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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Mode I fracture testing fixture

An apparatus and method for preparing Double Cantilever Beam (DCB) specimens are disclosed as an apparatus and method for conducting Mode I fracture resistance testing using the DCB specimens. In a first embodiment, a drill jig is used to locate the DCB specimen and guide a drilling process during creation of at least one through-hole in the DCB specimen. The drilling process may employ a traditional drill and drill bit, a laser drill, or a water jet. In another embodiment, a set of rotating pin blocks, each with a full-round or a half-round specimen pin at one end and a hanger full-round pin at the other end, engage the DCB specimen and facilitate the internal application of a fracturing load to the DCB specimen for the Mode I fracture resistance test. The present invention may significantly reduce the time and materials needed to prepare and test a DCB specimen.

Briggs, Timothy↗
DOE OSTI2026

New correlated numerical methods for attosecond molecular single and double ionization

This project resulted in the development of ASTRA, a new molecular ionization code capable of describing single and double ionization processes in polyatomic molecules with correlated electrons and time-dependent fields. Key achievements include: (i) the development of the PRISM hybrid-integral library enabling core-ionization and high-angular-momentum convergence; (ii) implementation of time-dependent Schrödinger equation solvers for pump–probe spectroscopies; (iii) validation against experimental and theoretical benchmarks for atoms and molecules; and (iv) extension to two-photon double ionization using the finite-pulse virtual-sequential model. These developments establish ASTRA as a versatile platform for attosecond molecular dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1971

Statistical studies in stellar rotation 2: A method of analyzing rotational coupling in double stars and an introduction to its applications

The correlation between the equatorial velocities of the components of double stars is studied from a statistical standpoint. A theory of rotational correlation is developed and discussed with regard to its applicability to existing observations. The theory is then applied to a sample of visual binaries which are the least studied for rotational coupling. Consideration of eclipsing systems and spectroscopic binaries is limited to show how the degrees of freedom in the spin parallelism problem can be reduced. The analysis lends support to the existence of synchronism in closely spaced binaries.

Bernacca, P. L.↗
NASA NTRS1984

Method of and apparatus for double-exposure holographic interferometry

Double-exposure holographic interferometry is carried out using first and second lasers responsive to respective applied firing signals for producing respective pulsed output beams. An optical system is provided oriented such that the output beams of the lasers produce coinciding scene and reference beams. An initiator circuit generates and applies a firing signal to the first laser; and a timer/firing device responsive to the generation of a firing signal by the initiator circuit, generates and applies a firing signal to the second laser a predetermined period of time later.

Witherow, W. K.↗
DOE OSTI2020

Double-layer graphene optical modulators and methods of fabrication thereof

This disclosure provides systems, methods, and apparatus related to optical modulators. In one aspect, a device includes a substrate, a first electrically insulating material disposed over the substrate, a first graphene layer and a second graphene layer disposed in the first electrically insulating material and being separated by the first electrically insulating material, and a waveguide disposed on the first electrically insulating material. At least a portion of the second graphene layer overlays at least a portion of the first graphene layer. The waveguide overlays both the first graphene layer and the second graphene layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1990

Theoretical study of polarizabilities and hyperpolarizabilities of Ne, HF, F(-), and OH(-)

Theoretical calculations are presented for the polarizability parameters through the fourth power of an applied static electric field for Ne and HF and through the second power in the field for the negative ions F(-) and OH(-). Large Gaussian basis sets are employed and electron correlation is incorporated using the modified coupled pair functional (MCPF) method and for Ne and HF using coupled-cluster single- and double-excitation (CCSD) methods with two approaches of including the effect of triple excitations. The MCPF method is found to perform well in relation to the more rigorous CCSD method.

Chong, Delano P.↗
DOE OSTI2024

Novel pore size-controlled, susceptibility matched, 3D-printed MRI phantoms

We report the design concept and fabrication of MRI phantoms, containing blocks of aligned microcapillaires that can be stacked into larger arrays to construct diameter distribution phantoms or fractured, to create a “powder-averaged” emulsion of randomly oriented blocks for vetting or calibrating advanced MRI methods, that is, diffusion tensor imaging, AxCaliber MRI, MAP-MRI, and multiple pulsed field gradient or double diffusion-encoded microstructure imaging methods. The goal was to create a susceptibility-matched microscopically anisotropic but macroscopically isotropic phantom with a ground truth diameter that could be used to vet advanced diffusion methods for diameter determination in fibrous tissues. Two-photon polymerization, a novel three-dimensional printing method is used to fabricate blocks of capillaries. Double diffusion encoding methods were employed and analyzed to estimate the expected MRI diameter. Susceptibility-matched microcapillary blocks or modules that can be assembled into large-scale MRI phantoms have been fabricated and measured using advanced diffusion methods, resulting in microscopic anisotropy and random orientation. This phantom can vet and calibrate various advanced MRI methods and multiple pulsed field gradient or diffusion-encoded microstructure imaging methods. We demonstrated that two double diffusion encoding methods underestimated the ground truth diameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

Pre-coding method and apparatus for multiple source or time-shifted single source data and corresponding inverse post-decoding method and apparatus

A pre-coding method and device for improving data compression performance by removing correlation between a first original data set and a second original data set, each having M members, respectively. The pre-coding method produces a compression-efficiency-enhancing double-difference data set. The method and device produce a double-difference data set, i.e., an adjacent-delta calculation performed on a cross-delta data set or a cross-delta calculation performed on two adjacent-delta data sets, from either one of (1) two adjacent spectral bands coming from two discrete sources, respectively, or (2) two time-shifted data sets coming from a single source. The resulting double-difference data set is then coded using either a distortionless data encoding scheme (entropy encoding) or a lossy data compression scheme. Also, a post-decoding method and device for recovering a second original data set having been represented by such a double-difference data set.

Yeh, Pen-Shu↗
NASA NTRS1997

Pre-coding method and apparatus for multiple source or time-shifted single source data and corresponding inverse post-decoding method and apparatus

A pre-coding method and device for improving data compression performance by removing correlation between a first original data set and a second original data set, each having M members, respectively. The pre-coding method produces a compression-efficiency-enhancing double-difference data set. The method and device produce a double-difference data set, i.e., an adjacent-delta calculation performed on a cross-delta data set or a cross-delta calculation performed on two adjacent-delta data sets, from either one of (1) two adjacent spectral bands coming from two discrete sources, respectively, or (2) two time-shifted data sets coming from a single source. The resulting double-difference data set is then coded using either a distortionless data encoding scheme (entropy encoding) or a lossy data compression scheme. Also, a post-decoding method and device for recovering a second original data set having been represented by such a double-difference data set.

Yeh, Pen-Shu↗
DOE OSTI2024

Performance Improvements of the Griffin Solvers in FY24

The Griffin code is a MOOSE-based reactor physics application jointly developed by Idaho National Laboratory and Argonne National Laboratory under the Department of Energy Office of Nuclear Energy Nuclear Energy Advanced Modeling and Simulation Program. This fiscal year, we have made significant efforts to improve the performance of transport solver options and cross-section generation for the efficient use of Griffin in advanced reactor applications. For the HFEM-PN solver, the residual evaluations of HFEM kernels were optimized by utilizing the pre- computed averaged cross sections for individual elements. Numerical integration involving the evaluation of basis functions at quadrature points was bypassed by facilitating precomputed element mass matrices for response matrices. Red-black iterations were improved by introducing a new generalized minimum residual based solver. The memory usage of response matrix storage was significantly reduced by applying basis function rotations on interfaces and calculating volumetric odd-parity moments on the fly. Additionally, the adjoint flux and transient calculation capabilities of the HFEM-PN solver were successfully implemented and verified using the TWIGL benchmark problem. For the DFEM-SN solver, memory footprint and computation time were significantly reduced by not treating angular flux vectors as the MOOSE nonlinear system vectors. Specifically for IQS, scalar adjoint weighting was introduced to further eliminate angular adjoint flux storage in the MOOSE auxiliary system. It was demonstrated through the three-dimensional Advanced Burner Test Reactor core problem that the memory usage for transient calculations with the IQS method was reduced by over 7.5× compared to before the optimizations. For the self-shielding application programming interface, a new double-heterogeneity treatment method, named the Bell Function-Based Analytic Two-Region Slowing Down Method, was developed to efficiently flux-volume homogenize TRISO particles with the matrix. Additionally, optimizations were made to hyper- fine group (HFG) slowing down calculations by pretabulating collision probability coefficients and grouping isotopes, significantly reducing the computational time for calculating scattering sources per HFG. Lastly, the pin power reconstruction module was extended to account for temporal behavior in a microreactor analysis problem, specifically for a control drum transient. Verification tests for each of these improvements demonstrated significant performance enhancements and memory reduction.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1995

A Coupled-Cluster Study of the Molecular Structure, Vibrational Spectrum, and Heats of Formation of XONO2 (X=H, F, Cl)

The equilibrium structures, harmonic vibrational frequencies, dipole moments, and IR intensities of nitric acid, fluorine nitrate, and chlorine nitrate have been investigated by using the singles and doubles coupled cluster method that also includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). A standard triple-zeta double-polarized basis set was utilized. The equilibrium geometries and vibrational spectra of HONO2 and ClONO2 are shown to be in excellent agreement with the available experimental data. The ab initio vibrational spectrum of FONO2 is also shown to be in excellent agreement with experiment. Unlike the FOOF and FON molecules, but similar to the cis- and trans-FONO molecules, FONO2 is shown to possess normal bond distances. The bonding in FONO2 is shown to be more similar to that in ClONO2 than that in HONO2, although there are still significant differences, especially in the partial atomic charges as deduced from Mulliken populations. This causes FONO2 to possess almost no dipole moment, which is very different to both HONO2 and ClONO2. By using large atomic natural orbital basis sets, CCSD(T) energies are computed for four isodesmic reactions in order to determine an accurate heat of formation for FONO2. Our best estimate for DELTA H(raised circle) (sub f,298) is 3.1 plus or minus 2.0 kcal/mol, indicating that the F-ONO2 bond energy is 31.3 kcal/mol.

Lee, Timothy J.↗
NASA NTRS1996

Multi-Particle Interferometry Based on Double Entangled States

A method for producing a 4-photon entangled state based on the use of two independent pair sources is discussed. Of particular interest is that each of the pair sources produces a two-photon state which is simultaneously entangled in both polarization and space-time variables. Performing certain measurements which exploit this double entanglement provides an opportunity for verifying the recent demonstration of nonlocality by Greenberger, Horne, and Zeilinger.

Pittman, Todd B.↗
NASA NTRS2002

Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.

Dateo, Christopher E.↗
NASA NTRS1990

The environments of double radiogalaxies

Discussed here are simple methods by which the densities and pressures of the gas confining double radiogalaxies can be estimated from optical and x ray data. By applying these methods to an unbiased sample of nearby (z less than 0.5) double radiogalaxies, the author quantifies the empirical relation between the external confining pressure and the internal pressure of the lobes as inferred from the minimum energy argument. This relation is explained by an analytic model in which the lobes are statically confined by ambient material pre-heated in the bow-shock of the advancing radiosource. Such a model allows one to estimate source expansion speeds from a combination of radio and environmental data, and estimate properties of the environment from radio data alone, providing expansion speeds can be estimated from multifrequency observations.

Rawlings, Steve↗
NASA NTRS1994

Interlaminar shear test method development for long term durability testing of composites

The high speed civil transport is a commercial aircraft that is expected to carry 300 passengers at Mach 2.4 over a range of more than 6000 nautical miles. With the existing commercial structural material technology (i.e., aluminum) the performance characteristics of the high speed civil transport would not be realized. Therefore there has been a concerted effort in the development of light weight materials capable of withstanding elevated temperatures for long duration. Thermoplastic composite materials are such candidate materials and the understanding of how these materials perform over the long term under harsh environments is essential to safe and effective design. The matrix dominated properties of thermoplastic composites are most affected by both time and temperature. There is currently an effort to perform short term testing to predict long term behavior of in-plane mechanical properties E22 (transverse modulus of elasticity) and G12 (shear modulus). Out-of-plane properties such as E33, G13, and G23 are inherently more difficult to characterize. This is especially true for the out-of-plane shear modulus G23 and hence there is no existing acceptable standard test method. Since G23 is the most matrix dominated property, it is essential that a test method be developed. A shear test methodology is developed to do just that. The test method, called the double notched specimen, along with the previously developed shear gage was tested at room temperature. Mechanical testing confirmed the attributes of the methodology. A finite element parametric study was conducted for specimen optimization. Moire interferometry, a high sensitivity laser optical method, was used for full-field analysis of the specimen. From this work, material parameters will be determined and thus enable the prediction of long term material behavior of laminates subjected to general loading states.

Ifju, Peter G.↗
DOE OSTI2022

Theoretical study of the CO 2 –O 2 van der Waals complex: potential energy surface and applications

A four-dimensional-potential energy surface (4D-PES) of the atmospherically relevant carbon dioxide–oxygen molecule (CO 2 –O 2 ) van der Waals complex is mapped using the ab initio explicitly correlated coupled cluster method with single, double, and perturbative triple excitations (UCCSD(T)-F12b), and extrapolation to the complete basis set (CBS) limit using the cc-pVTZ-F12/cc-pVQZ-F12 bases and the l –3 formula. An analytic representation of the 4D-PES was fitted using the method of interpolating moving least squares (IMLS). These calculations predict that the most stable configuration of CO 2 –O 2 complex corresponds to a planar slipped-parallel structure with a binding energy of V ~ –243 cm –1 . Another isomer is found on the PES, corresponding to a non-planar cross-shaped structure, with V ~ –218 cm –1 . The transition structure connecting the two minima is found at V ~ –211 cm –1 . We also performed comparisons with some CO 2 –X van der Waals complexes. Moreover, we provide a SAPT analysis of this molecular system. Then, we discuss the complexation induced shifts of CO 2 and O 2 . Afterwards, this new 4D-PES is employed to compute the second virial coefficient including temperature dependence. A comparison between quantities obtained in our calculations and those from experiments found close agreement attesting to the high quality of the PES and to the importance of considering a full description of the anisotropic potential for the derivation of thermophysical properties of CO 2 –O 2 mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗