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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 199 records · Page 11

Data-driven predictive probability density function control of fiber length stochastic distribution shaping in refining process

Pulp is the most important raw material in paper in paper industries, whose Fiber Length Stochastic Distribution (FLSD) shaping directly determines the energy consumption and paper quality of the subsequent papermaking processes. However, the mean and variance are insufficient to describe the output FLSD shaping, which display non-Gaussian distribution properties. Therefore, the traditional control, method based on the mean and variance of fiber length is difficult to control the FLSD shaping effectively. In this paper, a novel data-driven predictive probability density function (PDF) control method is proposed for output FLSD shaping in refining process. Primarily, in order to improve the approximation accuracy of the PDF employing RBF neural network, the parameters (center value and width) of each RBF basis functions are tuned via utilizing iterative learning control (ILC) law, and the corresponding estimations of weights law can be obtained. Secondly, considering that the conventional linear model of weights vector has drawbacks of low accuracy and weak generalization ability, random vector functional link networks (RVFLNs) based data driven nonlinear modelling method is employed to characterize the prediction model between the input variables and weights vector. Finally, in order to reduce the randomness of the output FLSD, a minimum entropy control method under mean constraint is employed to design the predictive PDF controller for the output FLSD shaping with the help of the established nonlinear stochastic distribution model. Both simulations and experiments are given to illustrate the effectiveness and practicability of the proposed method.

Probability debsity function, Fiber length distrib↗

Investigating the Numerical Stability of Using an Impedance Boundary Condition to Model Broadband Noise Scattering With Acoustic Liners

Reducing aircraft noise is a major objective in the field of computational aeroacoustics. When designing next generation quiet aircraft, it is important to be able to accurately and efficiently predict the acoustic scattering by an aircraft body from a given noise source. Acoustic liners are an effective tool for achieving aircraft noise reduction and are characterized by a frequency-dependent impedance value. Converted into the time-domain using Fourier transforms, an impedance boundary condition can be used to simulate the acoustic wave scattering by geometric bodies treated with acoustic liners. A Broadband Impedance Model will be discussed in which the liner impedance is specified along a wide range of frequencies. The liner impedance boundary condition will be derived and coupled with a time-domain boundary integral equation to model acoustic scattering by a flat plate consisting of both un-lined and lined surfaces. The scattering solution will be obtained iteratively using both spatial and temporal basis functions and the stability will be demonstrated through eigenvalue analysis. Stability will be assessed for its dependence on time step, spatial discretization, as well as temporal basis function order. Both second- and third-order Lagrange temporal basis functions are considered.

acoustics↗

Investigating the Numerical Stability of Using an Impedance Boundary Condition to Model Broadband Noise Scattering With Acoustic Liners

Reducing aircraft noise is a major objective in the field of computational aeroacoustics. When designing next generation quiet aircraft, it is important to be able to accurately and efficiently predict the acoustic scattering by an aircraft body from a given noise source. Acoustic liners are an effective tool for achieving aircraft noise reduction and are characterized by a frequency-dependent impedance value. Converted into the time-domain using Fourier transforms, an impedance boundary condition can be used to simulate the acoustic wave scattering by geometric bodies treated with acoustic liners. A Broadband Impedance Model will be discussed in which the liner impedance is specified along a wide range of frequencies. The liner impedance boundary condition will be derived and coupled with a time-domain boundary integral equation to model acoustic scattering by a flat plate consisting of both un-lined and lined surfaces. The scattering solution will be obtained iteratively using both spatial and temporal basis functions and the stability will be demonstrated through eigenvalue analysis. Stability will be assessed for its dependence on time step, spatial discretization, as well as temporal basis function order. Both second- and third-order Lagrange temporal basis functions are considered.

acoustics↗

The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies

The anti-VEGF receptor 2 antibody IMC-1121B is a promising antiangiogenic drug being tested for treatment of breast and gastric cancer. We have determined the structure of the 1121B Fab fragment in complex with domain 3 of VEGFR2, as well as the structure of a different neutralizing anti-VEGFR2 antibody, 6.64, also in complex with VEGFR2 domain 3. The two Fab fragments bind at opposite ends of VEGFR2 domain 3; 1121B directly blocks VEGF binding, whereas 6.64 may prevent receptor dimerization by perturbing the domain 3:domain 4 interface. Mutagenesis reveals that residues essential for VEGF, 1121B, and 6.64 binding are nonoverlapping among the three contact patches.

60 APPLIED LIFE SCIENCES↗

Least-Squares Adaptive Control Using Chebyshev Orthogonal Polynomials

This paper presents a new adaptive control approach using Chebyshev orthogonal polynomials as basis functions in a least-squares functional approximation. The use of orthogonal basis functions improves the function approximation significantly and enables better convergence of parameter estimates. Flight control simulations demonstrate the effectiveness of the proposed adaptive control approach.

Nguyen, Nhan T.↗

Hadamard multimode optical imaging transceiver

Disclosed is a method and system for simultaneously acquiring and producing results for multiple image modes using a common sensor without optical filtering, scanning, or other moving parts. The system and method utilize the Walsh-Hadamard correlation detection process (e.g., functions/matrix) to provide an all-binary structure that permits seamless bridging between analog and digital domains. An embodiment may capture an incoming optical signal at an optical aperture, convert the optical signal to an electrical signal, pass the electrical signal through a Low-Noise Amplifier (LNA) to create an LNA signal, pass the LNA signal through one or more correlators where each correlator has a corresponding Walsh-Hadamard (WH) binary basis function, calculate a correlation output coefficient for each correlator as a function of the corresponding WH binary basis function in accordance with Walsh-Hadamard mathematical principles, digitize each of the correlation output coefficient by passing each correlation output coefficient through an Analog-to-Digital Converter (ADC), and performing image mode processing on the digitized correlation output coefficients as desired to produce one or more image modes. Some, but not all, potential image modes include: multi-channel access, temporal, range, three-dimensional, and synthetic aperture.

47 OTHER INSTRUMENTATION↗

A Quantitative Comparison between C0 and C1 elements for Solving the Cahn-Hilliard Equation

The Cahn–Hilliard (CH) equation is a time-dependent fourth-order partial differential equation (PDE). When solving the CH equation via the finite element method (FEM), the domain is discretized by C1-continuous basis functions or the equation is split into a pair of second-order PDEs, and discretized via C0-continuous basis functions. In the current work, a quantitative comparison between C1 Hermite and C0 Lagrange elements is carried out using a continuous Galerkin FEM formulation. The different discretizations are evaluated using the method of manufactured solutions solved with Newton’s method and Jacobian-Free Newton Krylov. It is found that the use of linear Lagrange elements provides the fastest computation time for a given number of elements, while the use of cubic Hermite elements provides the lowest error. The results offer a set of benchmarks to consider when choosing basis functions to solve the CH equation. In addition, an example of microstructure evolution demonstrates the different types of elements for a traditional phase-field model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Pion and kaon parton distribution functions from basis light front quantization and QCD evolution

We investigate the parton distribution functions (PDFs) of the pion and the kaon by combining quantum chromodynamics (QCD) evolution with the basis light front quantization. The initial PDFs result from the light front wave functions obtained by diagonalizing the effective Hamiltonian consisting of the holographic QCD confinement potential, a complementary longitudinal confinement potential, and the color-singlet Nambu–Jona-Lasinio interactions. The valence-quark PDF of the pion, after QCD evolution, is consistent with the result from the E-0615 experiment at Fermilab. Meanwhile, the pion structure function calculated from the PDFs agrees with the ZEUS and the H1 experiments at DESY-HERA for large x. Additionally, the ratio of the up quark PDF of the kaon to that of the pion is in agreement with the NA-003 experiment at CERN. Finally, we also present the cross section for the pion-nucleus induced Drell-Yan process with the obtained pion PDFs supplemented by the PDFs of the target nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Continuous-Discontinuous Hybrid Finite Element Method for S{sub N} Transport

Particle transport phenomenon for neutral particles, such as neutrons and photons, is governed by the linear Boltzmann equation, which is a first-order partial differential equation (PDE). In order to solve the transport equation, discontinuous finite element method (DFEM) is heavily developed. However, the large memory consumption due to the extra degrees of freedom is problematic in multi-D calculations. Another path is to recast the transport equation to a second-order form, such as the well-known self-adjoint angular flux equation (SAAF) and the even parity equations, and spatially discretize the equation using continuous finite element method (CFEM). Yet, such forms generally have problems in void situation as the streaming operator contains a 1/σ{sub t} term and becomes singular in void, which draws numerous efforts on developing void-treatment methods. An intuition to mitigate the shortcomings of both methods is then to develop a method that utilizes DFEM in part of the problem where CFEM has issues while in the other part, CFEM is employed to avoid DFEM's high cost. In this work, we present a novel continuous-discontinuous finite element method (CDFEM) for solving the discrete-ordinates (S{sub N}) transport equations. We perform the hybridization between 1/σ{sub t}-weighted least-squares finite element methods (1/σ{sub t}-LSFEM), with continuous basis functions, and first-order solver. Different solvers are defined in different regions, or subdomains, of the problem. The resulting scheme is such that CFEM-SAAF is performed in subdomains with continuous basis functions while upwinding based DFEM solver is utilized in subdomains with discontinuous basis functions. The connection between subdomains is through an upwinding operation on the interface, which can be performed via the sweep procedure. A foreseeable benefit is such a scheme is compatible with void as first-order DFEM solver can be used in void. On the other hand, as DFEM is only used in part of the problem, CDFEM can effectively avoid the notorious memory consumption of DFEM in multi-D calculation for the future work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Numerical Technique for Analyzing Rotating Rake Mode Measurements in a Duct With Passive Treatment and Shear Flow

A technique is presented for the analysis of measured data obtained from a rotating microphone rake system. The system is designed to measure the interaction modes of ducted fans. A Fourier analysis of the data from the rotating system results in a set of circumferential mode levels at each radial location of a microphone inside the duct. Radial basis functions are then least-squares fit to this data to obtain the radial mode amplitudes. For ducts with soft walls and mean flow, the radial basis functions must be numerically computed. The linear companion matrix method is used to obtain both the eigenvalues of interest, without an initial guess, and the radial basis functions. The governing equations allow for the mean flow to have a boundary layer at the wall. In addition, a nonlinear least-squares method is used to adjust the wall impedance to best fit the data in an attempt to use the rotating system as an in-duct wall impedance measurement tool. Simulated and measured data are used to show the effects of wall impedance and mean flow on the computed results.

Dahl, Milo D.↗

Image reconstruction in higher dimensions: myocardial perfusion imaging of tracer dynamics with cardiac motion due to deformation and respiration

Myocardial perfusion imaging (MPI) using slow rotating large field of view cameras requires spatiotemporal reconstruction of dynamically acquired data to capture the time variation of the radiotracer concentration. In vivo, MPI contains additional degrees of freedom involving unavoidable motion of the heart due to quasiperiodic beating and the effects of respiration, which can severely degrade the quality of the images. This work develops a technique for a single photon emission computed tomography (SPECT) that reconstructs the distribution of the radiotracer concentration in the myocardium using a tensor product of different sets of basis functions that approximately describe the spatiotemporal variation of the radiotracer concentration and the motion of the heart. In this study the temporal B-spline basis functions are chosen to reflect the dynamics of the radiotracer, while the intrinsic deformation and the extrinsic motion of the heart are described by a product of a discrete set of Gaussian basis functions. Reconstruction results are presented showing the dynamics of the tracer in the myocardium as it deforms due to cardiac beating, and is displaced due to respiratory motion. We find these results are compared with the conventional 4D-spatiotemporal reconstruction method that models only the temporal changes of the tracer activity. The higher dimensional reconstruction method proposed here improves bias, yet the signal-to-noise ratio (SNR) decreases slightly due to redistribution of the counts over the cardiac-respiratory gates. Finally, there is a trade-off between the number of gates and the number of projections per gate to achieve high contrast images.

60 APPLIED LIFE SCIENCES↗

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis set without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.

74 ATOMIC AND MOLECULAR PHYSICS↗

The origin of linear scaling Fock matrix calculation with density prescreening

A theorem was proven, which reads that the number of nonzero two-electron integrals scales linearly with respect to the number of basis functions for large molecular systems. This permits to show that linear scaling property of the Fock matrix calculation with using density prescreening arises due to linear scaling properties of the number of nonzero two-electron integrals and the number of leading matrix elements of density matrix. This property is reinforced by employing the density prescreening technique. The use of the density difference prescreening further improves the linear scaling property of the Fock matrix calculation method. As a result, the linear scaling regime of the Fock matrix calculation can begin from the number of basis functions of 2000–3000 in dependence on the basis function type in molecular calculations. It was also shown that the conventional algorithm of Fock matrix calculation from stored nonzero two-electron integrals with density prescreening possesses linear scaling property.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An orthogonal oriented quadrature hexagonal image pyramid

An image pyramid has been developed with basis functions that are orthogonal, self-similar, and localized in space, spatial frequency, orientation, and phase. The pyramid operates on a hexagonal sample lattice. The set of seven basis functions consist of three even high-pass kernels, three odd high-pass kernels, and one low-pass kernel. The three even kernels are identified when rotated by 60 or 120 deg, and likewise for the odd. The seven basis functions occupy a point and a hexagon of six nearest neighbors on a hexagonal sample lattice. At the lowest level of the pyramid, the input lattice is the image sample lattice. At each higher level, the input lattice is provided by the low-pass coefficients computed at the previous level. At each level, the output is subsampled in such a way as to yield a new hexagonal lattice with a spacing sq rt 7 larger than the previous level, so that the number of coefficients is reduced by a factor of 7 at each level. The relationship between this image code and the processing architecture of the primate visual cortex is discussed.

Watson, Andrew B.↗

Sparse modeling of space- and time-varying diffraction response of a progressively loaded aluminum alloy

Highlights: • Plasticity induces crystal orientation and lattice spacing heterogeneity. • High energy x-ray diffraction spot broadening typically accompanies plasticity. • Method quantifies spot broadening in difficult, mixed microstructure data. • Algorithm finds sparse combination of entries from dictionary of peak functions. • Approach showed asymmetric plastic response in preprocessed AA7075 T651 sample. - Abstract: High energy X-ray diffraction data collected in situ during loading experiments permits probing of the crystal structure of a plastically deforming material sample. An elastoplastic deformation is associated with heterogeneity in both crystal orientation and lattice spacing—each manifesting as azimuthal broadening and radial broadening of diffraction peaks respectively. Quantifying the spreading effect is challenging, especially in cases where the sample has a granularity between that of a single crystal and fine grain or powder material. The approach developed in this paper begins by modeling the intensity signal in the vicinity of a Debye-Scherrer ring as a sparse, nonnegative superposition of Gaussian basis functions drawn from an over-complete dictionary. Processing automatically selects from the dictionary basis functions whose widths and amplitudes are representative of the data. The chosen basis functions are used to compute scalar measures of radial and azimuthal broadening for the set of diffraction peaks composing a Debye-Scherrer ring. To demonstrate the utility of the approach, we show that analysis of diffraction peak shape information from an aluminum alloy 7075 T651 (AA7075 T651) sample provides insight into the origin of material state that would have otherwise have been difficult if not impossible to extract using conventional methods. Furthermore, the extracted information revealed a deformation response linked to the processing history of the sample.

36 MATERIALS SCIENCE↗

Using multi-dimensional Smolyak interpolation to make a sum-of-products potential

We propose a new method for obtaining potential energy surfaces in sum-of-products (SOP) form. If the number of terms is small enough, a SOP potential surface significantly reduces the cost of quantum dynamics calculations by obviating the need to do multidimensional integrals by quadrature. The method is based on a Smolyak interpolation technique and uses polynomial-like or spectral basis functions and 1D Lagrange-type functions. When written in terms of the basis functions from which the Lagrange-type functions are built, the Smolyak interpolant has only a modest number of terms. The ideas are tested for HONO (nitrous acid)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A full simulation of a vortex ring

A three-dimensional spectral method is developed for the solution to the incompressible Navier-Stokes equations in an unbounded domain. The spectral method relies on divergence-free basis functions as proposed by Leonard (1981). The basis functions are formed using vector spherical harmonics and Jacobi polynomials together with a mapping in the radial direction. An axisymmetric code was written and is verified using an exact solution of the Stokes equations. Preliminary results for the evolution of a vortex ring according to the Navier-Stokes equations are presented.

Stanaway, S. K.↗

Higher Order Bases in a 2D Hybrid BEM/FEM Formulation

The advantages of using higher order, interpolatory basis functions are examined in the analysis of transverse electric (TE) plane wave scattering by homogeneous, dielectric cylinders. A boundary-element/finite-element (BEM/FEM) hybrid formulation is employed in which the interior dielectric region is modeled with the vector Helmholtz equation, and a radiation boundary condition is supplied by an Electric Field Integral Equation (EFIE). An efficient method of handling the singular self-term arising in the EFIE is presented. The iterative solution of the partially dense system of equations is obtained using the Quasi-Minimal Residual (QMR) algorithm with an Incomplete LU Threshold (ILUT) preconditioner. Numerical results are shown for the case of an incident wave impinging upon a square dielectric cylinder. The convergence of the solution is shown versus the number of unknowns as a function of the completeness order of the basis functions.

Fink, Patrick W.↗