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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Verification and Regression Testing of a Physically Stabilized Layered Solid Element Formulation in DYNA3D/Paradyn

Recent modeling of filament-wound composite structures drove the need for a new element type within the finite element code DYNA3D/Paradyn. This new layered solid element was implemented and designed to capture the kinematics and constitutive be havior of various lamina layers defined with arbitrary orientations and volume fractions within the element to accurately model a laminated composite material. The new el ement uses a single integration point in each of the lamina layers defined to capture the constitutive behavior, and a novel physical stabilization routine is used to prevent hourglassing while mitigating shear and volumetric locking. This report documents the verification testing and the regression tests added to the DYNA3D/Paradyn software quality assurance test suite to assess the proper implementation of the new layered solid element. There were a total of 27 tests added the DYNA3D test suite, which consist of problems using the layered solid element with a single layer or multiple layers for isotropic and orthotropic material models. These tests are a combination of simple kinematically driven patch tests, beam bending tests, plate bending tests, and more complicated problems. Ultimately, the testing done verifies that the element behaves as expected and is implemented correctly.

42 ENGINEERING↗

DOE OSTI2024

A layered solid finite element formulation with interlaminar enhanced displacements for the modeling of laminated composite structures

Accurate modeling of layered composite structures often requires the use of detailed finite element models which can sufficiently resolve the kinematics and material behavior within each layer of the composite. However, individually discretizing each material layer into finite elements presents a prohibitive computational expensive given the large number of thin layers comprising some laminated composites. To address these challenges, an 8-node layered solid hexahedral finite element is formulated with the aim of striking an appropriate balance between efficiency and fidelity. The element is discretized into an arbitrary number of distinct material layers, and employs reduced in-plane integration within each layer. The chosen reduced integration scheme is supplemented by a novel physical stabilization approach which includes layerwise enhancements to mitigate various forms of locking phenomena. The proposed framework additionally supports the inclusion of interlaminar enhanced displacements to better represent the kinematics of general layered composite materials. Finally, the described element formulation has been implemented in the ParaDyn finite element code, and its efficacy for modeling laminated composite structures is demonstrated on a variety of verification problems.

42 ENGINEERING↗

DOE OSTI2025

A critical verification of beam and shell models of wind turbine blades

Ever-increasing wind turbine size has challenged predictive capabilities on several fronts. Here, to address part of the blade structural modeling uncertainty, a systematic model fidelity comparison study was conducted on commonly used finite elements. pyNuMAD was utilized to create beam, shell, and solid models of a 100 m long blade undergoing large static deflections. The solid model avoided the use of layered-solid elements by resolving core and facesheet layers. An unprecedented model with 73.7 million elements revealed insights that have never been possible from prior experimental and numerical studies. As compared to the solid element model, the tip deflection from the shell and beam model was found to be about 2% and 4.3% too low, respectively. The twist from the beam model was found to be about 5.6% too high, while the twist from shell model was 24% too low, though improvement was demonstrated with mesh refinement. The beam model adhesive stresses were more accurate than the shell model. Out-of-plane stresses were of great significance near geometric and material discontinuities, and neither the shell nor beam model captured these effects well. Failure predictions from beam, shell, or layered-solid models are unlikely to be reliable at trailing edges, adhesives, ply-drops, spar-cap boundaries.

17 WIND ENERGY↗

NASA NTRS2012

Progressive Damage Analysis of Bonded Composite Joints

The present work is related to the development and application of progressive damage modeling techniques to bonded joint technology. The joint designs studied in this work include a conventional composite splice joint and a NASA-patented durable redundant joint. Both designs involve honeycomb sandwich structures with carbon/epoxy facesheets joined using adhesively bonded doublers.Progressive damage modeling allows for the prediction of the initiation and evolution of damage within a structure. For structures that include multiple material systems, such as the joint designs under consideration, the number of potential failure mechanisms that must be accounted for drastically increases the complexity of the analyses. Potential failure mechanisms include fiber fracture, intraply matrix cracking, delamination, core crushing, adhesive failure, and their interactions. The bonded joints were modeled using highly parametric, explicitly solved finite element models, with damage modeling implemented via custom user-written subroutines. Each ply was discretely meshed using three-dimensional solid elements. Layers of cohesive elements were included between each ply to account for the possibility of delaminations and were used to model the adhesive layers forming the joint. Good correlation with experimental results was achieved both in terms of load-displacement history and the predicted failure mechanism(s).

Leone, Frank A., Jr.↗

NASA NTRS1992

A spectral element approach to wave motion in layered solids

A matrix methodology similar to that of the finite element method is developed for the analysis of stress waves in layered solids. Because the mass distribution is modeled exactly, the approach gives the exact frequency response of each layer. The fast Fourier transform and Fourier series are used for inversion to the time/space domain. The impact of a structured medium with multiple layers is used to demonstrate the method. Comparison with existing propagator and direct global matrix methods show the present approach to be computationally more efficient.

Rizzi, S. A.↗

NASA NTRS1989

A Navier-Stokes solver for high speed equilibrium flows and application to blunt bodies

This paper presents a finite element method for the solution of Navier-Stokes equations with the assumption of thermodynamic and chemical equilibrium. The method employs an upwind finite element technique with an implicit time-marching scheme for the solution, and uses an adaptively generated unstructured triangular mesh with several layers of quadrilateral elements near solid walls. The complexity associated with the assumption that the flow is in equilibrium is treated consistently, and the inviscid flux Jacobian matrices are derived. Several problems involving inviscid and viscous hypersonic flow past blunt are solved. Results are compared with other numerical results and experimental data, and generally good agreement is observed.

Prabhu, Ramadas K.↗

DOE OSTI2022

Redox flow battery with improved efficiency

A method for a redox flow battery includes using a cell of a redox flow battery to store electrical energy and discharge the stored electrical energy. The using includes circulating a first electrolyte solution through a first circulation loop in fluid connection with the first electrode of the cell; circulating a second electrolyte solution through a second circulation loop in fluid connection with the second electrode of the cell; and at least one of a first element from the first electrolyte solution in the first electrode permeates through the separator layer and precipitates as a first solid product in the second electrode and a second element from the second electrolyte solution permeates through the separator layer and precipitates a second solid product in the first electrode. The method also includes removing at least a portion of the first solid product or the second solid product from the first electrode and the second electrode, respectively.

25 ENERGY STORAGE↗

DOE OSTI2022

Effect of geometry and operational parameters on the dehumidification performance of a desiccant coated heat exchanger

Solid desiccant dehumidification systems are an alternative to vapor-compression-based air dehumidification systems. They use solid desiccant materials to adsorb air moisture in space cooling. DCHE can integrate the cooling component in the heat exchanger to achieve higher dehumidification capacity. Comprehensive numeric modeling would be necessary to assist in the design and operation of the DCHE under development to achieve maximum performance. Here, we provide the details of a heat and mass transfer model developed for this purpose. The model aims to cover a gap in existing models by independently modeling heat transfer on the solid desiccant, fin, and tube. The model results were compared with an experimental reference for validation. The air outlet humidity and temperature results for dehumidification and regeneration showed a deviation lower than 15% from the experiment. The validated model was used to perform a parametric study for a series of design and operating conditions. The parametric analysis showed that an increase of 25% in desiccant layer thickness and thermal contact resistance between solid elements reduces moisture removal by 9.1% and 1%, respectively. These results indicate the need to independently model the desiccant layer.

42 ENGINEERING↗

NASA NTRS1981

Postseismic rebound due to creep of the lower lithosphere and asthenosphere

Postseismic surface deformations are attributed to the inelastic flow of the subcrustal regions of the Earth following an earthquake. A multilayer representation of the Earth's rheological properties is used in conjunction with a finite element computational scheme to calculate time dependent displacements and strains subsequent to a strike slip earthquake. The deviatoric stress strain relations for the uppermost layer is assumed elastic. Lower layers are assumed to be, in order of increasing depth, a standard, linear, three element, viscoelastic solid; a linear viscoelastic fluid; and another elastic solid. Physically these layers correspond to the upper lithosphere, lower lithosphere, asthenosphere, and lower mantle, respectively. Elastic dilatational properties are assumed throughout. Appreciable postseismic displacements, possibly approaching meters, for large earthquakes, arise from viscoelastic relaxation following sudden coseismic slip. Furthermore, compared to the simpler case of an elastic lithosphere over a viscoelastic asthenosphere and the near fault postseismic shear, strain is increased, by a factor of two or more in some cases, by the presence of a viscoelastic lower lithosphere. Also, the duration of postseismic straining is increased by the relatively slow relaxation of this layer.

Cohen, S. C.↗

DOE OSTI2021

Coated semiconductor particles and methods of making the same

The present disclosure relates to an electrode material that includes a solid core particle having an outer surface and including at least one of a Group II element, a Group III element, a Group IV element, a Group V element, and/or a Group VI element, and a layer including a polymer, where the solid core particle has a characteristic length between greater than zero nanometers and 1000 nm, the layer substantially covers all of the outer surface, the layer has a thickness between greater than zero nanometers 100 nm, and the layer is capable of elastically stretching as a result of expansion and contraction by the solid core.

Ban, Chunmei↗

DOE OSTI2023

Methods for depositing III-alloys on substrates and compositions therefrom

A method for depositing III-V alloys on substrates and compositions therefrom. A first layer comprises a Group III element. A second layer comprises a silica. A substrate has a surface. The second layer is deposited onto a first layer. The depositing is performed by a sol-gel method. The second layer is exposed to a precursor that comprises a Group V element. At least one of the precursor or the Group V element diffuse through the silica. The first layer is transformed into a solid layer comprising a III-V alloy, wherein at least a portion of the first layer to a liquid. The silica retains the liquified first layer, enabling at least one of the precursor or the Group V element to diffuse into the liquid, resulting in the forming of the III-V alloy.

Warren, Emily Lowell↗

NASA NTRS2000

Mixed Element Type Unstructured Grid Generation for Viscous Flow Applications

A procedure is presented for efficient generation of high-quality unstructured grids suitable for CFD simulation of high Reynolds number viscous flow fields. Layers of anisotropic elements are generated by advancing along prescribed normals from solid boundaries. The points are generated such that either pentahedral or tetrahedral elements with an implied connectivity can be be directly recovered. As points are generated they are temporarily attached to a volume triangulation of the boundary points. This triangulation allows efficient local search algorithms to be used when checking merging layers, The existing advancing-front/local-reconnection procedure is used to generate isotropic elements outside of the anisotropic region. Results are presented for a variety of applications. The results demonstrate that high-quality anisotropic unstructured grids can be efficiently and consistently generated for complex configurations.

Marcum, David L.↗

DOE OSTI2023

Solid-source metal-organic MBE for elemental Ir and Ru films

Thin films of elemental metals play a very important role in modern electronic nano-devices as conduction pathways, spacer layers, spin-current generators/detectors, and many other important functionalities. In this work, by exploiting the chemistry of solid metal-organic source precursors, we demonstrate the molecular beam epitaxy synthesis of elemental Ir and Ru metal thin films. The synthesis of these metals is enabled by thermodynamic and kinetic selection of the metal phase as the metal-organic precursor decomposes on the substrate surface. Film growth under different conditions was studied using a combination of in situ and ex situ structural and compositional characterization techniques. The critical role of substrate temperature, oxygen reactivity, and precursor flux in tuning film composition and quality is discussed in the context of precursor adsorption, decomposition, and crystal growth. Computed thermodynamics quantifies the driving force for metal or oxide formation as a function of synthesis conditions and changes in chemical potential. These results indicate that bulk thermodynamics are a plausible origin for the formation of Ir metal at low temperatures, while Ru metal formation is likely mediated by kinetics.

Materials Science↗

DOE OSTI2020

Microstructure and mechanical properties of nanoscale Cu/(Ta50Nb25Mo25) multilayers

Nanoscale Cu/(Ta50Nb25Mo25) multilayers comprised of medium entropy alloy Ta50Nb25Mo25 and pure Cu are found to exhibit similar length-scale-dependent deformation mechanisms as metallic multilayers with elemental individual layers, i.e., confined layer slip at layer thickness of tens of nanometers and shear localization at several nanometers. The hardness of the nanoscale Cu/(Ta50Nb25Mo25) multilayers is higher as compared to the pure element FCC/BCC multilayers due to the extra solid solution strengthening contribution in the BCC layer. The synergy between the size effect and solid solution strengthening mechanism is discussed. In conclusion, this is an early report of the multi-component multilayers, which serves to provide directions for developing novel multilayer materials.

36 MATERIALS SCIENCE↗

NASA NTRS2002

Finite Element Modeling of the Buckling Response of Sandwich Panels

A comparative study of different modeling approaches for predicting sandwich panel buckling response is described. The study considers sandwich panels with anisotropic face sheets and a very thick core. Results from conventional analytical solutions for sandwich panel overall buckling and face-sheet-wrinkling type modes are compared with solutions obtained using different finite element modeling approaches. Finite element solutions are obtained using layered shell element models, with and without transverse shear flexibility, layered shell/solid element models, with shell elements for the face sheets and solid elements for the core, and sandwich models using a recently developed specialty sandwich element. Convergence characteristics of the shell/solid and sandwich element modeling approaches with respect to in-plane and through-the-thickness discretization, are demonstrated. Results of the study indicate that the specialty sandwich element provides an accurate and effective modeling approach for predicting both overall and localized sandwich panel buckling response. Furthermore, results indicate that anisotropy of the face sheets, along with the ratio of principle elastic moduli, affect the buckling response and these effects may not be represented accurately by analytical solutions. Modeling recommendations are also provided.

Rose, Cheryl A.↗

NASA NTRS2020

Progressive Failure Analysis Correlation with Notched Composite Laminate Test Data

Testing of small and intermediate laminate panels with notches was performed and Progressive Failure Analyses (PFA) models were developed for aid in test planning and for correlation with the test data. Two progressive damage failure models were included in the study: the commercially available Abaqus built-in damage model and COmplete STress Reduction (COSTR) damage model developed at NASA Langley Research Center (LaRC). The finite elements models used for the analysis were developed using shell elements. The pre-test PFA results obtained from the two damage models were compared to test data. Then a post-test PFA with updated material properties based on additional available material property data was executed with the COSTR damage model and compared to the test data. The panels tested in compression all exhibited less scatter in the failure load with self-similar failure behavior. The panels tested in tension exhibited more scatter in the failure load with a failure mode that included delamination of plies. However, a self-similar crack path was also observed as the overall failure mode for all panels tested. When comparing test data to the pre-test analysis results, both damage models with shell element models were considered adequate for predicting the behavior and failure load of both the small and intermediate panels when tested in compression. However, for the tension load cases, larger differences were observed between the test and analysis results. When comparing test data to the post-test analysis performed using the COSTR damage model, better correlation was observed. However, large discrepancies were still observed for the tension load cases. Consequently, a higher fidelity finite element model including solid elements for sub-laminates and the modeling of cohesive layers between sub-laminate layers is recommended for tension loading of notched composite laminates.

Damage Model,Progressive Failure Analysis,Open Hol↗

DOE OSTI2023

From Layered Antiferromagnet to 3D Ferromagnet: LiMnBi-to-MnBi Magneto-Structural Transformation

Here, the intermetallic compound LiMnBi was synthesized by the two-step solid-state reaction from the elements. The synthesis temperature of 850 K was selected based on in-situ high-temperature powder X-ray diffraction data. LiMnBi crystalizes in the layered-like PbClF structure type (a = 4.3131(7) Å, c = 7.096(1) Å at 100 K, P4/nmm space group, Z = 2). LiMnBi structure is built of the alternating [MnBi] and Li layers, as determined from single-crystal X-ray diffraction data. Magnetic properties measurements and solid-state 7 Li Nuclear Magnetic Resonance data collected for polycrystalline LiMnBi samples indicate the long-range antiferromagnetic ordering of Mn sublattice at ~340 K, with no superconductivity down to 5 K detected. LiMnBi is air- and water-sensitive. In aerobic conditions, Li can be extracted from LiMnBi structure to form Li 2 O/LiOH and MnBi (NiAs structure type, P6 3 /mmc). The obtained MnBi polymorph was previously reported to be one of the strongest rare-earth-free ferromagnets, yet its bulk synthesis in powder form is cumbersome. The proposed magneto-structural transformation from ternary LiMnBi to ferromagnetic MnBi involves condensation of the MnBi4 tetrahedra upon Li deintercalation and is exclusive to LiMnBi. In contrast, ferromagnetic MnBi cannot be obtained from either isostructural NaMnBi and KMnBi, or from the structurally related CaMn 2 Bi 2 . Such a distinctive transformation in the case of LiMnBi is presumed to be due to its fitting reactivity to yield MnBi and favorable interlayer distance between [MnBi] layers, while the interlayer distance in NaMnBi and KMnBi structural analogs is unfavorably long. The studies of delithiation from the layered-like LiMnBi under different chemical environments indicate that the yield of the MnBi depends on the type of solvent used and the kinetics of the reaction. A slow rate and mild reaction media lead to a high fraction of the MnBi product. The saturation magnetization of the “as-prepared” MnBi is ~50 % of the expected value of 81.3 emu/g. Overall, this study adds a missing member to the family of ternary pnictides and illustrates how soft-chemistry methods can be used to obtain “difficult-to-synthesize” compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Rapid spatial analysis of surrogate TRISO fuel particles using laser-induced breakdown spectroscopy image analysis

Laser-induced breakdown spectroscopy (LIBS) mapping enables rapid elemental and spatial analysis of solid samples. In this work, surrogate TRi-structural ISOtropic (TRISO) particles with various layers consisting of Zr, W, C, and Si were used to demonstrate the use of a new thickness measurement tool developed to analyze elemental images generated from LIBS maps. Zr particles with varying outer-layer thicknesses ranging from 16 to 32 μm were measured with scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS) and LIBS with both a complementary metal-oxide-semiconductor (CMOS) detector and an intensified charged coupled device (ICCD) detector. LIBS maps of particles were completed using CMOS and ICCD spectrometers with effective spatial resolutions of 4 and 2 μm, respectively. The novel thickness measurement tool identified layer regions within a LIBS map and then identified the locations of the boundaries between these layers. The tool then generated up to 1000 random profiles stemming radially from the center region, which were used to measure the layer thickness/radius. This image analysis tool demonstrated LIBS's ability to provide values comparable with SEM-EDS (3.7% relative difference) along with a 95% reduction in measurement time. Furthermore, the precision of these measurements was on par with the SEM-EDS measurements at <15% relative standard deviation. Following the analysis of the Zr particles, W particles with increased complexity (e.g., five versus three layers) were analyzed using both the CMOS and ICCD spectrometers simultaneously. The spatial dimensions were extracted with an average relative difference of 2.7% and an average relative standard deviation of 9%.

Andrews, Hunter B. [Oak Ridge National Laboratory ↗