SEARCH · Search NASA

Results for “matrix structures”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 73 records · Page 4

All sources NASA NTRS DOE OSTI

DOE OSTI2015

SU-E-I-49: Simulation Study for Removing Scatter Radiation in Cesium-Iodine Based Flat Panel Detector System

Purpose: This study aims to identify the feasibility of a novel cesium-iodine (CsI)-based flat-panel detector (FPD) for removing scatter radiation in diagnostic radiology. Methods: The indirect FPD comprises three layers: a substrate, scintillation, and thin-film-transistor (TFT) layer. The TFT layer has a matrix structure with pixels. There are ineffective dimensions on the TFT layer, such as the voltage and data lines; therefore, we devised a new FPD system having net-like lead in the substrate layer, matching the ineffective area, to block the scatter radiation so that only primary X-rays could reach the effective dimension.To evaluate the performance of this new FPD system, we conducted a Monte Carlo simulation using MCNPX 2.6.0 software. Scatter fractions (SFs) were acquired using no grid, a parallel grid (8:1 grid ratio), and the new system, and the performances were compared.Two systems having different thicknesses of lead in the substrate layer—10 and 20μm—were simulated. Additionally, we examined the effects of different pixel sizes (153×153 and 163×163μm) on the image quality, while keeping the effective area of pixels constant (143×143μm). Results: In case of 10μm lead, the SFs of the new system (∼11%) were lower than those of the other system (∼27% with no grid, ∼16% with parallel grid) at 40kV. However, as the tube voltage increased, the SF of new system (∼19%) was higher than that of parallel grid (∼18%) at 120kV. In the case of 20μm lead, the SFs of the new system were lower than those of the other systems at all ranges of the tube voltage (40–120kV). Conclusion: The novel CsI-based FPD system for removing scatter radiation is feasible for improving the image contrast but must be optimized with respect to the lead thickness, considering the system’s purposes and the ranges of the tube voltage in diagnostic radiology. This study was supported by a grant(K1422651) from Institute of Health Science, Korea University.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2019

Photoluminescence of Amorphous SiO{sub 2} with Implanted Ar{sup +} Ions

Implantation of ions into amorphous silicon dioxide (a-SiO{sub 2}) is widely used in microelectronics (mainly, using Si ions) and in the production of light-guiding components of optical fibers (Ge, P, B ions). All of these elements interact with the matrix oxygen, so the point defects that occur during implantation are not only the result of the displacement of the silicon–oxygen frame atoms from their equilibrium positions, but also reflect the specific chemical interaction in the material. In this study, inert argon ions were implanted into silicon dioxide plates, which excluded chemical reactions. It is demonstrated using photoluminescence (PL) that the highest concentration of point defects in the damaged silicate network belongs to neutral oxygen vacancies (NOVs). The concentration of these and some other induced defects increased with an increase in fluence up to 5 × 10{sup 15} Ar{sup +}/cm{sup 2}, and, with a further increase in dose, the concentration dropped due to annealing of defects in the layer heated by the introduction of ions. The NOV defects appeared in the photoluminescence spectrum in the form of doublets, that is, pairs of bands belonging to the same optical transition. The appearance of doublets is explained by the dependence of the optical transition energy on the localization of identical point defects in zones of different distortions of the matrix structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

ANL Critical Assembly Covariance Matrix Generation - Addendum

In March 2012, a report was issued on covariance matrices for Argonne National Laboratory (ANL) critical experiments. That report detailed the theory behind the calculation of covariance matrices and the methodology used to determine the matrices for a set of 33 ANL experimental set-ups. Since that time, three new experiments have been evaluated and approved. This report essentially updates the previous report by adding in these new experiments to the preceding covariance matrix structure.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Optimizing the Performance of Sparse-Matrix Vector Products on Next-Generation Processors

Matrix-vector products are ubiquitous in high-performance scientific applications and have a growing set of occurrences in advanced data analysis activities. Achieving high performance for these kernels is therefore paramount, in part, because these operations can consume vast amounts of application execution time. In this report we document the development of several sparse-matrix vector product kernel implementations using a variety of programming models and approaches. Each kernel is run on a broad set of matrices selected to demonstrate the wide variety of matrix structure and sparsity that is possible with a single, generic kernel. For benchmarking and performance analysis, we utilize leading computing architectures for the NNSA/ASC program including Intel's Knights Landing processor and IBM's POWER8.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Comparison of the Baseline USL Calculation Methods for Loosely-Coupled and Novel Neutronic Systems [Slides]

Current work includes reconstructing 187-group ENDF B/VII.1 covariance matrix for comparison study to 44-group ENDF B/VII.1 matrix to determine how covariance matrix structures affect the USL calculations and investigating the exact domination mechanism of region-wise sensitivities in a loosely-coupled system. Future work will involve seeking to understand how bias distributions change with reactivity and how to calculate propagate distribution error into USL calculations, as well as how cross section perturbation studies can be extended to other types of calculations, such as shielding calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

MFiX: Fractional-Step Method Implementation

A comprehensive, multiphase computational fluid dynamics (CFD) simulation solves several coupled transport equations including continuity, momentum, species, and energy. Chemical reactions further couple these equations through heats of reaction and rates of formation of products and rates of destruction of reactants. A fractional-step method separates changes attributed to chemical reactions from transport phenomena like convection and diffusion. When the governing equations are split into the transport and reacting components, efficient and independent methodologies can be exploited to solve the different systems. Specifically, discretization of field variable transport equations results in large, sparse matrices which are loosely coupled. These systems are solved in succession using iterative techniques that take advantage of the matrix structure. In contrast, chemical reactions tightly couple field variables locally within the domain (e.g., within a single computational cell) resulting in low dimensional but dense, nonlinear systems that are better solved using direct integration techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Control of Cement Timing, Mineralogy, and Texture on Hydro-chemo-mechanical Coupling from CO2 Injection into Sandstone: A Synthesis

Carbon capture, utilization, and storage (CCUS) has been widely applied to enhance oil recovery (CO2-EOR). A thorough investigation of the impact of injecting CO2 into a heterogeneous reservoir is critical to understanding the overall reservoir robustness and storage performance. We conducted fifteen flow-through tests on Morrow B sandstone that allowed for chemical reactions between a CO2-rich brackish solution and the sandstones, and four creep/flow-through tests that simultaneously allowed for chemical reactions and stress monitoring. From fluid chemistry and X-ray computed tomography, we found that the dissolution of disseminated cements and the precipitation of iron-rich clays did not significantly affect the permeability and geomechanical properties. Minor changes in mechanical properties from Brazilian and creep tests indicated that the matrix structure was well-supported by early diagenetic quartz overgrowth cement and the reservoir’s compaction history at deep burial depths. However, one sample experienced a dissolution of poikilotopic calcite, leading to a permeability increase and significant tensile strength degradation due to pore opening, which overcame the effect of the early diagenetic cements. We concluded that the Morrow B sandstone reservoir is robust for CO2 injection. Most importantly, cement timing, the abundance and texture of reactive minerals, and the reservoir’s burial history are critical in predicting reservoir robustness and storage capacity for CO2 injection.

Wu, Zhidi (ORCID:0000000338869492)↗

DOE OSTI2022

Scaffolding matrix with internal nanoparticles

A battery electrode composition is provided comprising composite particles, with each composite particle comprising active material and a scaffolding matrix. The active material is provided to store and release ions during battery operation. For certain active materials of interest, the storing and releasing of the ions causes a substantial change in volume of the active material. The scaffolding matrix is provided as a porous, electrically-conductive scaffolding matrix within which the active material is disposed. In this way, the scaffolding matrix structurally supports the active material, electrically interconnects the active material, and accommodates the changes in volume of the active material.

Yushin, Gleb↗

DOE OSTI2022

Scaffolding matrix with internal nanoparticles

25 ENERGY STORAGE↗

DOE OSTI2024

Scaffolding matrix with internal nanoparticles

Yushin, Gleb↗

DOE OSTI2014

Mueller matrix ellipsometric detection of profile asymmetry in nanoimprinted grating structures

Mueller matrix ellipsometry (MME) is applied to detect foot-like asymmetry encountered in nanoimprint lithography (NIL) processes. We present both theoretical and experimental results which show that MME has good sensitivity to both the magnitude and direction of asymmetric profiles. The physics behind the use of MME for asymmetry detection is the breaking of electromagnetic reciprocity theorem for the zeroth-order diffraction of asymmetric gratings. We demonstrate that accurate characterization of asymmetric nanoimprinted gratings can be achieved by performing MME measurements in a conical mounting with the plane of incidence parallel to grating lines and meanwhile incorporating depolarization effects into the optical model. The comparison of MME-extracted asymmetric profile with the measurement by cross-sectional scanning electron microscopy also reveals the strong potential of this technique for in-line monitoring NIL processes, where symmetric structures are desired.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

Matrix Metalloproteinase-10/TIMP-2 Structure and Analyses Define Conserved Core Interactions and Diverse Exosite Interactions in MMP/TIMP Complexes

N/A

36 MATERIALS SCIENCE↗

DOE OSTI2024

Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs

In recent years, a new kind of accelerated hardware has gained popularity in the artificial intelligence (AI) community which enables extremely high-performance tensor contractions in reduced precision for deep neural network calculations. In this article, we exploit Nvidia Tensor cores, a prototypical example of such AI-hardware, to develop a mixed precision approach for computing a dense matrix factorization of the inverse overlap matrix in electronic structure theory, S –1 . This factorization of S –1 , written as ZZT = S –1 , is used to transform the general matrix eigenvalue problem into a standard matrix eigenvalue problem. Here we present a mixed precision iterative refinement algorithm where Z is given recursively using matrix–matrix multiplications and can be computed with high performance on Tensor cores. To understand the performance and accuracy of Tensor cores, comparisons are made to GPU-only implementations in single and double precision. Additionally, we propose a nonparametric stopping criteria which is robust in the face of lower precision floating point operations. The algorithm is particularly useful when we have a good initial guess to Z, for example, from previous time steps in quantum-mechanical molecular dynamics simulations or from a previous iteration in a geometry optimization.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Structure of Cu/Ni Nanowires Obtained by Matrix Synthesis

The structure of layered Cu/Ni nanowires obtained by template synthesis in 100-nm channels of track membranes has been investigated by transmission and scanning electron microscopy. The phase composition and main structural features of individual nanowires are determined. It is shown that nanowires consist of alternating Ni (Fm3m) and Cu (Fm3m) layers with grains up to 100 nm in size. It is found that nanowires contain also copper oxide crystallites up to 20 nm in size. The elemental composition of individual layers and their mutual arrangement are determined.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Structural and magnetic properties of the nanocomposite materials based on a mesoporous silicon dioxide matrix

The structural and magnetic properties of the mesoporous systems based on silicon dioxide with a regular hexagonal arrangement of pores several microns in length and several nanometers in diameter, which are filled with iron compound nanofilaments in various chemical states, are studied in detail. The studies are performed using the following mutually complementary methods: transmission electron microscopy, SQUID magnetometry, electron spin resonance, Mössbauer spectroscopy, polarized neutron small-angle diffraction, and synchrotron radiation diffraction. It is shown that the iron nanoparticles in pores are mainly in the γ phase of Fe{sub 2}O{sub 3} with a small addition of the α phase and atomic iron clusters. The effective magnetic field acting on a nanofilament from other nanofilaments is 11 mT and has a dipole nature, the ferromagnetic–paramagnetic transition temperature is in the range 76–94 K depending on the annealing temperature of the samples, and the temperature that corresponds to the change in the magnetic state of the iron oxide nanofilaments is T ≈ 50–60 K at H = 0 and T ≈ 80 K at H = 300 mT. It is also shown that the magnetization reversal of an array of nanofilaments is caused by the magnetostatic interaction between nanofilaments at the fields that are lower than the saturation field.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2014

Modulation of Active Site Electronic Structure by the Protein Matrix to Control [NiFe] Hydrogenase Reactivity

Control of the reactivity of the nickel center of the [NiFe] hydrogenase and other metalloproteins commonly involves outer coordination sphere ligands that act to modify the geometry and physical properties of the active site metal centers. We carried out a combined set of classical molecular dynamics and quantum/classical mechanics calculations to provide quantitative estimates of how dynamic fluctuations of the active site within the protein matrix modulate the electronic structure at the catalytic center. Specifically we focused on the dynamics of the inner and outer coordination spheres of the cysteinate-bound Ni–Fe cluster in the catalytically active Ni-C state. There are correlated movements of the cysteinate ligands and the surrounding hydrogen-bonding network, which modulate the electron affinity at the active site and the proton affinity of a terminal cysteinate. On the basis of these findings, we hypothesize a coupling between protein dynamics and electron and proton transfer reactions critical to dihydrogen production.

[NiFe] hydrogenase↗

DOE OSTI2014

t matrix of metallic wire structures

To study the electromagnetic resonance and scattering properties of complex structures of which metallic wire structures are constituents within multiple scattering theory, the t matrix of individual structures is needed. We have recently developed a rigorous and numerically efficient equivalent circuit theory in which retardation effects are taken into account for metallic wire structures. Here, we show how the t matrix can be calculated analytically within this theory. We illustrate our method with the example of split ring resonators. The density of states and cross sections for scattering and absorption are calculated, which are shown to be remarkably enhanced at resonant frequencies. The t matrix serves as the basic building block to evaluate the interaction of wire structures within the framework of multiple scattering theory. This will open the door to efficient design and optimization of assembly of wire structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Study on the I–V characteristics of quantum well/dot embedded GaAs/AlGaAs structures - A transfer matrix method

The tunneling current has been calculated by a derived analytical expression for the transmission coefficient (TC) based on the theory of coherent resonant tunneling within the effective mass approximation by applying a constant field in quantum well/dot dopped RTD. For the bare Al{sub 0.35}Ga{sub 0.65}As double barrier structure, the peak to valley ratio is 0.165 from the I-V characteristics. Notably, the presence of In{sub 0.21}Ga{sub 0.79}As well in the emitter region significantly enhances the peak to valley ratio to 0.970. Interestingly, the presence of both the In{sub 0.21}Ga{sub 0.79}As well and InAs QD, increases the peak to valley ratio further to 0.978, because of the greater probability for the energy levels in these regions to be in resonance. On comparing experimental results, which show the similar trend for the current-voltage characteristics, imply that the quantum structure considered here is suitable for device applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗