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At least 1,351 records · Page 75

Population of 224 realistic human subject-based computational breast phantoms

Purpose: To create a database of highly realistic and anatomically variable 3D virtual breast phantoms based on dedicated breast computed tomography (bCT) data. Methods: A tissue classification and segmentation algorithm was used to create realistic and detailed 3D computational breast phantoms based on 230 + dedicated bCT datasets from normal human subjects. The breast volume was identified using a coarse three-class fuzzy C-means segmentation algorithm which accounted for and removed motion blur at the breast periphery. Noise in the bCT data was reduced through application of a postreconstruction 3D bilateral filter. A 3D adipose nonuniformity (bias field) correction was then applied followed by glandular segmentation using a 3D bias-corrected fuzzy C-means algorithm. Multiple tissue classes were defined including skin, adipose, and several fractional glandular densities. Following segmentation, a skin mask was produced which preserved the interdigitated skin, adipose, and glandular boundaries of the skin interior. Finally, surface modeling was used to produce digital phantoms with methods complementary to the XCAT suite of digital human phantoms. Results: After rejecting some datasets due to artifacts, 224 virtual breast phantoms were created which emulate the complex breast parenchyma of actual human subjects. The volume breast density (with skin) ranged from 5.5% to 66.3% with a mean value of 25.3% ± 13.2%. Breast volumes ranged from 25.0 to 2099.6 ml with a mean value of 716.3 ± 386.5 ml. Three breast phantoms were selected for imaging with digital compression (using finite element modeling) and simple ray-tracing, and the results show promise in their potential to produce realistic simulated mammograms. Conclusions: This work provides a new population of 224 breast phantoms based on in vivo bCT data for imaging research. Compared to previous studies based on only a few prototype cases, this dataset provides a rich source of new cases spanning a wide range of breast types, volumes, densities, and parenchymal patterns.

61 RADIATION PROTECTION AND DOSIMETRY↗

A Finite-Element Approach for Modeling Inviscid and Viscous Compressible Flows using Prismatic Grids

The Galerkin finite-element method is used to solve the Euler and Navier-Stokes equations on prismatic meshes. It is shown that the prismatic grid is advantageous for correctly and efficiently capturing the boundary layers in high Reynolds number flows. It can be captured accurately because of the ability to cluster grid points normal to the body. The efficiency derives from the implicit treatment of the normal direction. To treat the normal direction implicitly, a semi-implicit Runge-Kutta time stepping scheme is developed. The semi-implicit algorithm is validated on simple geometries for inviscid and viscous flows and its convergence history is compared to that of the explicit Runge-Kutta scheme. The semi-implicit scheme is shown to be a factor of 3 to 4 faster in terms of CPU time to convergence.

Pandya, S. A.↗

ECP Milestone Memo WBS 2.3.4.13 ECP/VTK-m FY19Q1 [MS-19/01-03] ZFP / Release / Clip STDA05-17

The STDA05-17 milestone comprises the following 3 deliverables. VTK-m Release 2 We will provide a release of VTK-m software and associated documentation. The source code repository will be tagged at a stable state, and, at a minimum, tarball captures of the source code will be made available from the web site. A version of the VTK-m User's Guide documenting this release will also be made available. Productionize zfp compression The "ZFP: Compressed Floating-Point Arrays" project (WBS 1.3.4.13) is creating an implementation of ZFP compression in VTK-m. Their implementation will be focused on operating in CUDA. The VTK-m project will assist by generalizing the implementation to other devices (such as multi-core CPUs). We will also assist in productionizing the code such that it can be used by external projects and products. Clip Clip operations intersect meshes with implicit functions. It is the foundation of spatial subsetting algorithms, such as "box," and the foundation of data-based subsetting, such as "isovolume." The algorithm requires considering thousands of possible cases, and is thus quite difficult to implement. This milestone will implement clipping to be sufficient for Visit's and ParaView's needs.

97 MATHEMATICS AND COMPUTING↗

Application of the implicit MacCormack scheme to the PNS equations

The two-dimensional parabolized Navier-Stokes equations are solved using MacCormack's (1981) implicit finite-difference scheme. It is shown that this method for solving the parabolized Navier-Stokes equations does not require the inversion of block tridiagonal systems of algebraic equations and allows the original explicit scheme to be employed in those regions where implicit treatment is not needed. The finite-difference algorithm is discussed and the computational results for two laminar test cases are presented. Results obtained using this method for the case of a flat plate boundary layer are compared with those obtained using the conventional Beam-Warming scheme, as well as those obtained from a boundary layer code. The computed results for a more severe test of the method, the hypersonic flow past a 15 deg compression corner, are found to compare favorably with experiment and a numerical solution of the complete Navier-Stokes equations.

Lawrence, S. L.↗

Computation of selected eigenvalues of generalized eigenvalue problems

The Arnoldi (1951) and Lanczos (1950) iterative algorithms are used to obtain a few selected eigenvalues of the generalized eigenvalue problem A(x) = lambdaB(x), where A and B are n x n nonsymmetric banded complex matrices. A shift-and-invert strategy is used to increase the rate of convergence toward the desired eigenvalues, and the two approaches are evaluated in view of their performance in a model problem concerning the linear stability of compressible boundary layers. A general scheme for computing the eigenvalues that lie within a 'box' in the complex plane is presented.

Nayar, Narinder↗

A Systematic Study on the Dynamic Softening Behavior of a Heat-Resistant Alloy Considering Thermal and Microstructural Effects

Deep understanding of the relationships among flow softening behaviors, microstructure evolution and process parameters is an essential issue due to the varied strain rate and temperature in industrial hot working schedules. In this research, substantial hot compression tests of a SNCrW heat-resistant alloy were conducted to quantitatively investigate the extrinsic dynamic flow softening behaviors and intrinsic grain size evolution. The thermal softening ratio (TSR) and microstructural softening ratio (MSR) were introduced to, respectively, characterize the degree of deformation heating-induced thermal softening and dynamic recrystallization-induced microstructural softening, respectively. To obtain more accurate results, the TSR was calculated with an improved algorithm that considered strain effects. Additionally, a 3D TSR map and MSR map of the SNCrW heat-resistant alloy were constructed to study the response relationships between thermal softening or microstructural softening and the deformation parameters. In addition, a superimposed contour map of the average grain size on the MSR map was developed to reveal the relationships between microstructural evolution and the macromechanical response. The results show that the grain size of the SNCrW heat-resistant alloy exhibits an inverse correlation with the MSR and is slightly correlated with thermal softening.

36 MATERIALS SCIENCE↗

Optimization of contoured hypersonic scramjet inlets with a least-squares parabolized Navier-Stokes procedure

A new optimization procedure, in which a parabolized Navier-Stokes solver is coupled with a non-linear least-squares optimization algorithm, is applied to the design of a Mach 14, laminar two-dimensional hypersonic subscale flight inlet with an internal contraction ratio of 15:1 and a length-to-throat half-height ratio of 150:1. An automated numerical search of multiple geometric wall contours, which are defined by polynomical splines, results in an optimal geometry that yields the maximum total-pressure recovery for the compression process. Optimal inlet geometry is obtained for both inviscid and viscous flows, with the assumption that the gas is either calorically or thermally perfect. The analysis with a calorically perfect gas results in an optimized inviscid inlet design that is defined by two cubic splines and yields a mass-weighted total-pressure recovery of 0.787, which is a 23% improvement compared with the optimized shock-canceled two-ramp inlet design. Similarly, the design procedure obtains the optimized contour for a viscous calorically perfect gas to yield a mass-weighted total-pressure recovery value of 0.749. Additionally, an optimized contour for a viscous thermally perfect gas is obtained to yield a mass-weighted total-pressure recovery value of 0.768. The design methodology incorporates both complex fluid dynamic physics and optimal search techniques without an excessive compromise of computational speed; hence, this methodology is a practical technique that is applicable to optimal inlet design procedures.

Korte, J. J.↗

Onboard Interferometric SAR Processor for the Ka-Band Radar Interferometer (KaRIn)

An interferometric synthetic aperture radar (SAR) onboard processor concept and algorithm has been developed for the Ka-band radar interferometer (KaRIn) instrument on the Surface and Ocean Topography (SWOT) mission. This is a mission- critical subsystem that will perform interferometric SAR processing and multi-look averaging over the oceans to decrease the data rate by three orders of magnitude, and therefore enable the downlink of the radar data to the ground. The onboard processor performs demodulation, range compression, coregistration, and re-sampling, and forms nine azimuth squinted beams. For each of them, an interferogram is generated, including common-band spectral filtering to improve correlation, followed by averaging to the final 1 1-km ground resolution pixel. The onboard processor has been prototyped on a custom FPGA-based cPCI board, which will be part of the radar s digital subsystem. The level of complexity of this technology, dictated by the implementation of interferometric SAR processing at high resolution, the extremely tight level of accuracy required, and its implementation on FPGAs are unprecedented at the time of this reporting for an onboard processor for flight applications.

Esteban-Fernandez, Daniel↗

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

Here we report that proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 1-4 nonbonded interactions. In this study, we systematically test the use of the C36 lipid FF in NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM. A wide range of Lennard-Jones (LJ) cutoff schemes and integrator algorithms were tested to find the optimal simulation protocol to best match bilayer properties of six lipids with varying acyl chain saturation and head groups. MD simulations of a 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) bilayer were used to obtain the optimal protocol for each program. MD simulations with all programs were found to reasonably match the DPPC bilayer properties (surface area per lipid, chain order parameters, and area compressibility modulus) obtained using the standard protocol used in CHARMM as well as from experiments. The optimal simulation protocol was then applied to the other five lipid simulations and resulted in excellent agreement between results from most simulation programs as well as with experimental data. AMBER compared least favorably with the expected membrane properties, which appears to be due to its use of the hard-truncation in the LJ potential versus a force-based switching function used to smooth the LJ potential as it approaches the cutoff distance. The optimal simulation protocol for each program has been implemented in CHARMM-GUI. This protocol is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.

97 MATHEMATICS AND COMPUTING↗

Chemical Pressure-Driven Enhancement of the Hydrogen Evolving Activity of Ni 2 P from Nonmetal Surface Doping Interpreted via Machine Learning

The activity of Ni 2 P catalysts for the hydrogen evolution reaction (HER) is currently limited by strong H adsorption at the Ni 3 -hollow site. We investigate the effect of surface nonmetal doping on the HER activity of the Ni 3 P 2 termination of Ni 2 P(0001), which is stable at modest electrochemical conditions. Using density functional theory (DFT) calculations, we find that both 2p nonmetals and heavier chalcogens provide nearly thermoneutral H adsorption at moderate surface doping concentrations. We also find, however, that only chalcogen substitution for surface P is exergonic. For intermediate surface concentrations of S, the free energy of H adsorption at the Ni 3 -hollow site is -0.11 eV, which is significantly more thermoneutral than the undoped surface (-0.45 eV). We use the regularized random forest machine learning algorithm to discover the relative importance of structure and charge descriptors, extracted from the DFT calculations, in determining the HER activity of Ni 2 P(0001) under different doping concentrations. Here, we discover that the Ni–Ni bond length is the most important descriptor of HER activity, which suggests that the nonmetal dopants induce a chemical pressure-like effect on the Ni 3 -hollow site, changing its reactivity through compression and expansion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temporal feedback control of high-intensity laser pulses to optimize ultrafast heating of atomic clusters

We describe how active feedback routines can be applied at a limited repetition rate (5 Hz) to optimize high-power (>10 TW) laser interactions with clustered gases. Optimization of x-ray production from an argon cluster jet, using a genetic algorithm, approximately doubled the measured energy through temporal modification of the 150 mJ driving laser pulse. This method achieved an increased radiation yield through exploration of a multi-dimensional parameter space, without requiring detailed a priori knowledge of the complex cluster dynamics. The optimized laser pulses exhibited a slow rising edge to the intensity profile, which enhanced the laser energy coupling into the cluster medium, compared to the optimally compressed FWHM pulse (40 fs). This report suggests that this technique can be more widely utilized for control of intense pulsed secondary radiation from petawatt-class laser systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

Computation of viscous hypersonic flow over control surfaces

A parabolized Navier-Stokes (PNS) computer code has been used to compute hypersonic flow over control surfaces located on the aft end of generic re-entry configurations. The Beam-Warming implicit numerical algorithm as modified by Schiff and Steger is used to march in the spatial direction. The outer bow shock is treated as a sharp discontinuity; within the shock layer discontinuities are captured. Several different turbulent flow solutions were generated for flap angles varying from -7 deg to 15 deg and angles of attack varying from 0 deg to 20 deg. The present results are qualitatively correct when compared with previous compression corner studies.

Chaussee, D. S.↗

A cost-effective strategy for nonoscillatory convection without clipping

Clipping of narrow extrema and distortion of smooth profiles is a well known problem associated with so-called high resolution nonoscillatory convection schemes. A strategy is presented for accurately simulating highly convective flows containing discontinuities such as density fronts or shock waves, without distorting smooth profiles or clipping narrow local extrema. The convection algorithm is based on non-artificially diffusive third-order upwinding in smooth regions, with automatic adaptive stencil expansion to (in principle, arbitrarily) higher order upwinding locally, in regions of rapidly changing gradients. This is highly cost effective because the wider stencil is used only where needed-in isolated narrow regions. A recently developed universal limiter assures sharp monotonic resolution of discontinuities without introducing artificial diffusion or numerical compression. An adaptive discriminator is constructed to distinguish between spurious overshoots and physical peaks; this automatically relaxes the limiter near local turning points, thereby avoiding loss of resolution in narrow extrema. Examples are given for one-dimensional pure convection of scalar profiles at constant velocity.

Leonard, B. P.↗

Sharp monotonic resolution of discontinuities without clipping of narrow extrema

A strategy is presented for accurately simulating highly convective flows containing discontinuities such as density fronts or shock waves, without distorting smooth profiles or clipping narrow local extrema. The convection algorithm is based on non-artificially-diffusive third-order upwinding in smooth regions, with automatic adaptive stencil expansion to (in principle, arbitrarily) higher order upwinding locally, in regions of rapidly changing gradients. This is highly cost-effective because the wider stencil is used only where needed - in isolated narrow regions. A recently developed universal limiter assures sharp monotonic resolution of discontinuities without introducing artificial diffusion or numerical compression. An adaptive discriminator is constructed to distinguish between spurious overshoots and physical peaks; this automatically relaxes the limiter near local turning points, thereby avoiding loss of resolution in narrow extrema. Examples are given for one-dimensional pure convection of scalar profiles at constant velocity.

Leonard, B. P.↗

Performance Optimization of Plate Airfoils for Martian Rotor Applications Using a Genetic Algorithm

The Mars Helicopter Technology Demonstrator will be flying on the NASA Mars 2020 rover mission scheduled to launch in July of 2020. The goal is to demonstrate the viability and potential of heavier-than-air vehicles in the Martian atmosphere. Research is performed at the Jet Propulsion Laboratory and NASA Ames Research Center to extend these capabilities and develop the Mars Science Helicopter as the next possible step for Martian rotorcraft. The Mars Science Helicopter mass is scaled up to the 5 to 20 kg range, allowing a greater payload (approximately 0.5 to 2.0 kg), and greater range (approximately 3 km). Key to achieving these targets is careful aerodynamic rotor design. The Martian atmosphere’s low density and the small helicopter rotors result in very low chord-based Reynolds number flows, which reduces rotor performance. A continuous genetic algorithm is developed to optimize airfoil shapes at representative conditions for the Martian atmosphere. Previous research indicates that sharp leading edges and plate-like airfoils can out-perform conventional airfoil shapes. The present optimization allows for camber and thickness variation of curved and polygonal thin airfoils with sharp leading edges. The airfoil performance is evaluated at the highest attainable liftto- drag ratio near a moderate lift coefficient at compressible Mach numbers, as expected for Martian rotor application. Increases between 16% and 29% in airfoil lift-to-drag ratio at fixed lift coefficients are observed when compared with the Mars Helicopter Technology Demonstrator airfoils. Improvements in hover figure of merit are estimated to be between 4% and 10%, when applied to the Mars Helicopter Technology Demonstrator.

Koning, Witold J. F.↗

A Conservative Finite-Volume Based Interface-Tracking Algorithm Using the Signed Distance Function

Methods for tracking an interface between two fluid phases are developed to ensure desired fluid properties, conservation, and stability are preserved in a finitevolume (FV) discretization. Here, the interface is tracked using a level set method where the signed distance function implicitly defines the interface. Marching methods are used to evaluate the value of the signed distance function, including a novel initialization method to initialize any implicit function to the signed distance function around sharp corners in the level set. Global conservation and consistency with a set of governing equations is enforced by a compression coefficient that measures the volumetric compression or expansion due to inaccuracies in the level set evaluation. A redistribution method is integrated into the volume correction to eliminate the small-cell instability while maintaining global conservation. This suite of methods is implemented and tested using static uniform velocity, and potential flow cases with multiple interface geometries. Results show these methods achieve up to second order accuracy, and are conservative. The application for these methods is intended to track the interface of a 3D printing filament in a finite-volume discretization of the all-speed Navier-Stokes equations.

42 ENGINEERING↗

Geomechanical and Fluid Transport Properties

Complex changes to fluid and mechanical properties of a pyrolyzing formation could lead to significant subsidence. Capturing subsidence requires accounting for changes in porosity due to generation and drainage of fluid. Pores, permeability and pore pressure are generated during pyrolysis of kerogen into oil and gas. In a series reaction scheme, oil is an intermediate product of pyrolysis. A large portion of oil-range fluids may be lost in an in-situ operation if the oil produced cannot be drained quickly enough. Petroleum fluid quality and production are highly dependent on the relative rates of creation, destruction, and transport of oil and gas in a given volume. All of these are dependent on the heating rate of oil shale. If oil shale is heated quickly, fluid flow may increase, but at a cost to the amount of oil that is finally extracted. To account for the effect of pore fluid on mechanical deformation, an elastic model was combined with a Mohr-Coulomb failure criterion and Biot’s linear consolidation model. The overall model is poroelastic, because it accounts for rock deforming by considering the response of the bulk system and the pore fluids it contains. Biot’s linear model includes all ways that pore fluid volume can change in a system, including stress-strain interactions between pores and the bulk material. Additionally, the model captures the distinction between fluid and solid matrix compression and describes how bulk deformation is affected by fluid drainage. The fluid response to changing stress is affected by changes in pore pressure, while the bulk material responds to effective stress changes. To capture all of these effects, a number of theoretical and empirical models were employed in FLAC3D™, a rock-mechanics software package produced by Itasca Consulting Group. The basic capabilities of FLAC3D™ have been supplemented by customized algorithms for the simulation package. The most important contribution has been to develop a methodology for describing poro-thermo-mechanical properties of oil shale across the complete chronology of in situ pyrolysis. This report highlights those methods and results for inferring realistic oil shale properties.

04 OIL SHALES AND TAR SANDS↗

Advanced Cardiac Life Support (ACLS) utilizing Man-Tended Capability (MTC) hardware onboard Space Station Freedom

Because of the time and distance involved in returning a patient from space to a definitive medical care facility, the capability for Advanced Cardiac Life Support (ACLS) exists onboard Space Station Freedom. Methods: In order to evaluate the effectiveness of terrestrial ACLS protocols in microgravity, a medical team conducted simulations during parabolic flights onboard the KC-135 aircraft. The hardware planned for use during the MTC phase of the space station was utilized to increase the fidelity of the scenario and to evaluate the prototype equipment. Based on initial KC-135 testing of CPR and ACLS, changes were made to the ventricular fibrillation algorithm in order to accommodate the space environment. Other constraints to delivery of ACLS onboard the space station include crew size, minimum training, crew deconditioning, and limited supplies and equipment. Results: The delivery of ACLS in microgravity is hindered by the environment, but should be adequate. Factors specific to microgravity were identified for inclusion in the protocol including immediate restraint of the patient and early intubation to insure airway. External cardiac compressions of adequate force and frequency were administered using various methods. The more significant limiting factors appear to be crew training, crew size, and limited supplies. Conclusions: Although ACLS is possible in the microgravity environment, future evaluations are necessary to further refine the protocols. Proper patient and medical officer restraint is crucial prior to advanced procedures. Also emphasis should be placed on early intubation for airway management and drug administration. Preliminary results and further testing will be utilized in the design of medical hardware, determination of crew training, and medical operations for space station and beyond.

Smith, M.↗