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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Experimental and Numerical Analysis of Additively Manufactured Inconel 718 Coupons With Lattice Structure

Abstract In the present paper, two lattice geometries suitable for near surface and double wall cooling were developed and tested. The first type of unit cell consisted of six ligaments of 0.5 mm diameter joined at a common vertex near the middle. The second type of unit cell was derived from the first type by adding four mutually perpendicular ligaments in the middle plane. Two lattice configurations, referred to as L1 and L2, respectively, were obtained by repeating the corresponding unit cell in streamwise and spanwise directions in an inline fashion. Test coupons consisting of these lattice geometries embedded inside rectangular cooling channel with dimensions of 2.54 mm height, 38.07 mm width, and 38.1 mm in length were fabricated using Inconel 718 powder and selective laser sintering (SLS) process. The heat transfer and pressure drop performance was then evaluated using steady-state tests with constant wall temperature boundary condition and for channel Reynolds number ranging from 2800 to 15,000. The lattices depicted a higher heat transfer compared with a smooth channel and both the heat transfer and pressure drop increased with a decrease in the porosity from L1 to L2. Steady-state conjugate numerical results revealed formation of prominent vortical structures in the inter-unit cell spaces, which diverted the flow toward the top end wall and created an asymmetric heat transfer between the two end walls. In conclusion, these lattice structures provided an augmented heat transfer while favorably redistributing the coolant within channel.

Engineering↗
NASA NTRS2016

Investigation of Effective Material Properties of Stony Meteorites

To assess the threat posed by an asteroid entering Earth's atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the Asteroid material properties is needed to achieve this objective. At present, the meteorite material found on Earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Therefore, unit cell models are developed to determine the effective material properties of stony meteorites and in turn deduce the properties of asteroids. The unit cell is representative volume that accounts for diverse minerals, porosity, and matrix composition inside a meteorite. The various classes under investigation includes H-class, L-class, and LL-class chondrites. The effective mechanical properties such as Young's Modulus and Poisson's Ratio of the unit cell are calculated by performing several hundreds of Monte-Carlo simulations. Terrestrial analogs such as Basalt and Gabbro are being used to validate the unit cell methodology.

Asteroids↗
NASA NTRS2016

Investigation of Effective Material Properties of Stony Meteorites

To assess the threat posed by an asteroid entering Earths atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the Asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Therefore, unit cell models are developed to determine the effective material properties of stony meteorites and in turn deduce the properties of asteroids. The unit cell is representative volume that accounts for diverse minerals porosity, and matrix composition inside a meteorite. The various classes under investigation includes H-class, L-class, and LL-class chondrites. The effective mechanical properties such as Young's Modulus and Poisson's Ratio of the unit cell are calculated by performing several hundreds of Monte-Carlo simulations. Terrestrial analogs such as Basalt and Gabbro are being used to validate the unit cell methodology.

Agrawal, Parul↗
NASA NTRS1982

High voltage planar multijunction solar cell

A high voltage multijunction solar cell is provided wherein a plurality of discrete voltage generating regions or unit cells are formed in a single generally planar semiconductor body. The unit cells are comprised of doped regions of opposite conductivity type separated by a gap or undiffused region. Metal contacts connect adjacent cells together in series so that the output voltages of the individual cells are additive. In some embodiments, doped field regions separated by a overlie the unit cells but the cells may be formed in both faces of the wafer.

Evans, J. C., Jr.↗
NASA NTRS2013

Crystal-Chemical Analysis of Soil at Rocknest, Gale Crater

The CheMin instrument on the Mars Science Laboratory rover Curiosity performed X-ray diffraction analysis on Martian soil [1] at Rocknest in Gale Crater. In particular, crystalline phases from scoop 5 were identified and analyzed with the Rietveld method [2]. Refined unit-cell parameters are reported in Table 1. Comparing these unit-cell parameters with those in the literature provides an estimate of the chemical composition of the crystalline phases. For instance, Fig. 1 shows the Mg-content of Fa-Fo olivine as a function of the b unit-cell parameter using literature data. Our refined b parameter is indicated by the black triangle.

Morrison, S. M.↗
DOE OSTI2022

Serial crystallography with multi-stage merging of thousands of images

KAMO and BLEND provide particularly effective tools to automatically manage the merging of large numbers of data sets from serial crystallography. The requirement for manual intervention in the process can be reduced by extending BLEND to support additional clustering options such as the use of more accurate cell distance metrics and the use of reflection-intensity correlation coefficients to infer `distances' among sets of reflections. This increases the sensitivity to differences in unit-cell parameters and allows clustering to assemble nearly complete data sets on the basis of intensity or amplitude differences. If the data sets are already sufficiently complete to permit it, one applies KAMO once and clusters the data using intensities only. When starting from incomplete data sets, one applies KAMO twice, first using unit-cell parameters. In this step, either the simple cell vector distance of the original BLEND or the more sensitive NCDist is used. This step tends to find clusters of sufficient size such that, when merged, each cluster is sufficiently complete to allow reflection intensities or amplitudes to be compared. One then uses KAMO again using the correlation between reflections with a common hkl to merge clusters in a way that is sensitive to structural differences that may not have perturbed the unit-cell parameters sufficiently to make meaningful clusters. Many groups have developed effective clustering algorithms that use a measurable physical parameter from each diffraction still or wedge to cluster the data into categories which then can be merged, one hopes, to yield the electron density from a single protein form. Since these physical parameters are often largely independent of one another, it should be possible to greatly improve the efficacy of data-clustering software by using a multi-stage partitioning strategy. Here, one possible approach to multi-stage data clustering is demonstrated. The strategy is to use unit-cell clustering until the merged data are sufficiently complete and then to use intensity-based clustering. Using this strategy, it is demonstrated that it is possible to accurately cluster data sets from crystals that have subtle differences.

36 MATERIALS SCIENCE↗
NASA NTRS1997

High Performance Circularly Polarized Microstrip Antenna

A microstrip antenna for radiating circularly polarized electromagnetic waves comprising a cluster array of at least four microstrip radiator elements, each of which is provided with dual orthogonal coplanar feeds in phase quadrature relation achieved by connection to an asymmetric T-junction power divider impedance notched at resonance. The dual fed circularly polarized reference element is positioned with its axis at a 45 deg angle with respect to the unit cell axis. The other three dual fed elements in the unit cell are positioned and fed with a coplanar feed structure with sequential rotation and phasing to enhance the axial ratio and impedance matching performance over a wide bandwidth. The centers of the radiator elements are disposed at the corners of a square with each side of a length d in the range of 0.7 to 0.9 times the free space wavelength of the antenna radiation and the radiator elements reside in a square unit cell area of sides equal to 2d and thereby permit the array to be used as a phased array antenna for electronic scanning and is realizable in a high temperature superconducting thin film material for high efficiency.

Bondyopadhyay, Probir K.↗
DOE OSTI2024

Syntheses and crystal structures of four new d 0 transition metal tellurites

Four new d 0 transition metal tellurites, namely InVTeO 6 (1), β-InVTe 2 O 8 (2), FeVTe 2 O 8 (3), and Fe 2 MoTe 2 O 10 (4), were synthesized under hydrothermal conditions, and their crystal structures were determined using single-crystal X-ray diffraction. Compound 1 crystallizes in the noncentrosymmetric space group P2 1 2 1 2 1 (No. 19), with unit cell parameters of a = 5.0759(2) Å, b = 8.5030(3) Å, c = 11.6376(5) Å, V = 502.28(3) Å 3 , and Z = 4, while the other three compounds crystallize in centrosymmetric structures, with space group Cmca and unit cell parameters of a = 7.0633(7) Å, b = 8.962(1) Å, c = 20.162(2) Å, V = 1276.3(2) Å 3 , and Z = 8 for compound 2, space group P2 1 /n and unit cell parameters of a = 7.8901(2) Å, b = 4.9617(1) Å, c = 16.4290(3) Å, β = 93.6198(8)°, V = 641.88(2) Å 3 , and Z = 4 for compound 3, and space group Pnma and unit cell parameters of a = 8.7878(2) Å, b = 6.1327(2) Å, c = 15.2423(4) Å, V = 821.45(4) Å 3 , and Z = 4 for compound 4. Compound 3 adopts a two-dimensional (2D) sheet structure composed of FeO 6 octahedra, VO 4 tetrahedra, and TeO 4 polyhedra. The other three compounds exhibit three-dimensional (3D) framework structures: Compound 1 is built from InO 6 octahedra, VO 4 tetrahedra, TeO 4 polyhedra; Compound 2 consists of InO 6 octahedra, VO 5 square pyramids, and TeO 3 polyhedra; and Compound 4 is composed of FeO 6 octahedra, MoO 6 octahedra, and TeO 3 polyhedra. The band structures, density of states, and electron localization functions of all four compounds were calculated. The vibrational spectra were examined for compounds 1, 2, and 4. Furthermore, powder X-ray diffraction, element analysis, and thermogravimetric analysis were conducted for compound 4.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Method for Making a Fuel Cell from a Solid Oxide Monolithic Framework

The invention is a novel solid oxide fuel cell (SOFC) stack comprising individual bi-electrode supported fuel cells in which a thin electrolyte is supported between electrodes of essentially equal thickness. Individual cell units are made from graded pore ceramic tape that has been created by the freeze cast method followed by freeze drying. Each piece of graded pore tape later becomes a graded pore electrode scaffold that subsequent to sintering, is made into either an anode or a cathode by means of appropriate solution and thermal treatment means. Each cell unit is assembled by depositing of a thin coating of ion conducting ceramic material upon the side of each of two pieces of tape surface having the smallest pore openings, and then mating the coated surfaces to create an unsintered electrode scaffold pair sandwiching an electrolyte layer. The opposing major outer exposed surfaces of each cell unit is given a thin coating of electrically conductive ceramic, and multiple cell units are stacked, or built up by stacking of individual cell layers, to create an unsintered fuel cell stack. Ceramic or glass edge seals are installed to create flow channels for fuel and air. The cell stack with edge sealants is then sintered into a ceramic monolithic framework. Said solution and thermal treatments means convert the electrode scaffolds into anodes and cathodes. The thin layers of electrically conductive ceramic become the interconnects in the assembled stack.

Cable, Thomas L.↗
DOE OSTI2024

DFT Analysis of the Binding of Rare Earth Nitrates at Internal and External Surfaces of MCM-22

MCM-22-type zeolites constitute a well-characterized tunable class of aluminosilicates suitable for elucidating the fundamental aspects of the binding of rare earth elements (REEs) in layered materials. Starting from the pure silica version ITQ-1 with a unit cell of Si 72 O 144 , a model for periodic bulk crystalline MCM-22 with a finite Al concentration is provided by replacing a Si atom with an Al atom in the unit cell at suitable tetrahedral sites near an internal pore surface. Then, a H atom is added to an O atom bridging Si and Al atoms to create a Brønsted acid site (BAS). There are no internal silanol groups in this bulk model. To generate a model for an external surface, we adopt the fully hydroxylated surface structure of a layer within the ITQ-1 precursor with two silanols per lateral unit cell. A BAS on the external surface can be generated by replacing a near-surface Si atom with an Al atom and adding a H atom, as above. The strength of binding at a BAS of REE, X, taken to be present in the solution phase as nitrates, is determined from the energy change in the reaction X(NO 3 ) 3 + ≡Si–{OH}–Al≡ → ≡Si–{OX(NO 3 ) 2 }–Al≡+ HNO 3 . The strength of binding at the silanols is determined similarly. Binding energies are determined from two approaches. The first performs periodic plane-wave density functional theory (DFT) total energy analysis for an entire unit cell of MCM-22. The second utilizes cluster models capturing the local environment of REE binding sites and performs DFT analysis with localized basis sets. The two approaches yield consistent results for Nd, revealing similarly strong binding at either an external or internal BAS, but much weaker binding at a silanol site. This is consistent with the picture deduced from recent experiments. Here, we also comment on binding at Al-bridged siloxane sites, which have been suggested as alternative binding sites to BAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Seals for managing thermal distortion in a turbomachine and methods for building the same

A seal assembly for a component of a turbomachine and method of assembly thereof is provided. The seal assembly includes at least one mating face positioned adjacent to the component and a seal coupled to the mating face. The seal includes an outer shell defining an interior space; an inner matrix filling the interior space comprising a plurality of unit cells comprising one or more metamaterials, wherein at least a portion of the plurality of unit cells are identical, and wherein the plurality of unit cells are repeated throughout the inner matrix; and one or more support struts extending throughout the inner matrix. The method of building the seal assembly may include selecting a first material for the outer shell and selecting the one or more metamaterials for the inner matrix based on the first material.

Trivedi, Deepak↗
DOE OSTI2020

Crystal structures and comparisons of potassium rare-earth molybdates KRE(MoO 4 ) 2 (RE = Tb, Dy, Ho, Er, Yb, and Lu)

Six potassium rare-earth molybdates KRE(MoO 4 ) 2 (RE = Tb, Dy, Ho, Er, Yb, and Lu) were synthesized by flux-assisted growth in K 2 Mo 3 O 10 . The crystal structures were determined using single-crystal X-ray diffraction data. The synthesized molybdates crystallize with the orthorhombic Pbcn space group (No. 60). Trendlines for unit-cell parameters were calculated using data from the current study. The unit-cell parameters a and c increase linearly whereas b decreases with larger RE cations, based on crystal radii. The unit-cell volumes increase linearly and the densities decrease linearly with larger RE cations. The average distances between the RE cations and the nearest O atoms increase with larger cations whereas the average distances of Mo—O and K—O do not show specific trends.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Testing the Predictive Capability of the High-Fidelity Generalized Method of Cells Using an Efficient Reformulation

The High-Fidelity Generalized Method of Cells is a new micromechanics model for unidirectionally reinforced periodic multiphase materials that was developed to overcome the original model's shortcomings. The high-fidelity version predicts the local stress and strain fields with dramatically greater accuracy relative to the original model through the use of a better displacement field representation. Herein, we test the high-fidelity model's predictive capability in estimating the elastic moduli of periodic composites characterized by repeating unit cells obtained by rotation of an infinite square fiber array through an angle about the fiber axis. Such repeating unit cells may contain a few or many fibers, depending on the rotation angle. In order to analyze such multi-inclusion repeating unit cells efficiently, the high-fidelity micromechanics model's framework is reformulated using the local/global stiffness matrix approach. The excellent agreement with the corresponding results obtained from the standard transformation equations confirms the new model's predictive capability for periodic composites characterized by multi-inclusion repeating unit cells lacking planes of material symmetry. Comparison of the effective moduli and local stress fields with the corresponding results obtained from the original Generalized Method of Cells dramatically highlights the original model's shortcomings for certain classes of unidirectional composites.

Arnold, Steven M.↗
DOE OSTI2025

Superconductivity in an ultrathin multilayer nickelate

We report the appearance of superconductivity in single-unit-cell Nd 6 Ni 5 O 12 , exhibiting a transition temperature similar to that of thicker films. In situ synchrotron x-ray scattering performed during growth of the parent phase, Nd 6 Ni 5 O 16 , shows that the necessary layer-by-layer deposition sequence does not follow the sequence of the formula unit but an alternate order due to the relative stability of the perovskite unit cell. We exploit this insight to grow ultrathin Nd 6 Ni 5 O 16 heterostructures and conduct in situ studies of topotactic reduction, finding that formation of the square-planar phase occurs rapidly and is highly sensitive to reduction temperature, with small deviations from the optimum condition leading to inhomogeneity and the loss of superconductivity. The fluorite layer within the unit cell facilitates reduction by initially stabilizing the square-planar phase in the upper half of the unit cell. Our findings provide insight into growth of the Ruddlesden-Popper nickelates, highlighting the need for in situ studies of the metastable phases key to superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Method to Determine the Distribution of Substituted or Intercalated Ions in Transition-Metal Dichalcogenides: Fe x VSe 2 and Fe 1– x V x Se 2

Multiple techniques are combined to determine the amount of intercalation and/or substitution in transition-metal dichalcogenides. Kiessig fringes in the X-ray reflectivity pattern are used to calculate thickness. Laue oscillations in the specular diffraction pattern of the crystallographically aligned samples determine the number of unit cells in the coherently diffracting domains. The amount of impurity phase(s) is estimated by the difference between the thickness of the films and the size of the domains. If the difference is small relative to the total film thickness, the composition of the crystalline phase can be determined from X-ray fluorescence measurements. The number of unit cells possible can be calculated from the amount of each element determined by X-ray fluorescence measurements using in-plane lattice parameters, and the amount of the anion should agree with the number of unit cells determined from the Laue oscillations. The total amount of the metal relative to that required for the number of unit cells from the Laue oscillations provides a direct determination of the relative amount of intercalation and/or substitution in the crystalline dichalcogenide. So the utility of this approach is illustrated in Fe x V 1–y Se 2 samples. The relative amount of intercalation versus substitution was determined independently using electron microscopy and Rietveld refinement of diffraction patterns and is consistent with this new approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Permeability simulation of kidney-bean shaped carbon fibers

Cost saving efforts in carbon fiber manufacturing may result in irregularly shaped cross-sections, often as a kidney-bean shape. Here, in this research, flow simulations were performed to determine transverse permeability of these kidney-bean shaped fibers. Three different unit-cell packing arrangements for the kidney-bean shaped fibers and unit-cell orientations of 0°, + 90°, and – 90° were considered over the fiber volume fraction range 0.30 – 0.75. The kidney-bean shaped fibers had two distinct hexagonally packed unit-cell geometries because of the fiber’s asymmetry with different packing efficiency. The maximum fiber packing fraction for kidney-bean shaped fibers was 0.923, which was larger than the 0.907 for circular fibers. When compared to circular fibers with hexagonal packing, the kidney-bean shaped fibers had up to a 74% reduction in permeability. The ±90° orientations for KB-fibers with hexagonal packing had an infiltration time up to 3.86 longer than the hexagonal packed circular fibers for the same volume fraction.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multi-Objective design of interlocking metasurfaces using conditional diffusion models

Unit cell design remains a major challenge for interlocking metasurfaces, a promising joining technology for dissimilar materials, due to the complex, competing, multivariate design space and the need for rapid adaptation to varying performance requirements. This study explores Conditional Diffusion Models as a design optimization tool for interlocking metasurfaces. Given the complex, competing, multivariate design space for interlocking metasurfaces, unit cell design remains a major challenge for this joining technology. We trained a conditional diffusion model on 25,000 finite element analysis-simulated interlocking metasurface unit cells to generate designs with tailored thermo-mechanical properties (tensile strength, shear strength, and thermal conductivity) based on specified performance criteria. The model demonstrated a success rate of approximately 72 % in producing designs that met specified property bounds. The conditional diffusion model generated both thermally resistive and conductive designs, revealing clear trends in design characteristics: taller, dendritic structures were advantageous for tensile loads, while shorter, robust designs excelled in shear applications. Our findings indicate that the model's performance is more influenced by the breadth of the design space than by the quantity of training data, highlighting the importance of expansive design domains for generating innovative solutions. This work establishes conditional diffusion models as a highly efficient and adaptable tool for rapid interlocking metasurface unit cell design, paving the way for advancements in multi-material joining technologies, as well as highlighting the justification to leverage conditional diffusion models as design tools across complex design domains.

Conditional diffusion models↗
NASA NTRS2008

Full-field Strain Methods for Investigating Failure Mechanisms in Triaxial Braided Composites

Composite materials made with triaxial braid architecture and large tow size carbon fibers are beginning to be used in many applications, including composite aircraft and engine structures. Recent advancements in braiding technology have led to commercially viable manufacturing approaches for making large structures with complex shape. Although the large unit cell size of these materials is an advantage for manufacturing efficiency, the fiber architecture presents some challenges for materials characterization, design, and analysis. In some cases, the static load capability of structures made using these materials has been higher than expected based on material strength properties measured using standard coupon tests. A potential problem with using standard tests methods for these materials is that the unit cell size can be an unacceptably large fraction of the specimen dimensions. More detailed investigation of deformation and failure processes in large unit cell size triaxial braid composites is needed to evaluate the applicability of standard test methods for these materials and to develop alternative testing approaches. In recent years, commercial equipment has become available that enables digital image correlation to be used on a more routine basis for investigation of full field 3D deformation in materials and structures. In this paper, some new techniques that have been developed to investigate local deformation and failure using digital image correlation techniques are presented. The methods were used to measure both local and global strains during standard straight-sided coupon tensile tests on composite materials made with 12 and 24 k yarns and a 0/+60/-60 triaxial braid architecture. Local deformation and failure within fiber bundles was observed, and this local failure had a significant effect on global stiffness and strength. The matrix material had a large effect on local damage initiation for the two matrix materials used in this investigation. Premature failure in regions of the unit cell near the edge of the straight-sided specimens was observed for transverse tensile tests in which the braid axial fibers were perpendicular to the specimen axis and the bias fibers terminated on the cut edges in the specimen gage section. This edge effect is one factor that could contribute to a measured strength that is lower than the actual material strength in a structure without edge effects.

Littell, Justin D.↗