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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A method to predict texture effect on ion beam channeling analysis of polycrystals and the application to study the mosaic spreading effect in highly oriented pyrolytic graphite

We propose a method to convert the channeling Rutherford backscattering spectrum yield map of a single crystal to a polycrystal through a matrix rotation technique. The rotation matrix is determined by the deviation of the crystal axial direction from the original z axis. The final yield map is created after averaging the rotated yields using the texture function as the weight factor. For highly oriented pyrolytic graphite (HOPG) exhibiting mosaic spread, the method leads to a Gaussian kernel averaging of the map obtained from a single crystal. The yield map of a single crystal is obtained by a simulation of ion trajectories in a potential field described by Moliere screened Coulomb potentials. Yield maps are calculated under various σ values (standard deviations of mosaic spread). The simulated results are compared with experimental results obtained using 1.2 MeV alpha particle. σ is extracted through the best fitting, demonstrating that the method can be used to obtain texture details. The effects of mosaic spread on minimum yield χ min and the half-width at half maximum of angular scans ψ ½ are systematically modeled and compared with previous theoretical equations. The study also shows that previous theoretical equations are valid only at small σ values. The proposed method can be applied to any type of polycrystal and is not limited to HOPG. It provides near-surface mosaic spread and crystallography information with a longitudinal depth resolution of tens of nanometers and is not influenced by grain shapes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Learning molecular energies using localized graph kernels

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Fast synchronization-free algorithms for parallel sparse triangular solves with multiple right-hand sides

The sparse triangular solve kernels, SpTRSV and SpTRSM, are important building blocks for a number of numerical linear algebra routines. Parallelizing SpTRSV and SpTRSM on today's many-core platforms, such as GPUs, is not an easy task since computing a component of the solution may depend on previously computed components, enforcing a degree of sequential processing. As a consequence, most existing work introduces a preprocessing stage to partition the components into a group of level-sets or colour-sets so that components within a set are independent and can be processed simultaneously during the subsequent solution stage. However, this class of methods requires a long preprocessing time as well as significant runtime synchronization over-heads between the sets. To address this, we

HPC↗
DOE OSTI2015

SU-F-BRA-15: Physical Aspects and Clinical Applications of Post-Treatment Yttrium-90 PET-Based Dosimetry

Purpose: The accuracy of PET-based post-treatment dosimetry of yttrium-90 microspheres has been improving over the past decade and is now at a stage, permitting volumetric dose-outcome studies. We outline the recent advances and identify the physical limitations to the accuracy of the dose calculations. Methods: Convolution of the measured PET activity density distribution with a pre-calculated voxel-dose-kernel (VDK) is the most widely used method for dose reconstruction. Therefore, accurate knowledge of the beta+ branching ratio as well as the micro-dosimetric characteristics of electron interactions within the microsphere is essential for the computation of the dose kernel. We implement a model of the microspheres used in our clinic to calculate the modified electron energy spectrum at the microsphere’s surface and to determine the impact of self-shielding on the dose reconstruction. The three-dimensional dose distributions obtained for 10 patients treated with radio-embolization with yttrium-90 microspheres are evaluated and various DVH markers are investigated for correlation with outcome. Results: The methods for reducing the overall computation uncertainty are systematically outlined in this presentation. Since the latest experimental data on yttrium-90 beta+ branching ratio has a relative uncertainty of 1.5%, all contributing factors derived from Monte Carlo simulations must be brought to a sub 1% level. The self-shielding within the microspheres is found to be responsible for up to 6% reduction of the reconstructed dose in low-gradient regions and must be taken into account. The contribution of trace amounts of other beta+ emitters introduced during the manufacturing process is also discussed. Conclusion: The accelerating pace of clinical adoption of PET-based post-treatment dosimetry is mainly due to advances in both quantitative PET imaging and physical models of dose deposition. We show that the overall physical dose uncertainty in the convolution step can be further reduced, thus making ongoing multi-institutional dose-outcome studies even more reliable.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1994

A fast numerical solution of scattering by a cylinder: Spectral method for the boundary integral equations

It is known that the exact analytic solutions of wave scattering by a circular cylinder, when they exist, are not in a closed form but in infinite series which converges slowly for high frequency waves. In this paper, we present a fast number solution for the scattering problem in which the boundary integral equations, reformulated from the Helmholtz equation, are solved using a Fourier spectral method. It is shown that the special geometry considered here allows the implementation of the spectral method to be simple and very efficient. The present method differs from previous approaches in that the singularities of the integral kernels are removed and dealt with accurately. The proposed method preserves the spectral accuracy and is shown to have an exponential rate of convergence. Aspects of efficient implementation using FFT are discussed. Moreover, the boundary integral equations of combined single and double-layer representation are used in the present paper. This ensures the uniqueness of the numerical solution for the scattering problem at all frequencies. Although a strongly singular kernel is encountered for the Neumann boundary conditions, we show that the hypersingularity can be handled easily in the spectral method. Numerical examples that demonstrate the validity of the method are also presented.

Hu, Fang Q.↗
NASA NTRS2011

Time delay and distance measurement

A method for measuring time delay and distance may include providing an electromagnetic radiation carrier frequency and modulating one or more of amplitude, phase, frequency, polarization, and pointing angle of the carrier frequency with a return to zero (RZ) pseudo random noise (PN) code. The RZ PN code may have a constant bit period and a pulse duration that is less than the bit period. A receiver may detect the electromagnetic radiation and calculate the scattering profile versus time (or range) by computing a cross correlation function between the recorded received signal and a three-state RZ PN code kernel in the receiver. The method also may be used for pulse delay time (i.e., PPM) communications.

Abshire, James B.↗
DOE OSTI2014

Model-based PSF and MTF estimation and validation from skeletal clinical CT images

Purpose: A method was developed to correct for systematic errors in estimating the thickness of thin bones due to image blurring in CT images using bone interfaces to estimate the point-spread-function (PSF). This study validates the accuracy of the PSFs estimated using said method from various clinical CT images featuring cortical bones. Methods: Gaussian PSFs, characterized by a different extent in the z (scan) direction than in the x and y directions were obtained using our method from 11 clinical CT scans of a cadaveric craniofacial skeleton. These PSFs were estimated for multiple combinations of scanning parameters and reconstruction methods. The actual PSF for each scan setting was measured using the slanted-slit technique within the image slice plane and the longitudinal axis. The Gaussian PSF and the corresponding modulation transfer function (MTF) are compared against the actual PSF and MTF for validation. Results: The differences (errors) between the actual and estimated full-width half-max (FWHM) of the PSFs were 0.09 ± 0.05 and 0.14 ± 0.11 mm for the xy and z axes, respectively. The overall errors in the predicted frequencies measured at 75%, 50%, 25%, 10%, and 5% MTF levels were 0.06 ± 0.07 and 0.06 ± 0.04 cycles/mm for the xy and z axes, respectively. The accuracy of the estimates was dependent on whether they were reconstructed with a standard kernel (Toshiba's FC68, mean error of 0.06 ± 0.05 mm, MTF mean error 0.02 ± 0.02 cycles/mm) or a high resolution bone kernel (Toshiba's FC81, PSF FWHM error 0.12 ± 0.03 mm, MTF mean error 0.09 ± 0.08 cycles/mm). Conclusions: The method is accurate in 3D for an image reconstructed using a standard reconstruction kernel, which conforms to the Gaussian PSF assumption but less accurate when using a high resolution bone kernel. The method is a practical and self-contained means of estimating the PSF in clinical CT images featuring cortical bones, without the need phantoms or any prior knowledge about the scanner-specific parameters.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

Boundary Corrections for Kernel Approximation to Differential Operators

The kernel-based approach to operator approximation for partial differential equations has been shown to be unconditionally stable for linear PDEs and numerically exhibit unconditional stability for non-linear PDEs. These methods have the same computational cost as an explicit finite difference scheme but can exhibit order reduction at boundaries. In previous work on periodic domains, order reduction was addressed, yielding high-order accuracy. The issue addressed in this work is the elimination of order reduction of the kernel-based approach for a more general set of boundary conditions. Further, we consider the case of both first and second order operators. To demonstrate the theory, we provide not only the mathematical proofs but also experimental results by applying various boundary conditions to different types of equations. The results agree with the theory, demonstrating a systematic path to high order for kernel-based methods on bounded domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

SU-E-T-439: An Improved Formula of Scatter-To-Primary Ratio for Photon Dose Calculation

Purpose: Scatter-to-primary ratio (SPR) is an important dosimetric quantity that describes the contribution from the scatter photons in an external photon beam. The purpose of this study is to develop an improved analytical formula to describe SPR as a function of circular field size (r) and depth (d) using Monte Carlo (MC) simulation. Methods: MC simulation was performed for Mohan photon spectra (Co-60, 4, 6, 10, 15, 23 MV) using EGSNRC code. Point-spread scatter dose kernels in water are generated. The scatter-to-primary ratio (SPR) is also calculated using MC simulation as a function of field size for circular field size with radius r and depth d. The doses from forward scatter and backscatter photons are calculated using a convolution of the point-spread scatter dose kernel and by accounting for scatter photons contributing to dose before (z' d) reaching the depth of interest, d, where z' is the location of scatter photons, respectively. The depth dependence of the ratio of the forward scatter and backscatter doses is determined as a function of depth and field size. Results: We are able to improve the existing 3-parameter (a, w, d0) empirical formula for SPR by introducing depth dependence for one of the parameter d0, which becomes 0 for deeper depths. The depth dependence of d0 can be directly calculated as a ratio of backscatter-to-forward scatter doses for otherwise the same field and depth. With the improved empirical formula, we can fit SPR for all megavoltage photon beams to within 2%. Existing 3-parameter formula cannot fit SPR data for Co-60 to better than 3.1%. Conclusion: An improved empirical formula is developed to fit SPR for all megavoltage photon energies to within 2%.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Simulations of classical three-body thermalization in one dimension

One-dimensional systems, such as nanowires or electrons moving along strong magnetic field lines, have peculiar thermalization physics. The binary collision of pointlike particles, typically the dominant process for reaching thermal equilibrium in higher-dimensional systems, cannot thermalize a 1D system. We study how dilute classical 1D gases thermalize through three-body collisions. We consider a system of identical classical point particles with pairwise repulsive inverse power-law potential V ij ∝ 1/|x i –x j | n or the pairwise Lennard-Jones potential. Using Monte Carlo methods, we compute a collision kernel and use it in the Boltzmann equation to evolve a perturbed thermal state with temperature T toward equilibrium. We explain the shape of the kernel and its dependence on the system parameters. Additionally, we implement molecular dynamics simulations of a many-body gas and show agreement with the Boltzmann evolution in the low-density limit. For the inverse power-law potential, the rate of thermalization is proportional to ρ 2 ⁢T$\frac{1}{2}$ – $\frac{1}{n}$, where ρ is the number density. Furthermore, the corresponding proportionality constant decreases with increasing n.

1-dimensional systems↗
DOE OSTI2025

Cosmological perturbation theory for large scale structure in phase space

We develop a framework for Large Scale Structure (LSS) perturbation theory, that solves the Vlasov-Poisson system of equations for the distribution function in full phase space. This approach relaxes the usual apriori assumption of negligible velocity dispersion underlying the Standard Perturbation Theory (SPT). We apply the new method to rederive the usual SPT kernels up to third order in the perturbative expansion. We also show that a counterterm, identical to the one introduced by standard Effective Field Theory (EFT) methods, naturally arises within our framework. We finish by making a precise connection to EFT techniques, which reveals the necessity of the EFTofLSS to self-consistently model the long-wavelength fluid, and illustrates the importance of having theoretical control over short distance fluctuations.

Cosmological perturbation theory in GR and beyond↗
DOE OSTI2015

SU-E-T-36: A GPU-Accelerated Monte-Carlo Dose Calculation Platform and Its Application Toward Validating a ViewRay Beam Model

Purpose: To build a fast, accurate and easily-deployable research platform for Monte-Carlo dose calculations. We port the dose calculation engine PENELOPE to C++, and accelerate calculations using GPU acceleration. Simulations of a Co-60 beam model provided by ViewRay demonstrate the capabilities of the platform. Methods: We built software that incorporates a beam model interface, CT-phantom model, GPU-accelerated PENELOPE engine, and GUI front-end. We rewrote the PENELOPE kernel in C++ (from Fortran) and accelerated the code on a GPU. We seamlessly integrated a Co-60 beam model (obtained from ViewRay) into our platform. Simulations of various field sizes and SSDs using a homogeneous water phantom generated PDDs, dose profiles, and output factors that were compared to experiment data. Results: With GPU acceleration using a dated graphics card (Nvidia Tesla C2050), a highly accurate simulation – including 100*100*100 grid, 3×3×3 mm3 voxels, <1% uncertainty, and 4.2×4.2 cm2 field size – runs 24 times faster (20 minutes versus 8 hours) than when parallelizing on 8 threads across a new CPU (Intel i7-4770). Simulated PDDs, profiles and output ratios for the commercial system agree well with experiment data measured using radiographic film or ionization chamber. Based on our analysis, this beam model is precise enough for general applications. Conclusions: Using a beam model for a Co-60 system provided by ViewRay, we evaluate a dose calculation platform that we developed. Comparison to measurements demonstrates the promise of our software for use as a research platform for dose calculations, with applications including quality assurance and treatment plan verification.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1999

Reduced Order Models Based on Linear and Nonlinear Aerodynamic Impulse Responses

This paper discusses a method for the identification and application of reduced-order models based on linear and nonlinear aerodynamic impulse responses. The Volterra theory of nonlinear systems and an appropriate kernel identification technique are described. Insight into the nature of kernels is provided by applying the method to the nonlinear Riccati equation in a non-aerodynamic application. The method is then applied to a nonlinear aerodynamic model of an RAE 2822 supercritical airfoil undergoing plunge motions using the CFL3D Navier-Stokes flow solver with the Spalart-Allmaras turbulence model. Results demonstrate the computational efficiency of the technique.

Silva, Walter A.↗
NASA NTRS1999

Reduced-Order Models Based on Linear and Nonlinear Aerodynamic Impulse Responses

This paper discusses a method for the identification and application of reduced-order models based on linear and nonlinear aerodynamic impulse responses. The Volterra theory of nonlinear systems and an appropriate kernel identification technique are described. Insight into the nature of kernels is provided by applying the method to the nonlinear Riccati equation in a non-aerodynamic application. The method is then applied to a nonlinear aerodynamic model of RAE 2822 supercritical airfoil undergoing plunge motions using the CFL3D Navier-Stokes flow solver with the Spalart-Allmaras turbulence model. Results demonstrate the computational efficiency of the technique.

Silva, Walter A.↗
DOE OSTI2016

SU-F-T-667: Development and Validation of Dose Calculation for An Open-Source KV Treatment Planning System for Small Animal Radiotherapy

Purpose: An open-source, convolution/superposition based kV-treatment planning system(TPS) was developed for small animal radiotherapy from previously existed in-house MV-TPS. It is flexible and applicable to both step and shoot and helical tomotherapy treatment delivery. For initial commissioning process, the dose calculation from kV-TPS was compared with measurements and Monte Carlo(MC) simulations. Methods: High resolution, low energy kernels were simulated using EGSnrc user code EDKnrc, which was used as an input in kV-TPS together with MC-simulated x-ray beam spectrum. The Blue Water™ homogeneous phantom (with film inserts) and heterogeneous phantom (with film and TLD inserts) were fabricated. Phantom was placed at 100cm SSD, and was irradiated with 250 kVp beam for 10mins with 1.1cm × 1.1cm open field (at 100cm) created by newly designed binary micro-MLC assembly positioned at 90cm SSD. Gafchromic™ EBT3 film was calibrated in-phantom following AAPM TG-61 guidelines, and were used for measurement at 5 different depths in phantom. Calibrated TLD-100s were obtained from ADCL. EGS and MNCP5 simulation were used to model experimental irradiation set up calculation of dose in phantom. Results: Using the homogeneous phantom, dose difference between film and kV-TPS was calculated: mean(x)=0.9%; maximum difference(MD)=3.1%; standard deviation(σ)=1.1%. Dose difference between MCNP5 and kV-TPS was: x=1.5%; MD=4.6%; σ=1.9%. Dose difference between EGS and kV-TPS was: x=0.8%; MD=1.9%; σ=0.8%. Using the heterogeneous phantom, dose difference between film and kV-TPS was: x=2.6%; MD=3%; σ=1.1%; and dose difference between TLD and kV-TPS was: x=2.9%; MD=6.4%; σ=2.5%. Conclusion: The inhouse, open-source kV-TPS dose calculation system was comparable within 5% of measurements and MC simulations in both homogeneous and heterogeneous phantoms. The dose calculation system of the kV-TPS is validated as a part of initial commissioning process for small animal radiotherapy. The kV-TPS has the potential for accurate dose calculation for any kV treatment or imaging modalities.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Studies of Analytic Evolution of Two-Photon Generalized Distribution Amplitude in QCD

We extend our method of analytic ERBL evolution for the case of distribution amplitudes that have jumps at some points x = {zeta}{sub I} inside the support region 0 < x < 1. As an application of the method, we use it for evolution of the two-photon generalized distribution amplitude. Our approach has advantages over the standard method of expansion in Gegenbauer polynomials, which requires infinite number of terms in order to accuretly reproduce functions in the vicinity of singular points, and over the method of straightforward iteration of initial distribution with evolution kernel which produces logarithmically divergent terms at each iteration. In our method, the logarithmic singularities are summed from the start, which immediately produces a continuous curve, with only one or two iterations needed afterwards in order to get precise results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗