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At least 271 records · Page 15

Finite-Element Z-Matrix Calculation of Electron-N2 Collisions

The finite element Z-matrix method has been applied in a multichannel study of e-N2 Collisions for electron energies from threshold to 30 eV. General agreement is obtained comparing with existing experimental and theoretical data. Some discrepancies are also found.

Huo, Winifred M.↗

Euler angles, quaternions, and transformation matrices for space shuttle analysis

Relationships between the Euler angles and the transformation matrix, the quaternion and the transformation matrix, and the Euler angles and the quaternion are analyzed, and equations developed are applied directly to current space shuttle problems. The twelve three-axis Euler transformation matrices as functions of the Euler angles, the equations for the quaternion as a function of the Euler angles, and the Euler angles as a function of the transformation matrix elements are included along with a group of utility subroutines to accomplish the Euler matrix, quaternion matrix, and Euler quaternion relationships.

Henderson, D. M.↗

Polarimetric sensitivity of light-absorbing carbonaceous aerosols over ocean: A theoretical assessment

Visible-light-absorbing carbonaceous aerosols within the boundary layer affect the radiance and polarization states of the radiation at the top of the atmosphere. Remote sensing from suborbital and satellite-based platforms utilizes these radiance and polarization signals to retrieve the key properties of these aerosols. Recent retrieval algorithms have shown a progressive trend toward including multi-angular and multi-spectral polarimetric measurements to produce better retrieval accuracy in comparison to those using measurements based on a single viewing angle. Here, we perform a theoretical investigation of the top of atmosphere (TOA) radiance-related reflectance factor (bidirectional reflectance factor (BRF)) and the two types of polarimetry-related factors (polarized bidirectional reflectance factor (pBRF) and the degree of linear polarization (DoLP)) for different types of atmospheric light-absorbing carbonaceous aerosols as a function of particle size distribution. We selected three polarimetric bands corresponding to those utilized by NASA's Airborne Multiangle SpectroPolarimetric Imager (AirMSPI)—near-UV (470 nm), visible (660 nm), and near-infrared (865 nm)—for our simulations which were performed over ocean surface using the successive order of scattering (SOS) algorithm coupled to a Lorenz-Mie aerosol optics model. The analysis of particle phase matrix elements indicates a close relationship between the angular dependencies of DoLP and associated phase matrix components at the shortest polarimetric band (470 nm). Using Jacobian analysis, we find that the radiance- and polarimetry-related reflectance factors of weakly light-absorbing aerosols, such as brown carbon, are more sensitive to changes in particle size and imaginary refractive index in comparison with those of black carbon, which is strongly light-absorbing. Our results suggest that the DoLP data could be used by future retrieval algorithms for reliably estimating microphysical properties of absorbing carbonaceous aerosols with imaginary refractive index less than 0.4.

refractive index↗

Secondary γ-ray decays from the partial-wave $\textit{T}$ matrix with an $\textit{R}$-matrix application to 15 N($p, α_1γ$) 12 C

The secondary γ rays emitted following a nuclear reaction are frequently relatively straightforward to detect experimentally. Despite the large volume of such data, a practical formalism for describing these γ rays in terms of partial-wave $\textit{T}$-matrix elements has never been given. The partial-wave formalism is applicable when $\textit{R}$-matrix methods are used to describe the reaction in question. This paper supplies the needed framework, and it is demonstrated by the application to the 15 N($p, α_1γ$) 12 C reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analytic Confusion Matrix Bounds for Fault Detection and Isolation Using a Sum-of-Squared- Residuals Approach

Given a system which can fail in 1 or n different ways, a fault detection and isolation (FDI) algorithm uses sensor data in order to determine which fault is the most likely to have occurred. The effectiveness of an FDI algorithm can be quantified by a confusion matrix, which i ndicates the probability that each fault is isolated given that each fault has occurred. Confusion matrices are often generated with simulation data, particularly for complex systems. In this paper we perform FDI using sums of squares of sensor residuals (SSRs). We assume that the sensor residuals are Gaussian, which gives the SSRs a chi-squared distribution. We then generate analytic lower and upper bounds on the confusion matrix elements. This allows for the generation of optimal sensor sets without numerical simulations. The confusion matrix bound s are verified with simulated aircraft engine data.

Simon, Dan↗

Investigating sol–gel matrix loading capacity toward producing surrogate nuclear explosive debris with realistic composition

Post detonation nuclear forensic materials which resemble the size, color, elemental composition, and radionuclide content of real nuclear debris would be valuable for developing and validating new nuclear forensic techniques. As nuclear fallout types vary significantly, the ability to tailor each of these parameters accurately is desired to produce materials capable of testing analytical methods under a wide array of forensic scenarios. Sol–gel synthesis techniques can provide tunability of size, shape and composition for producing a wide variety of solid nuclear forensics benchmarking materials. Further, the sol–gel process consists of forming a metal oxide material, often silica, through polymerization of a metal-alkoxy precursor. In this work, we characterize the ability to load sol–gel particles with secondary elemental components such as iron, aluminum, and calcium toward producing benchmarking materials approximating the elemental composition of historic nuclear debris from the Nevada National Security Site. We also demonstrate quantitative radionuclide encapsulation toward producing benchmarking materials with controllable radionuclide content. Finally, we employ these techniques to produce nuclear debris benchmarking materials with controllable elemental matrix composition and radionuclide content and compare these samples with the composition of a historic fallout sample previously reported from the Nevada National Security Site.

36 MATERIALS SCIENCE↗

Theory of a Traveling Wave Feed for a Planar Slot Array Antenna

Planar arrays of waveguide-fed slots have been employed in many radar and remote sensing applications. Such arrays are designed in the standing wave configuration because of high efficiency. Traveling wave arrays can produce greater bandwidth at the expense of efficiency due to power loss in the load or loads. Traveling wave planar slot arrays may be designed with a long feed waveguide consisting of centered-inclined coupling slots. The feed waveguide is terminated in a matched load, and the element spacing in the feed waveguide is chosen to produce a beam squinted from the broadside. The traveling wave planar slot array consists of a long feed waveguide containing resonant-centered inclined coupling slots in the broad wall, coupling power into an array of stacked radiating waveguides orthogonal to it. The radiating waveguides consist of longitudinal offset radiating slots in a standing wave configuration. For the traveling wave feed of a planar slot array, one has to design the tilt angle and length of each coupling slot such that the amplitude and phase of excitation of each radiating waveguide are close to the desired values. The coupling slot spacing is chosen for an appropriate beam squint. Scattering matrix parameters of resonant coupling slots are used in the design process to produce appropriate excitations of radiating waveguides with constraints placed only on amplitudes. Since the radiating slots in each radiating waveguide are designed to produce a certain total admittance, the scattering (S) matrix of each coupling slot is reduced to a 2x2 matrix. Elements of each 2x2 S-matrix and the amount of coupling into the corresponding radiating waveguide are expressed in terms of the element S11. S matrices are converted into transmission (T) matrices, and the T matrices are multiplied to cascade the coupling slots and waveguide sections, starting from the load end and proceeding towards the source. While the use of non-resonant coupling slots may provide an additional degree of freedom in the design, resonant coupling slots simplify the design process. The amplitude of the wave going to the load is set at unity. The S11 parameter, r of the coupling slot closest to the load, is assigned an arbitrary value. A larger value of r will reduce the power dissipated in the load while increasing the reflection coefficient at the input port. It is now possible to obtain the excitation of the radiating waveguide closest to the load and the coefficients of the wave incident and reflected at the input port of this coupling slot. The next coupling slot parameter, r , is chosen to realize the excitation of that radiating waveguide. One continues this process moving towards the source, until all the coupling slot parameters r and hence the S11 parameter of the 4-port coupler, r, are known for each coupling slot. The goal is to produce the desired array aperture distribution in the feed direction. From an interpolation of the computed moment method data for the slot parameters, all the coupling slot tilt angles and lengths are obtained. From the excitations of the radiating waveguides computed from the coupling values, radiating slot parameters may be obtained so as to attain the desired total normalized slot admittances. This process yields the radiating slot parameters, offsets, and lengths. The design is repeated by choosing different values of r for the last coupling slot until the percentage of power dissipated in the load and the input reflection coefficient values are satisfactory. Numerical results computed for the radiation pattern, the tilt angles and lengths of coupling slots, and excitation phases of the radiating waveguides, are presented for an array with uniform amplitude excitation. The design process has been validated using computer simulations. This design procedure is valid for non-uniform amplitude excitations as well.

Rengarajan, Sembiam↗

Does the Coherent Lidar System Corroborate Non-Interaction of Waves (NIW)?

The NIW (non-interaction of waves) property has been proposed by one of the coauthors. The NIW property states that in the absence of any "obstructing" detectors, all the Huygens-Fresnel secondary wavelets will continue to propagate unhindered and without interacting (interfering) with each other. Since a coherent lidar system incorporates complex behaviors of optical components with different polarizations including circular polarization for the transmitted radiation, then the question arises whether the NIW principle accommodate elliptical polarization of light. Elliptical polarization presumes the summation of orthogonally polarized electric field vectors which contradicts the NIW principle. In this paper, we present working of a coherent lidar system using Jones matrix formulation. The Jones matrix elements represent the anisotropic dipolar properties of molecules of optical components. Accordingly, when we use the Jones matrix methodology to analyze the coherent lidar system, we find that the system behavior is congruent with the NIW property.

Prasad, Narasimha S.↗

Tandem LA-ICP-MS & LIBS; A New Micro-Analytical Technique for the Measurement of Every Element in the Periodic Table

Laser Ablation ICP-MS (LA-ICP-MS) has been widely accepted as a microanalytical technique for in-situ trace (ppb) elemental analysis on the micron scale in a variety of geologic materials. LA-ICP-MS (single or multi-collector) provides both elemental and isotopic measurements critical for a wide range of geological research by generating a fine grained aerosol (nm scale) during the laser ablation event and delivering that aerosol to the ICP ion source of the mass spectrometer via an inert carrier gas. LA-ICP-MS, however, suffers from limitations in analyzing high ionization potential elements as well as elements subject to atmospheric and argon based interferences. LA-ICP-MS also has limitations in analyzing major elements due to detector saturation. An alternative laser ablation technique, Laser Induced Breakdown Spectroscopy (LIBS), employs an optical spectrometer integrated into the laser ablation system that analyzes the laser induced plasma at the sample surface across the entire optical spectrum for emission lines of every element in the periodic table. Elements that are difficult or impossible to measure with LA-ICP-MS are now possible to analyze with LIBS down to low ppm levels with CCD and/or ICCD detection. We introduce a new laser based technique, “Tandem LA-LIBS”, that combines LA for ICP-MS and LIBS into one integrated laser ablation system. This system has the effect of expanding the elemental coverage and the dynamic range of the laser ablation experiment as measurements from ppb to % level matrix elements can now be analyzed in a single ablation experiment. We present both femtosecond and nanosecond Tandem LA-LIBS quantitative and qualitative data on wide range of geological materials for those elements that are difficult or impossible by traditional LA-ICP-MS techniques such as F, H, O, N, C, S, halogens, etc. We also demonstrate that the simultaneous measurement of trace, minor and major elements are now possible in a single laser ablation experiment with Tandem LA-LIBS technology.

LA-ICP-MS↗

Scattering amplitudes for monopoles: pairwise little group and pairwise helicity

On-shell methods are particularly suited for exploring the scattering of electrically and magnetically charged objects, for which there is no local and Lorentz invariant Lagrangian description. In this paper we show how to construct a Lorentz-invariant S-matrix for the scattering of electrically and magnetically charged particles, without ever having to refer to a Dirac string. A key ingredient is a revision of our fundamental understanding of multi-particle representations of the Poincaré group. Surprisingly, the asymptotic states for electric-magnetic scattering transform with an additional little group phase, associated with pairs of electrically and magnetically charged particles. The corresponding “pairwise helicity” is identified with the quantized “cross product” of charges, e 1 g 2 - e 2 g 1 , for every charge-monopole pair, and represents the extra angular momentum stored in the asymptotic electromagnetic field. We define a new kind of pairwise spinor-helicity variable, which serves as an additional building block for electric-magnetic scattering amplitudes. We then construct the most general 3-point S-matrix elements, as well as the full partial wave decomposition for the 2 → 2 fermion-monopole S-matrix. In particular, we derive the famous helicity flip in the lowest partial wave as a simple consequence of a generalized spin-helicity selection rule, as well as the full angular dependence for the higher partial waves. Our construction provides a significant new achievement for the on-shell program, succeeding where the Lagrangian description has so far failed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Automatic Overset Grid Generation with Heuristic Feedback Control

An advancing front grid generation system for structured Overset grids is presented which automatically modifies Overset structured surface grids and control lines until user-specified grid qualities are achieved. The system is demonstrated on two examples: the first refines a space shuttle fuselage control line until global truncation error is achieved; the second advances, from control lines, the space shuttle orbiter fuselage top and fuselage side surface grids until proper overlap is achieved. Surface grids are generated in minutes for complex geometries. The system is implemented as a heuristic feedback control (HFC) expert system which iteratively modifies the input specifications for Overset control line and surface grids. It is developed as an extension of modern control theory, production rules systems and subsumption architectures. The methodology provides benefits over the full knowledge lifecycle of an expert system for knowledge acquisition, knowledge representation, and knowledge execution. The vector/matrix framework of modern control theory systematically acquires and represents expert system knowledge. Missing matrix elements imply missing expert knowledge. The execution of the expert system knowledge is performed through symbolic execution of the matrix algebra equations of modern control theory. The dot product operation of matrix algebra is generalized for heuristic symbolic terms. Constant time execution is guaranteed.

Robinson, Peter I.↗

Multinucleon structure and dynamics via quantum computing

We propose a framework for computing the structure and dynamics for second-quantized many-nucleon Hamiltonians on quantum computers. We develop an oracle-based Hamiltonian input model that computes the many-nucleon states and nonzero Hamiltonian matrix elements of the many-nucleon system. With our Fock-state based input model, we show how to implement the sparse matrix simulation algorithms to calculate the dynamics of the second-quantized many-nucleon Hamiltonian. Based on the dynamics simulation methods, we also present the methodology for structure calculations of the many-nucleon system. In this work, we provide an explicit circuit design of our input model of the second-quantized Hamiltonian within a direct encoding scheme that maps the occupation of each available single-particle state in the many-nucleon state to the state of specific qubit in a quantum register. Here, we analyze our method and provide the asymptotic cost in computing resources for structure and dynamics calculations of many-nucleon systems. For pedagogical purposes, we demonstrate our input model with two model problems in restricted model spaces.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Pauli transfer matrix direct reconstruction: channel characterization without full process tomography

Abstract We present a tomographic protocol for the characterization of multiqubit quantum channels. We discuss a specific class of input states, for which the set of Pauli measurements at the output of the channel directly relates to its Pauli transfer matrix components. We compare our results to those of standard quantum process tomography, showing an exponential reduction in the number of different experimental configurations required by a single matrix element extraction, while keeping the same number of shots. This paves the way for more efficient experimental implementations, whenever a selective knowledge of the Pauli transfer matrix is needed. We provide several examples and simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accurate and efficient description of interacting carriers in quantum nanostructures by selected configuration interaction and perturbation theory

In this paper, we present a method to accurately and efficiently calculate many-body states of interacting carriers in quantum nanostructures based on a combination of iterative selection of configurations and perturbation theory. This method enables investigations of large excitonic complexes and multielectron systems with near full configuration interaction accuracy, even though only a small subspace of the full many-body Hilbert space is sampled, thus saving orders of magnitudes in computational resources. Important advantages of this method are that the convergence is controlled by a single parameter, the threshold, and that ground and excited states can be treated on an equal footing. On the example of InAsP nanowire quantum dots described using a million-atom tight-binding approach, we demonstrate the extreme efficiency of the method by numerical studies of large excitonic complexes filling up to the fourth electronic shell. We find that the method generally converges fast as a function of the threshold, profiting from a significant acceleration due to the perturbative corrections. The role of the choice of single-particle basis states is discussed. It is found that the algorithm converges faster in the Hartree-Fock basis only for highly charged systems, where Coulomb repulsion dominates. Finally, based on the observation that second-order perturbative energy corrections only depend on off-diagonal elements of the many-body Hamiltonian, we present a way to accurately calculate many-body states that requires only a relatively small number of Coulomb matrix elements.

36 MATERIALS SCIENCE↗

Fluid flow increases mineralized matrix deposition in 3D perfusion culture of marrow stromal osteoblasts in a dose-dependent manner

Bone is a complex highly structured mechanically active 3D tissue composed of cellular and matrix elements. The true biological environment of a bone cell is thus derived from a dynamic interaction between responsively active cells experiencing mechanical forces and a continuously changing 3D matrix architecture. To investigate this phenomenon in vitro, marrow stromal osteoblasts were cultured on 3D scaffolds under flow perfusion with different rates of flow for an extended period to permit osteoblast differentiation and significant matrix production and mineralization. With all flow conditions, mineralized matrix production was dramatically increased over statically cultured constructs with the total calcium content of the cultured scaffolds increasing with increasing flow rate. Flow perfusion induced de novo tissue modeling with the formation of pore-like structures in the scaffolds and enhanced the distribution of cells and matrix throughout the scaffolds. These results represent reporting of the long-term effects of fluid flow on primary differentiating osteoblasts and indicate that fluid flow has far-reaching effects on osteoblast differentiation and phenotypic expression in vitro. Flow perfusion culture permits the generation and study of a 3D, actively modeled, mineralized matrix and can therefore be a valuable tool for both bone biology and tissue engineering.

Non-NASA Center↗

Deriving the intermediate spectra and photocycle kinetics from time-resolved difference spectra of bacteriorhodopsin. The simpler case of the recombinant D96N protein

The bacteriorhodopsin photocycle contains more than five spectrally distinct intermediates, and the complexity of their interconversions has precluded a rigorous solution of the kinetics. A representation of the photocycle of mutated D96N bacteriorhodopsin near neutral pH was given earlier (Varo, G., and J. K. Lanyi. 1991. Biochemistry. 30:5008-5015) as BRhv-->K<==>L<==>M1-->M2--> BR. Here we have reduced a set of time-resolved difference spectra for this simpler system to three base spectra, each assumed to consist of an unknown mixture of the pure K, L, and M difference spectra represented by a 3 x 3 matrix of concentration values between 0 and 1. After generating all allowed sets of spectra for K, L, and M (i.e., M1 + M2) at a 1:50 resolution of the matrix elements, invalid solutions were eliminated progressively in a search based on what is expected, empirically and from the theory of polyene excited states, for rhodopsin spectra. Significantly, the average matrix values changed little after the first and simplest of the search criteria that disallowed negative absorptions and more than one maximum for the M intermediate. We conclude from the statistics that during the search the solutions strongly converged into a narrow region of the multidimensional space of the concentration matrix. The data at three temperatures between 5 and 25 degrees C yielded a single set of spectra for K, L, and M; their fits are consistent with the earlier derived photocycle model for the D96N protein.

NASA Program Exobiology↗

Flavor diagonal nucleon charges using clover fermions on MILC HISQ ensembles

We present lattice results for the flavor diagonal charges of the proton from the analysis of eight ensembles generated using 2+1+1-flavors of highly improved staggered quarks by the MILC Collaboration. The calculation includes all the needed connected and disconnected contributions to nucleon three-point function. For extracting matrix elements using fits to the spectral decomposition of these correlation functions, two strategies to remove excited state contributions are employed and compared. To renormalize these charges, the 2+1-flavor mixing matrix is calculated in the regularization independent symmetric momentum subtraction intermediate scheme on the lattice. The final results are presented in the $\overline{MS}$ scheme at scale 2 GeV. The axial charges for the proton are $𝑔$$^{𝑢}_{𝐴}$ = 0.781⁢(25), $𝑔$$^{𝑑}_{𝐴}$ =−0.440⁢(39), and $𝑔$$^{𝑠}_{𝐴}$ = −0.055⁢(9); the tensor charges are $𝑔$$^{𝑢}_{𝑇}$ = 0.782⁢(28), $𝑔$$^{𝑑}_{𝑇}$ = −0.195⁢(16), and $𝑔$$^{𝑠}_{𝑇}$ = −0.0016⁢(12); and the scalar charges are $𝑔$$^{𝑢}_{𝑆}$ = 9.39⁢(88), $𝑔$$^{𝑑}_{𝑆}$ = 8.84⁢(93), and $𝑔$$^{𝑠}_{𝑆}$ = 0.37⁢(14). Results for the neutron are given by the 𝑢 ↔ 𝑑 interchange. Results for the sigma terms are 𝜎 𝜋⁢𝑁 | standard = 42⁢(6) MeV from a “standard” analysis and 𝜎 𝜋⁢𝑁 | 𝑁⁢𝜋 = 61⁢(6) MeV from an “𝑁⁢𝜋” analysis that includes the contributions of multihadron 𝑁⁢𝜋 excited states as motivated by chiral perturbation theory. Our preferred value 𝜎 𝜋⁢𝑁 | 𝑁⁢𝜋 is consistent with the phenomenological extraction from 𝜋 −𝑁 scattering data. The strangeness content of the proton, for which the standard analysis is appropriate, is 𝜎 𝑠 | standard = 35⁢(13) MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

K-LL Auger transition probabilities for elements with low and intermediate atomic numbers

Radiationless K-LL transition probabilities have been calculated nonrelativistically in j-j coupling and in intermediate coupling, without and with configuration interaction, for elements with atomic numbers from 13 to 47. The system is treated as a coupled two-hole configuration. The single-particle radial wave functions required in the calculation of radial matrix elements, and in the calculation of mixing coefficients in the intermediate-coupling scheme, were obtained from Green's atomic independent-particle model. Comparison with previous theoretical work and with experimental data is made. The effects of intermediate coupling, configuration interaction, and relativity are noted.

Chen, M. H.↗