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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Solution processed high aspect ratio ultra-long vertically well-aligned ZnO nano scintillators for potential X-ray imaging applications

We report the photon (PL), electron (CL) and X-ray (XEL) induced luminescence characteristics of high aspect ratio ultra-long (~ 50 µm) ZnO nanorods (NRs) and discuss the potential for fast X-ray detection based on the consistent and efficient visible emission (~ 580 nm) from ZnO NRs. Nanostructured ZnO scintillators were rearranged to form a vertically well-aligned NR design in order to help light absorption and coupling resulting in luminescent and fast scintillation properties. The design of the nanorod array combines the key advantages of a low-cost growth technique together with environmentally friendly and widely available materials. A low temperature hydrothermal method was adopted to grow ZnO NRs in one cycle growth and their structural, optical and X-ray scintillation properties were investigated. The relatively short (~ 10 µm) ZnO NRs emitting in the near-band-edge region were found to be almost insensitive to X-rays. On the other hand, the higher XEL response of long ZnO NRs, which is a key parameter for evaluation of materials to be used as scintillators for high quality X-ray detection and imaging, along with a decay time response in the order of ns confirmed promising scintillation properties for fast and high-resolution X-ray detector applications.

47 OTHER INSTRUMENTATION↗

NASA NTRS1994

An efficient three-dimensional Poisson solver for SIMD high-performance-computing architectures

We present an algorithm that solves the three-dimensional Poisson equation on a cylindrical grid. The technique uses a finite-difference scheme with operator splitting. This splitting maps the banded structure of the operator matrix into a two-dimensional set of tridiagonal matrices, which are then solved in parallel. Our algorithm couples FFT techniques with the well-known ADI (Alternating Direction Implicit) method for solving Elliptic PDE's, and the implementation is extremely well suited for a massively parallel environment like the SIMD architecture of the MasPar MP-1. Due to the highly recursive nature of our problem, we believe that our method is highly efficient, as it avoids excessive interprocessor communication.

Cohl, H.↗

NASA NTRS2016

A Cryogenic Waveguide Mount for Microstrip Circuit and Material Characterization

A waveguide split-block fixture used in the characterization of thin-film superconducting planar circuitry at millimeter wavelengths is described in detail. The test fixture is realized from a pair of mode converters, which transition from rectangular-waveguide to on-chip microstrip-line signal propagation via a stepped ridge-guide impedance transformer. The observed performance of the W-band package at 4.2K has a maximum in-band transmission ripple of 2dB between 1.53 and 1.89 times the waveguide cutoff frequency. This metrology approach enables the characterization of superconducting microstrip test structures as a function temperature and frequency. The limitations of the method are discussed and representative data for superconducting Nb and NbTiN thin film microstrip resonators on single-crystal Si dielectric substrates are presented.

U-yen, Kongpop↗

NASA NTRS2016

A Cryogenic Waveguide Mount for Microstrip Circuit and Material Characterization

U-yen, Kongpop↗

DOE OSTI2025

Data-Driven Mapping of the Cesium Cadmium Bromide Phase Space Utilizing a Soft-Chemistry Approach

Soft-chemistry techniques provide a versatile approach to synthesizing inorganic materials under mild conditions, enabling access to compositions and structures that are challenging to achieve through traditional thermodynamically driven solid-state methods. However, these solution-based routes often result in phase competition, requiring precise control over reaction conditions to achieve selective product formation. While one-variable-at-a-time (OVAT) approaches have traditionally been used for phase selection, data-driven strategies are emerging as more efficient methods for navigating complex synthetic spaces. Ternary metal halides, such as cesium cadmium bromides (Cs–Cd–Br), are of growing interest due to their potential in wide and ultrawide band gap applications. Unlike the well-studied cesium lead halide phases, the compositional diversity and solution-based synthesis of ternary Cs–Cd–Br phases remain largely unexplored. This study systematically investigates the synthetic phase space of the Cs–Cd–Br system by constructing a data-driven phase map. Using a common set of precursors and a standardized experimental procedure, we successfully synthesize all four known Cs–Cd–Br phases—CsCdBr 3 , Cs 2 CdBr 4 , Cs 3 CdBr 5 , and Cs 7 Cd 3 Br 13 —each exhibiting distinct structures, morphologies, and optical properties. Our findings highlight the potential of soft-chemistry methods for expanding the library of ternary metal halides and provide key insights into the thermodynamic and kinetic factors governing phase formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2006

High-Resolution Inspection of the Space Shuttle External Tank Spray-on-Foam Insulation (SOFI) using Focused Millimeter Waves at D-Band (150 GHz)

Space Shuttle Columbia's catastrophic failure has been attributed to a piece of spray-on-foam insulation (SOFI) that was dislodged from the external tank and struck the leading edge of the left wing. A piece of SOFI was also dislodged in the recent Space Shuttle Discovery's flight. Clearly, there is a great and urgent need to inspect the external tank SOFI and other similar insulating structures (including the acreage heat tile) in a reliable and robust fashion. In the past two years, millimeter wave nondestructive testing methods, using both real and synthetic focusing techniques, have shown great potential for this purpose. Recently obtained real-focused images from several different and complex SOFI panels have demonstrated the utility of these methods as being viable, robust, repeatable, simple, portable and effective. D-band frequency range which covers a frequency spectrum of 110- 170 GHz is well-suited for this purpose given the nature of the foam which causes significant scattering at much higher frequencies. This paper presents the results of using continuous-wave (CW) reflectometry conducted on several typical and complex SOFI panes at 150 GHz.

Kharkovsky, S.↗

NASA NTRS1987

Modeling of joints for the dynamic analysis of truss structures

An experimentally-based method for determining the stiffness and damping of truss joints is described. The analytical models use springs and both viscous and friction dampers to simulate joint load-deflection behavior. A least-squares algorithm is developed to identify the stiffness and damping coefficients of the analytical joint models from test data. The effects of nonlinear joint stiffness such as joint dead band are also studied. Equations for predicting the sensitivity of beam deformations to changes in joint stiffness are derived and used to show the level of joint stiffness required for nearly rigid joint behavior. Finally, the global frequency sensitivity of a truss structure to random perturbations in joint stiffness is discussed.

Belvin, W. Keith↗

NASA NTRS1991

Tunneling calculations for GaAs-Al(x)Ga(1-x) as graded band-gap sawtooth superlattices

Quantum mechanical tunneling calculations for sawtooth (linearly graded band-gap) and step-barrier AlGaAs superlattices were performed by means of a transfer matrix method, within the effective mass approximation. The transmission coefficient and tunneling current versus applied voltage were computed for several representative structures. Particular consideration was given to effective mass variations. The tunneling properties of step and sawtooth superlattices show some qualitative similarities. Both structures exhibit resonant tunneling, however, because they deform differently under applied fields, the J-V curves differ.

Forrest, Kathrine A.↗

NASA NTRS1978

Ku-band signal design study

Analytical tools, methods and techniques for assessing the design and performance of the space shuttle orbiter data processing system (DPS) are provided. The computer data processing network is evaluated in the key areas of queueing behavior synchronization and network reliability. The structure of the data processing network is described as well as the system operation principles and the network configuration. The characteristics of the computer systems are indicated. System reliability measures are defined and studied. System and network invulnerability measures are computed. Communication path and network failure analysis techniques are included.

Rubin, I.↗

DOE OSTI2025

Diffusion behavior of lanthanide fission products in bcc Fe cladding: A first-principles study

Fuel-cladding chemical interaction poses significant challenges in nuclear reactors, where fission products generated from nuclear fuel interact with Fe-based cladding materials, potentially compromising their structural integrity. This study investigates the diffusion behavior of lanthanide fission products, Lanthanum (La), Cerium (Ce), Praseodymium (Pr), and Neodymium (Nd), within body-centered cubic (bcc) Fe cladding using the density functional theory, nudged elastic band method, and self-consistent mean field theory. Our results reveal significant vacancy binding energies, particularly with the 1st and 2nd nearest neighbors, which diminish beyond the 5th nearest neighbor, with La exhibiting the strongest binding affinity, followed by Nd, Ce, and Pr. The nudged elastic band calculations indicate significant high barriers for the dissociation of 1st nearest neighbor vacancy-solute pairs for all fission products. The tracer diffusion coefficients of these fission products were derived in an Arrhenius form, with a magnetic correction that accounts for the high-temperature paramagnetic state. The significant trapping effect of vacancies caused by a very dilute concentration of fission products reduces vacancy mobility, potentially leading to modifications in point defect supersaturation, void nucleation, and swelling under irradiation. These represent critical challenges for irradiated cladding materials. The tracer diffusion coefficients indicate that Nd diffuses the fastest, followed by La, Ce, and Pr. Furthermore, this study provides essential insights for understanding fission product transport in cladding materials and informs future design strategies to mitigate fuel-cladding chemical interaction, ultimately enhancing nuclear reactor safety and performance.

Diffusion↗

NASA NTRS2003

Results From Cs Activated GaN Photocathode Development for MCP Detector Systems at GSFC

We describe the development of high quantum efficiency W photocathodes for use in large area two dimensional microchannel plate based detector arrays to enable new W space astronomy missions. Future W missions will require improvements in detector sensitivity, which has the most leverage for cost-effective improvements in overall telescope/instrument sensitivity. We use new materials such as p-doped GaN, AIGaN, ZnMgO, Sic and diamond. We have currently obtained QE values > 40 % at 185 nm with Cesiated GaN, and hope to demonstrate higher values in the future. By using controlled internal fields and nano-structuring of the surfaces, we plan to provide field emission assistance for photoelectrons while maintaining their energy distinction from dark noise electrons. We will transfer these methods from GaN to ZnMgO, a new family of wide band-gap materials more compatible with microchannel plates. We also are exploring technical parameters such as doping profiles, internal and external field strengths, angle of incidence, field emission assistance, surface preparation, etc.

Norton, Tim↗

DOE OSTI2026

Investigating the electrical transport properties and electronic structure of Zr 2 ⁢CuSb 3

The checkerboard lattice has been proposed to host topological flat bands as a result of destructive interference among its various electronic hopping terms. However, it has proven challenging to realize experimentally due to the difficulty of isolating this structure from any significant out-of-plane bonding while maintaining structural integrity. Here, in this study, single crystals of Zr 2 CuSb 3 , a potential candidate for the checkerboard lattice, were synthesized using the solution (self-flux) method, and their structure was confirmed via x-ray diffraction. Electrical-transport measurements indicate metallic behavior with electron-dominated carriers. Angle-resolved photoemission spectroscopy reveals multiple electron pockets and significant k z broadening due to its large c axis and low dispersion features in k z . Density-functional theory (DFT) calculations further disentangle the contributions from each high-symmetry plane, providing a comprehensive characterization of electronic behavior. The DFT calculations were then used to determine the orbital contributions of the bands and detect the out-of-plane bonding which prevented the flat bands from forming.

Downey, Eoghan [Univ. of Michigan, Ann Arbor, MI (↗

DOE OSTI2024

ARPES detection of superconducting gap sign in unconventional superconductors

The superconducting gap symmetry is crucial in understanding the underlying superconductivity mechanism. Angle-resolved photoemission spectroscopy (ARPES) has played a key role in determining the gap symmetry in unconventional superconductors. However, it has been considered so far that ARPES can only measure the magnitude of the superconducting gap but not its phase; the phase has to be detected by other phase-sensitive techniques. Here we propose a method to directly detect the superconducting gap sign by ARPES. This method is successfully validated in a cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with a well-known d-wave gap symmetry. When two bands have a strong interband interaction, the resulted electronic structures in the superconducting state are sensitive to the relative gap sign between the two bands. Our present work provides an approach to detect the gap sign and can be applied to various superconductors, particularly those with multiple orbitals like the iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1990

General purpose program to generate compatibility matrix for the integrated force method

An efficient procedure for obtaining the compatibility conditions of finite-element models involves the generation of both field and compatibility conditions from deformation-displacement relations, using (1) the compatibility bandwidth, and (2) the node-determinacy concept. A computer program thus structured will generate sparse and banded compatibility conditions for a structure that is idealized by the finite elements.

Nagabhusanam, J.↗

DOE OSTI2025

Surface preparation method for investigating the three-dimensional electronic structure of perovskite nickelates

The investigation of the electronic structures on perovskite oxides using surface-sensitive spectroscopy techniques is often hindered by their “uncleavable” nature, typically requiring expensive and complex in situ experimental setups that integrate the capabilities of sample synthesis and spectroscopy measurement under ultrahigh vacuum condition. Here, we address this challenge by developing an ozone-annealing process that yields atomically flat surfaces on perovskite oxide thin films, making them suitable for high-resolution angle-resolved photoemission spectroscopy measurements. Using this method, we present a three-dimensional electronic structure study of Nd 1−𝑥 ⁢Sr 𝑥 ⁢NiO 3 (𝑥=0 and 0.175) thin films with unprecedented accuracy. The experimentally determined low-energy fermiology exhibits quantitative agreements with two-band tight-binding simulations, which is further validated by first-principles calculations considering the material's actual crystal structure. This work provides an accessible approach for ex situ ARPES measurements on perovskite oxides and other strongly correlated oxides, including the recently discovered high-𝑇 c nickelates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1994

The Fraternal Twins of Quartet O4(+)

Eleven stationary geometries of quartet O4(+) have been studied by ab initio methods. The geometries were optimized at the Complete Active Space Self-Consistent Field (CASSCF) level of theory and the energies were calculated by the multiconfigurational second order pertubation method (CASPT2), using Double-Zeta Plus polarization (DZP), Triple-Zeta Plus Double Polarization (TZ2P), average Atomic Natural Orbital (ANO) (5s4p2d) and average ANO (6s5p3d2f) basis sets. The rectangular and trans-planar structures are found to be the most stable, with an energy barrier to conversion between the two at the threshold of dissociation. Both have a delocalized hole and are stable relative to separated 02 and 02(+)by 11.0 and 11.5 kcal/mol for the rectangular and the 2 trans-planar structure, respectively, compared with the experimentally deduced energy in the range of 9.2 to 10.8 kcal/mol. The adiabatic ionization potentials of 04 and 02 are computed to be 11.67 and 12.21 eV, while experimental values are 11.66 and 12.07 eV, respectively. The vibrational frequencies have been computed for all degrees of freedom at the CASSCF level of theory. Symmetry breaking is found to be a particular problem in the computation of the antisymmetric stretch frequency for the delocalized structures at the CASSCF level of theory. Attempts to rectify these problems using the restricted active space self-consistent field (RASSCF) method leads to additional difficulties, but further analysis yields insight into the symmetry breaking and problems with earlier calculations. Finally, a nonorthogonal configuration interaction (CI) calculation based on the interaction of localized CASSCF wave functions using the Complete Active Space State Interation (CASSI) method leads to a balanced treatment of the antisymmetric stretch which is free from symmetry breaking. The study explains the four most prominent absorption frequencies observed in the partially unassigned IR spectrum of O4(+) isolated in solid neon as the antisymmetric OO stretch, and the combination band of the symmetric and antisymmetric 00 stretch of both the rectangular and trans-planar structures.

Lindh, Roland↗

DOE OSTI2024

The Electron Thermal Conductivity of Pu and Zr Substituted Gamma-Uranium

Uranium alloys are attractive recycled nuclear fuels because of their high thermal conductivity (k) and fissile density; however, the effects of alloying elements on k remain unclear. Here, the electron thermal conductivity (k_e) of U-Pu-Zr compositions are calculated using density functional theory. The electronic structure is evaluated to understand the effects of plutonium (Pu) and zirconium (Zr) substitution on the k_e of ?-U. Alloys of up to 37.5 at. % Pu and 37.5 at. % Zr are examined. Two methods are applied to calculate k_e; we find that the accuracy of each method depends on the electronic and mass similarities between the solute and solvent atoms. Specifically, when the solute atom is similar in electronic structure and mass, the method that applies the electron relaxation time of ?-U is best, while if the elements are dissimilar, a mixed method that mixes several parameters associated with k_e from each element in the alloy is best. The introduction of all alloying elements decreases k_e; however, in binary compounds, Pu and Zr have different effects. Pu generally flattens the electronic bands but compensates for this deleterious effect by increasing electron density near the Fermi level. Zr flattens the electronic bands more severely without adding electron density near the Fermi level. Therefore, Zr decreases the k_e more than Pu in binary compounds. In ternary compounds, the difference between Pu and Zr is minimal due to the phononic change from the large mass change of Zr substitution, even at 12.5 at. %. Thus, we predict that higher loadings of Pu, and potentially other actinides, can be added to U-Pu-Zr compositions for faster recycling of spent fuel with without sacrificing k. We also note that these k_e calculation methods can be applied to non-fuel alloys that require k_e predictions, such as cladding, heat exchanger, and structural materials.

36 MATERIALS SCIENCE↗

NASA NTRS2016

An Objective Classification of Saturn Cloud Features from Cassini ISS Images

A k -means clustering algorithm is applied to Cassini Imaging Science Subsystem continuum and methane band images of Saturn's northern hemisphere to objectively classify regional albedo features and aid in their dynamical interpretation. The procedure is based on a technique applied previously to visible- infrared images of Earth. It provides a new perspective on giant planet cloud morphology and its relationship to the dynamics and a meteorological context for the analysis of other types of simultaneous Saturn observations. The method identifies 6 clusters that exhibit distinct morphology, vertical structure, and preferred latitudes of occurrence. These correspond to areas dominated by deep convective cells; low contrast areas, some including thinner and thicker clouds possibly associated with baroclinic instability; regions with possible isolated thin cirrus clouds; darker areas due to thinner low level clouds or clearer skies due to downwelling, or due to absorbing particles; and fields of relatively shallow cumulus clouds. The spatial associations among these cloud types suggest that dynamically, there are three distinct types of latitude bands on Saturn: deep convectively disturbed latitudes in cyclonic shear regions poleward of the eastward jets; convectively suppressed regions near and surrounding the westward jets; and baro-clinically unstable latitudes near eastward jet cores and in the anti-cyclonic regions equatorward of them. These are roughly analogous to some of the features of Earth's tropics, subtropics, and midlatitudes, respectively. This classification may be more useful for dynamics purposes than the traditional belt-zone partitioning. Temporal variations of feature contrast and cluster occurrence suggest that the upper tropospheric haze in the northern hemisphere may have thickened by 2014. The results suggest that routine use of clustering may be a worthwhile complement to many different types of planetary atmospheric data analysis.

atmosphere dynamics↗