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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Ultrasonic multi-skip tomography for pipe inspection

The inspection of wall loss corrosion is difficult at pipe supports due to limited accessibility. The recently developed ultrasonic Multi-Skip screening technique is suitable for this problem. The method employs ultrasonic transducers in a pitch-catch geometry positioned on opposite sides of the pipe support. Shear waves are transmitted in the axial direction within the pipe wall, reflecting multiple times between the inner and outer surfaces before reaching the receivers. Along this path, the signals accumulate information on the integral wall thickness (e.g., via variations in travel time). The method is very sensitive in detecting the presence of wall loss, but it is difficult to quantify both the extent and depth of the loss. Multi-skip tomography has been developed to reconstruct the wall thickness profile along the axial direction of the pipe. The method uses model-based full wave field inversion; this consists of a forward model for predicting the measured wave field and an iterative process that compares the predicted and measured wave fields and minimizes the differences with respect to the model parameters (i.e., the wall thickness profile). Experimental results are very encouraging. Various defects (slot and flat bottom hole) are reconstructed using the tomographic inversion. The general shape and width are well recovered. The current sizing accuracy is in the order of 1 mm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Systematic study of target localization for bioluminescence tomography guided radiation therapy

Purpose: To overcome the limitation of CT/cone-beam CT (CBCT) in guiding radiation for soft tissue targets, the authors developed a spectrally resolved bioluminescence tomography (BLT) system for the small animal radiation research platform. The authors systematically assessed the performance of the BLT system in terms of target localization and the ability to resolve two neighboring sources in simulations, tissue-mimicking phantom, and in vivo environments. Methods: Multispectral measurements acquired in a single projection were used for the BLT reconstruction. The incomplete variables truncated conjugate gradient algorithm with an iterative permissible region shrinking strategy was employed as the optimization scheme to reconstruct source distributions. Simulation studies were conducted for single spherical sources with sizes from 0.5 to 3 mm radius at depth of 3–12 mm. The same configuration was also applied for the double source simulation with source separations varying from 3 to 9 mm. Experiments were performed in a standalone BLT/CBCT system. Two self-illuminated sources with 3 and 4.7 mm separations placed inside a tissue-mimicking phantom were chosen as the test cases. Live mice implanted with single-source at 6 and 9 mm depth, two sources at 3 and 5 mm separation at depth of 5 mm, or three sources in the abdomen were also used to illustrate the localization capability of the BLT system for multiple targets in vivo. Results: For simulation study, approximate 1 mm accuracy can be achieved at localizing center of mass (CoM) for single-source and grouped CoM for double source cases. For the case of 1.5 mm radius source, a common tumor size used in preclinical study, their simulation shows that for all the source separations considered, except for the 3 mm separation at 9 and 12 mm depth, the two neighboring sources can be resolved at depths from 3 to 12 mm. Phantom experiments illustrated that 2D bioluminescence imaging failed to distinguish two sources, but BLT can provide 3D source localization with approximately 1 mm accuracy. The in vivo results are encouraging that 1 and 1.7 mm accuracy can be attained for the single-source case at 6 and 9 mm depth, respectively. For the 2 sources in vivo study, both sources can be distinguished at 3 and 5 mm separations, and approximately 1 mm localization accuracy can also be achieved. Conclusions: This study demonstrated that their multispectral BLT/CBCT system could be potentially applied to localize and resolve multiple sources at wide range of source sizes, depths, and separations. The average accuracy of localizing CoM for single-source and grouped CoM for double sources is approximately 1 mm except deep-seated target. The information provided in this study can be instructive to devise treatment margins for BLT-guided irradiation. These results also suggest that the 3D BLT system could guide radiation for the situation with multiple targets, such as metastatic tumor models.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

GPU-based relative fuzzy connectedness image segmentation

Purpose:Recently, clinical radiological research and practice are becoming increasingly quantitative. Further, images continue to increase in size and volume. For quantitative radiology to become practical, it is crucial that image segmentation algorithms and their implementations are rapid and yield practical run time on very large data sets. The purpose of this paper is to present a parallel version of an algorithm that belongs to the family of fuzzy connectedness (FC) algorithms, to achieve an interactive speed for segmenting large medical image data sets. Methods: The most common FC segmentations, optimizing an Script-Small-L {sub {infinity}}-based energy, are known as relative fuzzy connectedness (RFC) and iterative relative fuzzy connectedness (IRFC). Both RFC and IRFC objects (of which IRFC contains RFC) can be found via linear time algorithms, linear with respect to the image size. The new algorithm, P-ORFC (for parallel optimal RFC), which is implemented by using NVIDIA's Compute Unified Device Architecture (CUDA) platform, considerably improves the computational speed of the above mentioned CPU based IRFC algorithm. Results: Experiments based on four data sets of small, medium, large, and super data size, achieved speedup factors of 32.8 Multiplication-Sign , 22.9 Multiplication-Sign , 20.9 Multiplication-Sign , and 17.5 Multiplication-Sign , correspondingly, on the NVIDIA Tesla C1060 platform. Although the output of P-ORFC need not precisely match that of IRFC output, it is very close to it and, as the authors prove, always lies between the RFC and IRFC objects. Conclusions: A parallel version of a top-of-the-line algorithm in the family of FC has been developed on the NVIDIA GPUs. An interactive speed of segmentation has been achieved, even for the largest medical image data set. Such GPU implementations may play a crucial role in automatic anatomy recognition in clinical radiology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1986

Analytic method for calculating properties of random walks on networks

A method for calculating the properties of discrete random walks on networks is presented. The method divides complex networks into simpler units whose contribution to the mean first-passage time is calculated. The simplified network is then further iterated. The method is demonstrated by calculating mean first-passage times on a segment, a segment with a single dangling bond, a segment with many dangling bonds, and a looplike structure. The results are analyzed and related to the applicability of the Einstein relation between conductance and diffusion.

Goldhirsch, I.↗
NASA NTRS1990

Simulation of crack growth and crack closure under large cyclic plasticity

The propagation of a crack during cyclic loading with large plasticity was simulated using a finite element method. The numerical procedure included the determination of crack closing and opening by examining the contact condition of the crack surfaces in the plasticity iteration. The method was applied to the growth of cracks in Alloy 718 single edge notch specimens at 538 C subject to strain cycling under both nominally elastic and elastoplastic conditions. The results show, among other things, that the crack closure and opening stresses become more compressive as the loading becomes more plastic, and that, under a given control condition, the closure and opening stresses become less compressive as the crack propagates.

Kim, K. S.↗
NASA NTRS1991

Airfoil design method using the Navier-Stokes equations

An airfoil design procedure is described that was incorporated into an existing 2-D Navier-Stokes airfoil analysis method. The resulting design method, an iterative procedure based on a residual-correction algorithm, permits the automated design of airfoil sections with prescribed surface pressure distributions. The inverse design method and the technique used to specify target pressure distributions are described. It presents several example problems to demonstrate application of the design procedure. It shows that this inverse design method develops useful airfoil configurations with a reasonable expenditure of computer resources.

Malone, J. B.↗
NASA NTRSDate not supplied

Multi-Impulse to Time Optimal Finite Burn Trajectory Conversion

A novel algorithm is presented that provides an improvement over a traditional parameter optimization method when solving time-optimal, finite-burn pseudo-rendezvous spacecraft trajectory problems. A hybrid optimization procedure is described that converts a set of multiple-impulses, representing high- or low-thrust maneuvers, to an exact time-optimal finite-burn trajectory for a thrust limited, constant exhaust velocity spacecraft. The Hybrid Method applies a control law derived from the Euler-Lagrange system of equations within the classical Indirect Method to a modern Direct Method. An iterative adjoint-control transformation and an evolving constraint vector are introduced to solve the optimal control two-point boundary value problem. This method requires no prior knowledge of the solution, which adds simplicity to the trajectory design process and aids automation. Examples are shown for low-thrust apogee raise maneuvers, non-coplanar Earth orbit transfers, and a modified Deep Space 1 low-thrust trajectory. A numerically significant improvement to objective cost is shown across all application problems compared to a traditional solution method, as well as a significant improvement to convergence speed for a select class of problems.

Joshua A Fogel↗
NASA NTRS1986

Determination of water vapor profiles and total ozone burden from HIRS2/MSU sounding data

Algorithms for determining total ozone content and humidity from HIRS2/MSU data are examined. The methods are based on the ability to accurately model the response of a given channel to changes in a given atmospheric component. The steps of the iterative relaxation method for determining atmospheric water vapor and ozone content are described. Examples of retrieved fields of total ozone and precipitable water are presented.

Reuter, D.↗
DOE OSTI2016

Fast Megavoltage Computed Tomography: A Rapid Imaging Method for Total Body or Marrow Irradiation in Helical Tomotherapy

Purpose: Megavoltage computed tomographic (MVCT) imaging has been widely used for the 3-dimensional (3-D) setup of patients treated with helical tomotherapy (HT). One drawback of MVCT is its very long imaging time, the result of slow couch speeds of approximately 1 mm/s, which can be difficult for the patient to tolerate. We sought to develop an MVCT imaging method allowing faster couch speeds and to assess its accuracy for image guidance for HT. Methods and Materials: Three cadavers were scanned 4 times with couch speeds of 1, 2, 3, and 4 mm/s. The resulting MVCT images were reconstructed using an iterative reconstruction (IR) algorithm with a penalty term of total variation and with a conventional filtered back projection (FBP) algorithm. The MVCT images were registered with kilovoltage CT images, and the registration errors from the 2 reconstruction algorithms were compared. This fast MVCT imaging was tested in 3 cases of total marrow irradiation as a clinical trial. Results: The 3-D registration errors of the MVCT images reconstructed with the IR algorithm were smaller than the errors of images reconstructed with the FBP algorithm at fast couch speeds (2, 3, 4 mm/s). The scan time and imaging dose at a speed of 4 mm/s were reduced to 30% of those from a conventional coarse mode scan. For the patient imaging, faster MVCT (3 mm/s couch speed) scanning reduced the imaging time and still generated images useful for anatomic registration. Conclusions: Fast MVCT with the IR algorithm is clinically feasible for large 3-D target localization, which may reduce the overall time for the treatment procedure. This technique may also be useful for calculating daily dose distributions or organ motion analyses in HT treatment over a wide area. Automated integration of this imaging is at least needed to further assess its clinical benefits.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

A hybrid reconstruction algorithm for fast and accurate 4D cone-beam CT imaging

Purpose: 4D cone beam CT (4D-CBCT) has been utilized in radiation therapy to provide 4D image guidance in lung and upper abdomen area. However, clinical application of 4D-CBCT is currently limited due to the long scan time and low image quality. The purpose of this paper is to develop a new 4D-CBCT reconstruction method that restores volumetric images based on the 1-min scan data acquired with a standard 3D-CBCT protocol. Methods: The model optimizes a deformation vector field that deforms a patient-specific planning CT (p-CT), so that the calculated 4D-CBCT projections match measurements. A forward-backward splitting (FBS) method is invented to solve the optimization problem. It splits the original problem into two well-studied subproblems, i.e., image reconstruction and deformable image registration. By iteratively solving the two subproblems, FBS gradually yields correct deformation information, while maintaining high image quality. The whole workflow is implemented on a graphic-processing-unit to improve efficiency. Comprehensive evaluations have been conducted on a moving phantom and three real patient cases regarding the accuracy and quality of the reconstructed images, as well as the algorithm robustness and efficiency. Results: The proposed algorithm reconstructs 4D-CBCT images from highly under-sampled projection data acquired with 1-min scans. Regarding the anatomical structure location accuracy, 0.204 mm average differences and 0.484 mm maximum difference are found for the phantom case, and the maximum differences of 0.3–0.5 mm for patients 1–3 are observed. As for the image quality, intensity errors below 5 and 20 HU compared to the planning CT are achieved for the phantom and the patient cases, respectively. Signal-noise-ratio values are improved by 12.74 and 5.12 times compared to results from FDK algorithm using the 1-min data and 4-min data, respectively. The computation time of the algorithm on a NVIDIA GTX590 card is 1–1.5 min per phase. Conclusions: High-quality 4D-CBCT imaging based on the clinically standard 1-min 3D CBCT scanning protocol is feasible via the proposed hybrid reconstruction algorithm.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Technical Note: Impact of the geometry dependence of the ion chamber detector response function on a convolution-based method to address the volume averaging effect

Purpose: To investigate the geometry dependence of the detector response function (DRF) of three commonly used scanning ionization chambers and its impact on a convolution-based method to address the volume averaging effect (VAE). Methods: A convolution-based approach has been proposed recently to address the ionization chamber VAE. It simulates the VAE in the treatment planning system (TPS) by iteratively convolving the calculated beam profiles with the DRF while optimizing the beam model. Since the convolved and the measured profiles are subject to the same VAE, the calculated profiles match the implicit “real” ones when the optimization converges. Three DRFs (Gaussian, Lorentzian, and parabolic function) were used for three ionization chambers (CC04, CC13, and SNC125c) in this study. Geometry dependent/independent DRFs were obtained by minimizing the difference between the ionization chamber-measured profiles and the diode-measured profiles convolved with the DRFs. These DRFs were used to obtain eighteen beam models for a commercial TPS. Accuracy of the beam models were evaluated by assessing the 20%–80% penumbra width difference (PWD) between the computed and diode-measured beam profiles. Results: The convolution-based approach was found to be effective for all three ionization chambers with significant improvement for all beam models. Up to 17% geometry dependence of the three DRFs was observed for the studied ionization chambers. With geometry dependent DRFs, the PWD was within 0.80 mm for the parabolic function and CC04 combination and within 0.50 mm for other combinations; with geometry independent DRFs, the PWD was within 1.00 mm for all cases. When using the Gaussian function as the DRF, accounting for geometry dependence led to marginal improvement (PWD < 0.20 mm) for CC04; the improvement ranged from 0.38 to 0.65 mm for CC13; for SNC125c, the improvement was slightly above 0.50 mm. Conclusions: Although all three DRFs were found adequate to represent the response of the studied ionization chambers, the Gaussian function was favored due to its superior overall performance. The geometry dependence of the DRFs can be significant for clinical applications involving small fields such as stereotactic radiotherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Quantification of regional early stage gas exchange changes using hyperpolarized {sup 129}Xe MRI in a rat model of radiation-induced lung injury

Purpose: To assess the feasibility of hyperpolarized (HP) {sup 129}Xe MRI for detection of early stage radiation-induced lung injury (RILI) in a rat model involving unilateral irradiation by assessing differences in gas exchange dynamics between irradiated and unirradiated lungs. Methods: The dynamics of gas exchange between alveolar air space and pulmonary tissue (PT), PT and red blood cells (RBCs) was measured using single-shot spiral iterative decomposition of water and fat with echo asymmetry and least-squares estimation images of the right and left lungs of two age-matched cohorts of Sprague Dawley rats. The first cohort (n = 5) received 18 Gy irradiation to the right lung using a {sup 60}Co source and the second cohort (n = 5) was not irradiated and served as the healthy control. Both groups were imaged two weeks following irradiation when radiation pneumonitis (RP) was expected to be present. The gas exchange data were fit to a theoretical gas exchange model to extract measurements of pulmonary tissue thickness (L{sub PT}) and relative blood volume (V{sub RBC}) from each of the right and left lungs of both cohorts. Following imaging, lung specimens were retrieved and percent tissue area (PTA) was assessed histologically to confirm RP and correlate with MRI measurements. Results: Statistically significant differences in L{sub PT} and V{sub RBC} were observed between the irradiated and non-irradiated cohorts. In particular, L{sub PT} of the right and left lungs was increased approximately 8.2% and 5.0% respectively in the irradiated cohort. Additionally, V{sub RBC} of the right and left lungs was decreased approximately 36.1% and 11.7% respectively for the irradiated cohort compared to the non-irradiated cohort. PTA measurements in both right and left lungs were increased in the irradiated group compared to the non-irradiated cohort for both the left (P < 0.05) and right lungs (P < 0.01) confirming the presence of RP. PTA measurements also correlated with the MRI measurements for both the non-irradiated (r = 0.79, P < 0.01) and irradiated groups (r = 0.91, P < 0.01). Conclusions: Regional RILI can be detected two weeks post-irradiation using HP {sup 129}Xe MRI and analysis of gas exchange curves. This approach correlates well with histology and can potentially be used clinically to assess radiation pneumonitis associated with early RILI to improve radiation therapy outcomes.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1990

An airfoil design method for viscous flows

An airfoil design procedure is described that has been incorporated into an existing two-dimensional Navier-Stokes airfoil analysis method. The resulting design method, an iterative procedure based on a residual-correction algorithm, permits the automated design of airfoil sections with prescribed surface pressure distributions. This paper describes the inverse design method and the technique used to specify target pressure distributions. An example airfoil design problem is described to demonstrate application of the inverse design procedure. It shows that this inverse design method develops useful airfoil configurations with a reasonable expenditure of computer resources.

Malone, J. B.↗
NASA NTRS1993

Computational analysis of methods for reduction of induced drag

The purpose of this effort was to perform a computational flow analysis of a design concept centered around induced drag reduction and tip-vortex energy recovery. The flow model solves the unsteady three-dimensional Euler equations, discretized as a finite-volume method, utilizing a high-resolution approximate Riemann solver for cell interface flux definitions. The numerical scheme is an approximately-factored block LU implicit Newton iterative-refinement method. Multiblock domain decomposition is used to partition the field into an ordered arrangement of blocks. Three configurations are analyzed: a baseline fuselage-wing, a fuselage-wing-nacelle, and a fuselage-wing-nacelle-propfan. Aerodynamic force coefficients, propfan performance coefficients, and flowfield maps are used to qualitatively access design efficacy. Where appropriate, comparisons are made with available experimental data.

Janus, J. M.↗
NASA NTRS1995

The Schwinger Variational Method

Variational methods have proven invaluable in theoretical physics and chemistry, both for bound state problems and for the study of collision phenomena. The application of the Schwinger variational (SV) method to e-molecule collisions and molecular photoionization has been reviewed previously. The present chapter discusses the implementation of the SV method as applied to e-molecule collisions. Since this is not a review of cross section data, cross sections are presented only to server as illustrative examples. In the SV method, the correct boundary condition is automatically incorporated through the use of Green's function. Thus SV calculations can employ basis functions with arbitrary boundary conditions. The iterative Schwinger method has been used extensively to study molecular photoionization. For e-molecule collisions, it is used at the static exchange level to study elastic scattering and coupled with the distorted wave approximation to study electronically inelastic scattering.

Huo, Winifred M.↗
DOE OSTI2019

Constructing stellarators with quasisymmetry to high order

Here, a method is given to rapidly compute quasisymmetric stellarator magnetic fields for plasma confinement, without the need to call a three-dimensional magnetohydrodynamic equilibrium code inside an optimization iteration. The method is based on direct solution of the equations of magnetohydrodynamic equilibrium and quasisymmetry using Garren & Boozer’s expansion about the magnetic axis ( Phys Fluids B, vol. 3, 1991, p. 2805), and it is several orders of magnitude faster than the conventional optimization approach. The work here extends the method of Landreman et al. ( J. Plasma Phys. , vol. 85, 2019, 905850103), which was limited to flux surfaces with elliptical cross-section, to higher order in the aspect-ratio expansion. As a result, configurations can be generated with strong shaping that achieve quasisymmetry to high accuracy. Using this construction, we give the first numerical demonstrations of Garren and Boozer’s ideal scaling of quasisymmetry breaking with the cube of the inverse aspect ratio. We also demonstrate a strongly non-axisymmetric configuration (vacuum rotational transform $\unicode[STIX]{x1D704} >0.4$ ) in which symmetry-breaking mode amplitudes throughout a finite volume are ${<}2\times 10^{-7}$ , the smallest ever reported. To generate boundary shapes of finite-minor-radius configurations, a careful analysis is given of the effect of substituting a finite minor radius into the near-axis expansion. In conclusion, the approach here can provide analytic insight into the space of possible quasisymmetric stellarator configurations, and it can be used to generate good initial conditions for conventional stellarator optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method

We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping function for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗