developed explicitly for use on non-uniform, mesh-based data, and accomplishes this by learning a continuous kernel that can be sampled at arbitrary locations. Moreover, the construction of our operator admits an efficient implementation which we detail and construct. As an experimental validation of our operator, we consider the task of compressing partial differential equation (PDE) simulation data from fixed meshes. Here, we show that QuadConv can match the performance of standard discrete convolutions on uniform grid data by comparing a QuadConv autoencoder (QCAE) to a standard convolutional autoencoder (CAE). Further, we show that the QCAE can maintain this accuracy even on non-uniform data. In both cases, QuadConv also outperforms alternative unstructured convolution methods such as graph convolution.

Compression↗
DOE OSTI2023

Learning the right channel in multimodal imaging: automated experiment in piezoresponse force microscopy

We report the development and experimental implementation of the automated experiment workflows for the identification of the best predictive channel for a phenomenon of interest in spectroscopic measurements. The approach is based on the combination of ensembled deep kernel learning for probabilistic predictions and a basic reinforcement learning policy for channel selection. It allows the identification of which of the available observational channels, sampled sequentially, are most predictive of selected behaviors, and hence have the strongest correlations. We implement this approach for multimodal imaging in piezoresponse force microscopy (PFM), with the behaviors of interest manifesting in piezoresponse spectroscopy. We illustrate the best predictive channel for polarization-voltage hysteresis loop and frequency-voltage hysteresis loop areas is amplitude in the model samples. The same workflow and code are applicable for any multimodal imaging and local characterization methods.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Using indium tin oxide material to implement the imaging of microwave plasma ignition process

In this paper, a method is introduced to get global observation of microwave plasma ignition process at high pressure. A microwave resonator was designed with an indium tin oxide coated glass at bottom. Microwave plasma ignition was implemented in methane and air mixture at 10 bars by a 2 ms-3 kW-2.45 GHz microwave pulse, and the high speed images of the ignition process were obtained. The images visually proved that microwave plasma ignition could lead to a multi-point ignition. The system may also be applied to obtain Schlieren images, which is commonly used to observe the development of flame kernel in an ignition process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Training quantum neural networks using the quantum information bottleneck method

Abstract We provide in this paper a concrete method for training a quantum neural network to maximize the relevant information about a property that is transmitted through the network. This is significant because it gives an operationally well founded quantity to optimize when training autoencoders for problems where the inputs and outputs are fully quantum. We provide a rigorous algorithm for computing the value of the quantum information bottleneck quantity within error ε that requires O ( log 2 ⁡ ( 1 / ϵ ) + 1 / δ 2 ) queries to a purification of the input density operator if its spectrum is supported on { 0 } ⋃ [ δ , 1 − δ ] for δ > 0 and the kernels of the relevant density matrices are disjoint. We further provide algorithms for estimating the derivatives of the QIB function, showing that quantum neural networks can be trained efficiently using the QIB quantity given that the number of gradient steps required is polynomial.

Çatlı, Ahmet Burak (ORCID:0000000152294141)↗
DOE OSTI2011

Bethe-Salpeter equation for doubly heavy baryons in the covariant instantaneous approximation

In the heavy quark limit, a doubly heavy baryon is regarded as composed of a heavy diquark and a light quark. We establish the Bethe-Salpeter equations for the heavy diquarks and the doubly heavy baryons, respectively, to leading order in a 1/m{sub Q} expansion. The Bethe-Salpeter equations are solved numerically under the covariant instantaneous approximation with the kernels containing scalar confinement and one-gluon-exchange terms. The masses for the heavy diquarks and the doubly heavy baryons are obtained, and the nonleptonic decay widths for the doubly heavy baryons emitting a pseudoscalar meson are calculated within the model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

WE-FG-207B-09: Experimental Assessment of Noise and Spatial Resolution in Virtual Non-Contrast Dual-Energy CT Images Across Multiple Patient Sizes and CT Systems

Purpose: To investigate the noise and spatial resolution properties of virtual non-contrast (VNC) dual-energy CT images compared to true non-contrast (TNC) images across multiple patient sizes and CT systems. Methods: Torso-shaped water phantoms with lateral widths of 25, 30, 35, 40 and 45 cm and a high resolution bar pattern phantom (Catphan CTP528) were scanned using 2nd and 3rd generation dual-source CT systems (Scanner A: Somatom Definition Flash, Scanner B: Somatom Force, Siemens Healthcare) in dual-energy scan mode with the same radiation dose for a given phantom size. Tube potentials of 80/Sn140 and 100/Sn140 on Scanner A and 80/Sn150, 90/Sn150 and 100/Sn150 on Scanner B were evaluated to examine the impact of spectral separation. Images were reconstructed using a medium sharp quantitative kernel (Qr40), 1.0-mm thickness, 1.0-mm interval and 20 cm field of view. Mixed images served as TNC images. VNC images were created using commercial software (Virtual Unenhanced, Syngo VIA Version VA30, Siemens Healthcare). The noise power spectrum (NPS), area under the NPS, peak frequency of the NPS and image noise were measured for every phantom size and tube potential combination in TNC and VNC images. Results were compared within and between CT systems. Results: Minimal shift in NPS peak frequencies was observed in VNC images compared to TNC for NPS having pronounced peaks. Image noise and area under the NPS were higher in VNC images compared to TNC images across all tube potentials and for scanner A compared to scanner B. Limiting spatial resolution was deemed to be identical between VNC and TNC images. Conclusion: Quantitative assessment of image quality in VNC images demonstrated higher noise but equivalent spatial resolution compared to TNC images. Decreased noise was observed in the 3rd generation dual-source CT system for tube potential pairs having greater spectral separation. Dr. McCollough receives research support from Siemens Healthcare.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Evaluating Multi-core Architectures through Accelerating the Three-Dimensional Lax–Wendroff Correction

Wave propagation forward modeling is a widely used computational method in oil and gas exploration. The iterative stencil loops in such problems have broad applications in scientific computing. However, executing such loops can be highly time time-consuming, which greatly limits application’s performance and power efficiency. In this paper, we accelerate the forward modeling technique on the latest multi-core and many-core architectures such as Intel Sandy Bridge CPUs, NVIDIA Fermi C2070 GPU, NVIDIA Kepler K20x GPU, and the Intel Xeon Phi Co-processor. For the GPU platforms, we propose two parallel strategies to explore the performance optimization opportunities for our stencil kernels. For Sandy Bridge CPUs and MIC, we also employ various optimization techniques in order to achieve the best.

3D Wave Forward Modeling↗
NASA NTRS2001

Reduced-Order Modeling: Cooperative Research and Development at the NASA Langley Research Center

Cooperative research and development activities at the NASA Langley Research Center (LaRC) involving reduced-order modeling (ROM) techniques are presented. Emphasis is given to reduced-order methods and analyses based on Volterra series representations, although some recent results using Proper Orthogonal Deco in position (POD) are discussed as well. Results are reported for a variety of computational and experimental nonlinear systems to provide clear examples of the use of reduced-order models, particularly within the field of computational aeroelasticity. The need for and the relative performance (speed, accuracy, and robustness) of reduced-order modeling strategies is documented. The development of unsteady aerodynamic state-space models directly from computational fluid dynamics analyses is presented in addition to analytical and experimental identifications of Volterra kernels. Finally, future directions for this research activity are summarized.

Silva, Walter A.↗
DOE OSTI2025

Quantum entropy as a harbinger of factorizability

Deeply inelastic scattering (DIS) is a powerful probe for investigating the QCD structure of hadronic matter and testing the standard model (SM). DIS can be described through QCD factorization theorems which separate contributions to the scattering interaction arising from disparate scales — e.g ., with nonperturbative matrix elements associated with long distances and a perturbative hard scattering kernel applying to short-distance parton-level interactions. The fundamental underpinnings of factorization may be recast in the quantum-theoretic terms of entanglement, (de)coherence, and system localization in a fashion which sheds complementary light on the dynamics at work in DIS from QCD bound states. In this Letter, we propose and quantitatively test such a quantum-information theoretic approach for dissecting factorization in DIS and its domain of validity; we employ metrics associated with quantum entanglement such as a differential quantum entropy and associated Kullback-Leibler (KL) divergences in numerical tests. We deploy these methods on an archetypal quark-spectator model of the proton, for which we monitor quantum decoherence in DIS as underlying model parameters are varied. On this basis, we demonstrate quantitatively how factorization-breaking effects may be imprinted on quantum entropies in a kinematic regime where leading-twist factorization increasingly receives large corrections from finite- Q 2 effects; our findings suggest potential applications of quantum simulation to QCD systems and their interactions.

Deep inelastic scattering↗