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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Local measurement of bulk thermal diffusivity using photothermal radiometry

Here, an experimental methodology using photothermal radiometry is developed for the accurate measurement of bulk thermal diffusivity of nuclear fuels and materials irradiated to high doses. Under these conditions, nuclear fuels, such as uranium oxide, and moderator materials, such as graphite, become friable, which requires characterization techniques that can accommodate irregularly shaped fragments. Photothermal radiometry, a good candidate for this application, involves locally heating a sample by using a laser and measuring the temperature field by monitoring blackbody radiation. The interaction volume for this study, less than a millimeter, is carefully chosen to sample a statistically significant number of large-scale structural features, such as pores and gas filled bubbles, and is small enough that the sample fragments can be treated as a thermal half-space. The thermal diffusivity standards considered in this study cover a range of thermal diffusivities representative of both fresh and spent nuclear fuels. We also consider a sample having a porous microstructure representative of large-scale structures found in materials irradiated to high doses. Our measurement methodology circumvents complex thermal wave models that address optical diffraction, nonlinear transfer function associated with blackbody radiation, and finite sample size effects. Consequently, the large measurement uncertainty associated with modeling these effects can be avoided. While the emphasis here is on nuclear fuels and materials, this measurement approach is well suited to measure thermal transport in a variety of technologically important materials associated with advanced synthesis techniques. Examples range from small, exotic single crystals grown using hydrothermal growth techniques to additively manufactured components having complex geometries.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructural characterization of Mg-based bulk metallic glass and nanocomposite

New magnesium-based bulk metallic glasses Mg{sub 60}Cu{sub 30}Y{sub 10} have been prepared by pressure casting. Glassy alloys were successfully annealed to become nanocomposite containing 200 nm crystallites in an amorphous matrix. The microstructure of bulk glassy alloy and nanocomposite obtained during heat treatment was examined by X-ray diffraction and scanning and high-resolution electron microscopy. Metallic glass has been also studied to explain the structural characteristics by the reverse Monte Carlo (RMC) modeling based on the diffraction data. The HRTEM images allow to indicate some medium-range order (MRO) regions about 2–3 nm in size and formation of local atomic clusters. The RMC modeling results confirmed some kinds of short range order (SRO) structures. It was found that the structure of bulk metallic glass formed by the pressure casting is homogeneous. The composite material contained very small particles in the amorphous matrix. Homogeneous glassy alloy had better corrosion resistance than a composite containing nanocrystalline particles in a glassy matrix. - Highlights: • RMC modeling demonstrates some kinds of SRO structures in Mg-based BMGs. • HRTEM indicated MRO regions about 2–3 nm and SRO regions about 0.5 nm in size. • Mg-based glassy alloys were successfully annealed to become nanocomposite material. • Crystalline particles have spherical morphology with an average diameter of 200 nm. • Glassy alloy had higher corrosion resistance than a nanocomposite sample.

36 MATERIALS SCIENCE↗
DOE OSTI2022

FAIR principles for AI models with a practical application for accelerated high energy diffraction microscopy

Abstract A concise and measurable set of FAIR (Findable, Accessible, Interoperable and Reusable) principles for scientific data is transforming the state-of-practice for data management and stewardship, supporting and enabling discovery and innovation. Learning from this initiative, and acknowledging the impact of artificial intelligence (AI) in the practice of science and engineering, we introduce a set of practical, concise, and measurable FAIR principles for AI models. We showcase how to create and share FAIR data and AI models within a unified computational framework combining the following elements: the Advanced Photon Source at Argonne National Laboratory, the Materials Data Facility, the Data and Learning Hub for Science, and funcX, and the Argonne Leadership Computing Facility (ALCF), in particular the ThetaGPU supercomputer and the SambaNova DataScale ® system at the ALCF AI Testbed. We describe how this domain-agnostic computational framework may be harnessed to enable autonomous AI-driven discovery.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Measuring the x-ray resolving power of bent potassium acid phthalate diffraction crystals

This report presents the results from measuring the X-ray resolving power of a curved potassium acid phthalate (KAP(001)) spectrometer crystal using two independent methods. It is part of a continuing effort to measure the fundamental diffraction properties of bent crystals that are used to study various characteristics of high temperature plasmas. Bent crystals like KAP(001) do not usually have the same diffraction properties as corresponding flat crystals. Models that do exist to calculate the effect of bending the crystal on the diffraction properties have simplifying assumptions and their accuracy limits have not been adequately determined. The type of crystals that we measured is being used in a spectrometer on the Z machine at Sandia National Laboratories in Albuquerque, New Mexico. The first technique for measuring the crystal resolving power measures the X-ray spectral line width of the characteristic lines from several metal anodes. The second method uses a diode X-ray source and a double crystal diffractometer arrangement to measure the reflectivity curve of the KAP(001) crystal. The width of that curve is inversely proportional to the crystal resolving power. The measurement results are analyzed and discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1995

Thermal emission from particulate surfaces: A comparison of scattering models with measured spectra

Emissivity spectra of particulate mineral samples are highly dependent on particle size when that size is comparable to the wavelength of light emitted (5-50 micrometers for the midinfrared). Proper geologic interpretation of data from planetary infrared spectrometers will require that these particle size effects be well understood. To address this issue, samples of quartz powders were produced with narrow, well-characterized particle size distributions. Mean particle diameters in these samples ranged from 15 to 227 micrometers. Emission spectra of these powders allow the first detailed comparison of the complex spectral variations with particle size observed in laboratory data with the predictions of radiative transfer models. Four such models are considered here. Hapke's relectance theory (converted to emissivity via Kirchoff's law) is the first model tested. Hapke's more recently published emission theory is also employed. The third model, the 'Mie/Conel' model, uses Mie single scattering with a two-stream approximation for multiple scattering. This model, like the first, is a converted reflec- tance model. Mie scattering assumes particles are both spherical and well separated, which is not true for the quartz powders, but includes diffraction effects. The fourth model uses the Mie solution for single scattering by spheres and inputs those results into the multiple scattering formalism of Hapke's emission theory. The results of the four models are considered in relation to the values of the optical constants n and k. We have grouped these as class 1 (k large), class 2 (k moderate, n is approximately 2), class 3 (k small, n is approximately 2), and class 4 (k small, n is approximately 1). In general, the Mie/Hapke hybrid model does best at predicting variations with grain size. In particular, it predicts changes of the correct pattern, although incorrect magnitude, for class 1 bands, where large increases in emissivity with decreasing grain size are observed. This model also does an excellent job on moderate (class 2) and very weak and intraband (class 3) regions, and correctly predicts the emission maximum and its invariance with grain size near the Christiansen frequency (class 4). The Mie/Hapke hybrid model also has the fewest free parameters of the four models examined, while maintaining the most physical treatment of the radiative transfer. The Mie/Conel model performs as well as the Mie/Hapke hybrid model in strong bands (class 1) but does not accurately model the behavior of moderate (class 2) and very weak (class 3) bands.

Moersch, J. E.↗
DOE OSTI2017

Microstructural characterization of limestone exposed to heat with XRD, SEM and TG-DSC

Highlights: • The microstructure of limestone (25 °C–800 °C) was analyzed by XRD, SEM and TG-DSC. • The microstructural properties of the crystal are anisotropic in different crystal plane directions. • Microstructure controls the macroscopic properties of limestone. - Abstract: Limestone is a common rock used in many buildings and found in underground engineering projects. After exposure to heat, for example, the occurrence of fires, the stability of limestone structures is mostly affected, which may have safety repercussions. Therefore, the impact of thermal effects on the microstructure of limestone is investigated in this study, in which 8 groups of limestone samples are exposed to different temperatures (25 °C, 100 °C, 200 °C, 300 °C, 500 °C, 600 °C, 700 °C and 800 °C), after which X-ray diffraction, differential scanning calorimetry and scanning electron microscopy are carried out. The mineral composition and the microstructure of the samples are numerically modeled, in which the diffraction peaks, full width at half maximum, integral breadth, microstrain, average domain size and dislocation density are analyzed. The macroscopic properties obtained from the results in other works in the literature including porosity, compressive strength, damage coefficients and modulus of elasticity are also compared with the parameters above. The changes in the crystal structure of two minerals, calcite and dolomite, are found to be anisotropic in the different crystal plane directions. It is also found that the limestone microstructure affects the macroscopic properties. A temperature between 200 °C to 300 °C is the critical temperature at which both the macroscopic properties and macrostructure demonstrate significant changes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Ionic transport and atomic structure of AgI-HgS-GeS 2 glasses

Quasi -ternary (AgI) x (HgS) 0.5–x/2 (GeS 2 ) 0.5–x/2 glasses, 10 –4 ≤x≤0.6 were studied over a wide composition range covering nearly 4 orders of magnitude in the mobile cation content. The glasses show a remarkable increase of the ionic conductivity by 12 orders of magnitude and exhibit two drastically different ion transport regimes: (i) a power-law critical percolation at x≲0.04, and (ii) a modifier-controlled conductivity, exponentially dependent on x≳0.1. Using Raman spectroscopy and high-energy X-ray diffraction supported by DFT modelling of the Raman spectra we show that the glass network is essentially formed by corner-sharing CS-GeS 4/2 tetrahedra. Mercury sulfide in glasses is dimorphic. The majority of Hg species (70% at x<0.2) exist as two-fold coordinated (HgS 2/2 ) n chains. Silver species have mixed (2I+2S) tetrahedral environment forming either edge–sharing ES-Ag 2 I 2 S 4/2 dimers or corner-sharing (CS-AgI 2/2 S 2/2 ) n chains. Here, the relationship between the ionic transport and atomic structure of the glasses is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2020

Free-Space Optical Communication for CubeSats in Low Lunar Orbit (LLO)

The NASA ARTEMIS Program will include LunaNet, a highly extensible, open architecture, lunar communications and navigation network. A constellation of CubeSats in Low Lunar Orbit (LLO), 100 km, could form an optical communications and navigation network as part of LunaNet, with terminals on the lunar surface, including mobile ones such as with astronauts and rovers. The proposed CubeSat nodes should provide data relay and navigational aid services. The proposed effort herein is to develop a fine pointing capability for laser beam pointing to augment body pointing by CubeSats. Body pointing was used by Aerospace Corporation for the CubeSats in LEO in NASA’s Optical Communications and Sensors Demonstration (OCSD) program [1]. Previously, this fine pointing capability was computer simulated for the OCSD program [2,3]. With fine pointing, the spot size on the Earth was reduced by a factor of eight with a reduction in laser output power by a factor of sixty-four, thereby mitigating the thermal load challenge on the CubeSats. The same reductions in spot size and laser output power can be achieved for CubeSats in LLO. A new method is described for optical data transmissions from satellites, which uses laser arrays for laser beam pointing. It combines a lens system and an array of vertical-cavity, surface-emitting lasers and photodetectors, an VCSEL/Photodetector Array, (both mature technologies), in a novel way. This system is applied to CubeSats in low lunar orbit, (LLO), which use body pointing. Also, It may be able to replace current architectures which use dynamical systems, (i.e., moving parts) to point the laser, and which may also use vibration isolation platforms. The computer simulations used the optics code, OpticStudio, from Zemax, LLC, which has the capabilities to model the laser source and diffraction effects from wave optics. These capabilities make it possible to model laser beam propagation over long space communication distances.

Goorjian, P. M.↗
DOE OSTI2017

From cells to laminate: probing and modeling residual stress evolution in thin silicon photovoltaic modules using synchrotron X-ray micro-diffraction experiments and finite element simulations

Fracture of silicon crystalline solar cells has recently been observed in increasing percentages especially in solar photovoltaic (PV) modules involving thinner silicon solar cells (<200 μm). Many failures due to fracture have been reported from the field because of environmental loading (snow, wind, etc.) as well as mishandling of the solar PV modules (during installation, maintenance, etc.). However, a significantly higher number of failures have also been reported during module encapsulation (lamination) indicating high residual stress in the modules and thus more prone to cell cracking. Here in this paper we report through the use of synchrotron X-ray submicron diffraction coupled with physics-based finite element modeling, the complete residual stress evolution in mono-crystalline silicon solar cells during PV module integration process. For the first time, we unravel the reason for the high stress and cracking of silicon cells near soldered inter-connects. Our experiments revealed a significant increase of residual stress in the silicon cell near the solder joint after lamination. Moreover, our finite element simulations show that this increase of stress during lamination is a result of highly localized bending of the cell near the soldered inter-connects. Further, the synchrotron X-ray submicron diffraction has proven to be a very effective way to quantitatively probe mechanical stress in encapsulated silicon solar cells. Thus, this technique has ultimately enabled these findings leading to the enlightening of the role of soldering and encapsulation processes on the cell residual stress. This model can be further used to suggest methodologies that could lead to lower stress in encapsulated silicon solar cells, which are the subjects of our continued investigations.

14 SOLAR ENERGY↗
DOE OSTI2015

Strain and lattice orientation distribution in SiN/Ge complementary metal–oxide–semiconductor compatible light emitting microstructures by quick x-ray nano-diffraction microscopy

This paper presents a study of the spatial distribution of strain and lattice orientation in CMOS-fabricated strained Ge microstripes using high resolution x-ray micro-diffraction. The recently developed model-free characterization tool, based on a quick scanning x-ray diffraction microscopy technique can image strain down to levels of 10{sup −5} (Δa/a) with a spatial resolution of ∼0.5 μm. Strain and lattice tilt are extracted using the strain and orientation calculation software package X-SOCS. The obtained results are compared with the biaxial strain distribution obtained by lattice parameter-sensitive μ-Raman and μ-photoluminescence measurements. The experimental data are interpreted with the help of finite element modeling of the strain relaxation dynamics in the investigated structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Parametric study of residual stress formation in Wire and Arc Additive Manufacturing

Here, a finite element model was created to simulate the Wire Arc Additive Manufacturing (WAAM) thermal and mechanical processes of Inconel 718 on a A36 steel substrate, as well as the effects of process parameters on Residual Stress (RS). The model was verified using temperature data obtained from three thermocouples attached to the upper surface of the build substrate and micro-strain measurements obtained from Neutron Diffraction (ND) measurement. The model was then used to study the effects of changing the torch travel speed and interlayer dwell time. The study found that travel speed has little effect on RS when maintaining the same heat input rate. As well, the interlayer dwell time has a strong effect on RS. Reducing the dwell time causes the stress profiles to become relatively uniform and a high-stress region extends deeper along the build direction. This study provides important insight into mechanical stresses inside large walls made by the WAAM method.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Ground-Based Telescope Parametric Cost Model

A parametric cost model for ground-based telescopes is developed using multi-variable statistical analysis, The model includes both engineering and performance parameters. While diameter continues to be the dominant cost driver, other significant factors include primary mirror radius of curvature and diffraction limited wavelength. The model includes an explicit factor for primary mirror segmentation and/or duplication (i.e.. multi-telescope phased-array systems). Additionally, single variable models based on aperture diameter are derived. This analysis indicates that recent mirror technology advances have indeed reduced the historical telescope cost curve.

Stahl, H. Philip↗
DOE OSTI2015

Alkali metal – yttrium borohydrides: The link between coordination of small and large rare-earth

The system Li–A–Y–BH{sub 4} (A=K, Rb, Cs) is found to contain five new compounds and four further ones known from previous work on the homoleptic borohydrides. Crystal structures have been solved and refined from synchrotron X-ray powder diffraction, thermal stability of new compounds have been investigated and ionic conductivity measured for selected samples. Significant coordination flexibility for Y{sup 3+} is revealed, which allows the formation of both octahedral frameworks and tetrahedral complex anions with the tetrahydroborate anion BH{sub 4} both as a linker and terminal ligand. Bi- and trimetallic cubic double-perovskites c-A{sub 3}Y(BH{sub 4}){sub 6} or c-A{sub 2}LiY(BH{sub 4}){sub 6} (A=Rb, Cs) form in all the investigated systems, with the exception of the Li–K–Y system. The compounds with the stoichiometry AY(BH{sub 4}){sub 4} crystallize in all investigated systems with a great variety of structure types which find their analog amongst metal oxides. In-situ formation of a new borohydride – closo-borane is observed during decomposition of all double perovskites. - Graphical abstract: The system Li–A–Y–BH{sub 4} (A=K, Rb, Cs) is found to contain five novel compounds and four further ones previously reported. Significant coordination flexibility of Y{sup 3+} is revealed, which can be employed to form both octahedral frameworks and tetrahedral complex anions, very different structural topologies. Versatility is also manifested in three different simultaneously occurring coordination modes of borohydrides for one metal cation, as proposed by DFT optimization of the monoclinic KY(BH{sub 4}){sub 4} structural model observed by powder diffraction. - Highlights: • The system Li-A-Y-BH{sub 4} (A=K, Rb, Cs) contains nine compounds in total. • Y{sup 3+} forms octahedral frameworks and tetrahedral complex anions. • Bi- and trimetallic double-perovskites crystallize in most systems. • Various AY(BH{sub 4}){sub 4} crystallize with structure types analogous to metal oxides. • Double-perovskites decompose and form a novel borohydride-closo-borane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Validating a Model for Welding Induced Residual Stress Using High-Energy X-ray Diffraction

Integrated computational materials engineering (ICME) provides a pathway to advance performance in structures through the use of physically-based models to better understand how manufacturing processes influence product performance. As one particular challenge, consider that residual stresses induced in fabrication are pervasive and directly impact the life of structures. For ICME to be an effective strategy, it is essential that predictive capability be developed in conjunction with critical experiments. In the present paper, simulation results from a multi-physics model for gas metal arc welding are evaluated through x-ray diffraction using synchrotron radiation. A test component was designed with intent to develop significant gradients in residual stress, be representative of real-world engineering application, yet remain tractable for finely spaced strain measurements with positioning equipment available at synchrotron facilities. Finally, the experimental validation lends confidence to model predictions, facilitating the explicit consideration of residual stress distribution in prediction of fatigue life.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Characterization of Oxygen Storage and Structural Properties of Oxygen-Loaded Hexagonal R MnO 3+δ ( R = Ho, Er, and Y)

Single-phase polycrystalline samples of stoichiometric RMnO3+delta (R = Er, Y, and Ho) were achieved in the hexagonal P6(3)cm structure through solid state reaction at, similar to 1300 degrees C. Thermogravimetric measurements in oxygen atmospheres demonstrated that samples with the larger Ho and Y show rapid and reversible incorporation of large amounts of excess oxygen (0.3 > delta> 0) at an unusually low temperature range of similar to 190-325 degrees C, indicating the industrial usefulness of RMnO3+delta materials for lower cost thermal swing adsorption processes for oxygen separation from air. Further increase of the excess oxygen intake to delta similar to 0.38 was achieved for all the investigated materials when annealed under high pressures of oxygen. The formation of three oxygen stable phases with 6 = 0, 0.28, and 0.38 was confirmed by thermogravimetric measurements, synchrotron X-rays, and neutron diffraction. In situ synchrotron diffraction proved the thermal stability of these single phases and the regions of their creation and coexistence, and demonstrated that the stability of the delta = 0.28 phase increases with the ionic size of the R ion. Structural modeling using neutron powder diffraction for oxygen excess phases describes the formation and details of a large R3c superstructure observed for HoMnO3.28 by tripling the c-axis of the original parent unit cell. Modeling of the RMnO3.38 (R = Y and Er) oxygen-loaded phase converged on a structural model consistent with the symmetry of Pca2(1).

Abughayada, C.↗
NASA NTRS1976

Semiempirical airframe noise prediction model and evaluation with flight data

A semiempirical maximum overall sound pressure level (OASPL) airframe noise model was derived. Noise radiated from aircraft wings was modeled on the trailing edge diffractes quadrupole sound theory. The acoustic dipole sound theory was used to model noise from the landing gear. The model was correlated with maximum OASPL flyover noise measurements obtained for three jet aircraft. One third octave band sound pressure level flyover data was correlated and interpreted.

Hersh, A. S.↗
NASA NTRS2002

Analysis of Short and Long Range Atomic Order in Nanocrystalline Diamonds with Application of Powder Diffractometry

Fundamental limitations, with respect to nanocrystalline materials, of the traditional elaboration of powder diffraction data like the Rietveld method are discussed. A tentative method of the analysis of powder diffraction patterns of nanocrystals is introduced which is based on the examination of the variation of lattice parameters calculated from individual Bragg lines (named the "apparent lattice parameter", alp). We examine the application of our methodology using theoretical diffraction patterns computed for models of nanocrystals with a perfect crystal lattice and for grains with a two-phase, core-shell structure. We use the method for the analysis of X-ray and neutron experimental diffraction data of nanocrystalline diamond powders of 4, 6 and 12 nm in diameter. The effects of an internal pressure and strain at the grain surface is discussed. This is based on the dependence of the alp values oil the diffraction vector Q and on the PDF analysis. It is shown, that the experimental results support well the concept of the two-phase structure of nanocrystalline diamond.

Palosz, B.↗