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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Advanced Self-Healing Polymer-Cement Composites for Geothermal Wellbore Application at 300 °C

Polymer-cement composites were formulated using two base cements and three polymers and evaluated as potential alternatives to conventional geothermal wellbore cementitious material. To mimic geothermal conditions these cement composites were cured at 300 °C and their mechanical properties, including compressive strength, Young modulus, shear bond strength to steel casing, and self-healing and re-adhering (to steel) capability were tested. To test thermal stability the samples were cured at 300 °C for up to 30 days followed by analysis of their mineralogy and chemical composition by X-ray diffraction spectroscopy (XRD), 13C NMR, and total organic carbon (TOC). These tests showed that all polymer composites formulated were thermally stable as supported by almost 100% TOC of the 300 ?C cured samples and presence of all the polymer signals in 13C NMR permeability tests performed before and after healing a longitudinal fracture base cements and polymer-cement composites gave lower (2nd/1st) permeability ratios with respect to base cements which suggests that introduction polymers result in self-healing composite materials. Curing two of the best performing polymer-cement composites for a period of 30 days at 300 °C maintained the self-healing capability. These advanced polymer-cement composites with higher mechanical stability, ductility and self-healing capability are promising alternatives to wellbore cement materials for geothermal and fossil energy applications.

polymer-cement, composite, wellbore, self-healing,↗
DOE OSTI2022

Calibrating the SPECTACULAR constitutive model using legacy Sandia data for two filled epoxy systems: 828/CTBN/DEA/GMB and 828/DEA/GMB

The SPECTACULAR model is a development extension of the Simplified Potential Energy Clock (SPEC) model. Both models are nonlinear viscoelastic constitutive models used to predict a wide range of time-dependent behaviors in epoxies and other glass-forming materials. This report documents the procedures used to generate SPECTACULAR calibrations for two particulate-filled epoxy systems, 828/CTBN/DEA/GMB and 828/DEA/GMB. No previous SPECTACULAR or SPEC calibration exists for 828/CTBN/DEA/GMB, while a legacy SPEC calibration exists for 828/DEA/GMB. To generate the SPECTACULAR calibrations, a step-by-step procedure was executed to determine parameters in groups with minimal coupling between parameter groups. This procedure has often been deployed to calibrate SPEC, therefore the resulting SPECTACULAR calibration is backwards compatible with SPEC (i.e. none of the extensions specific to SPECTACULAR are used). The calibration procedure used legacy Sandia experimental data stored on the Polymer Properties Database website. The experiments used for calibration included shear master curves, isofrequency temperature sweeps under oscillatory shear, the bulk modulus at room temperature, the thermal strain during a temperature sweep, and compression through yield at multiple temperatures below the glass transition temperature. Overall, the calibrated models fit the experimental data remarkably well. However, the glassy shear modulus varies depending on the experiment used to calibrate it. For instance, the shear master curve, isofrequency temperature sweep under oscillatory shear, and the Young's modulus in glassy compression yield values for the glassy shear modulus at the reference temperature that vary by as much as 15 %. Also, for 828/CTBN/DEA/GMB, the temperature dependence of the glassy shear modulus when fit to the Young's modulus at different temperatures is approximately four times larger than when it is determined from the isofrequency temperature sweep under oscillatory shear. For 828/DEA/GMB, the temperature dependence of the shear modulus determined from the isofrequency temperature sweep under oscillatory shear accurately predicts the Young's modulus at different temperatures. When choosing values for the shear modulus, fitting the glassy compression data was prioritized. The new and legacy calibrations for 828/DEA/GMB are similar and appear to have been calibrated from the same data. However, the new calibration improves the fit to the thermal strain data. In addition to the standard calibrations, development calibrations were produced that take advantage of development features of SPECTACULAR , including an updated equilibrium Helmholtz free energy that eliminates undesirable behavior found in previous work. In addition to the previously mentioned experimental data, the development calibrations require data for the heat capacity during a stress-free temperature sweep to calibrate thermal terms.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Prediction of Mechanical Properties of Polymers With Various Force Fields

The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3. The predicted values of Young s modulus and shear modulus of the polyimide are compared with experimental values. The results indicate that the mechanical properties of the polyimide predicted with the OPLS-AA force field most closely matched those from experiment. The results also indicate that while the complexity of the force field does not have a significant effect on the accuracy of predicted properties, small differences in the force constants and the functional form of individual terms in the force fields determine the accuracy of the force field in predicting the elastic properties of the polyimide.

Odegard, Gregory M.↗
DOE OSTI2022

Extracting single fiber transverse and shear moduli from off-axis misalignment fiber tensile testing

Small diameter (<100 μm) fibers (e.g. carbon fibers, Kevlar, and fiberglass) and wires (e.g. ultrafine copper and aluminum wires) are frequently used in many different engineering applications, such as for light weighting structures, electromagnetic shielding for aircraft/infrastructure/EVs, vibration damping, biological sensors, aerospace electrical devices, and electric windings just to name a few. Due to the manufacturing process, the fibers and wires are pulled and stretched to produce a preferential alignment. Therefore, thin fibers and wires typically display different properties along the length of the fiber as opposed to their cross section and many fibers/wires are considered transversely isotropic. The axial properties of fibers/wires can be ascertained via tensile testing of single-filaments or fiber tows, but the radial properties require much more effort to measure. Knowing these properties is important for the accurate prediction of micromechanical models and manipulation of fibers during micromanufacturing. In this paper, a new technique was developed to determine the transverse/shear moduli and strength of a material by conducting tensile tests of the material at increasing misalignment angles from the tensile axis. Due to the transversely isotropic nature of the material, the transverse/shear moduli and strength influence the experimental results recorded by the test machine to different degrees based on the amount of misalignment in the test setup. An equation was derived to determine the influence of each of the material properties based on the misalignment angle by manipulating the stiffness matrix for transversely isotropic materials using the transformation matrices. Then, curve fitted coefficients were used to identify the material properties. Here, the strengths were similarly determined by curve fitting an off-axis Tsai-Hill failure criteria to determine the influence of transverse, shear, and tensile strengths based on the complex loading condition provided by the off-axis tensile test. Zoltek Panex 35 carbon fibers were used to demonstrate this new technique and the determined properties were then compared to those obtained from nanoindentation and from literature. Fracture surfaces provide insight into the different failure mechanisms at various misalignment angles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Strength of tantalum to 276 GPa determined by two x-ray diffraction techniques using diamond anvil cells

Tantalum (Ta) is a metal that has useful properties that make it useful in extreme environments. It is therefore important to understand how Ta performs in such extreme conditions by accurately measuring its properties. In this work, the yield strength of tantalum has been measured at pressures up to 276 GPa using axial and radial x-ray diffraction (XRD) methods in diamond anvil cells (DAC). We measured strength using XRD in a radial DAC to 50 GPa, in an axial DAC to 60 GPa using diamonds with standard flat culets, and in a final experiment to 276 GPa using toroidal diamond anvils. The radial XRD data were refined using the Material Analysis Using Diffraction (MAUD) Rietveld software package to extract lattice strain and the yield strength. The axial data were refined using the General Structure Analysis System (GSAS) II and a linewidth method was used to calculate the yield strength. The yield strength measured near ambient pressure was found to be 0.5 GPa and increased with pressure up to 50 GPa, where the yield strength plateaued at a value of 2.4 GPa. At pressures above 60 GPa, the strength increased again to a maximum value of 9 GPa at the highest pressure of 276 GPa. Here, the data from the three experiments show good agreement between the methods and previously reported experimental data. This agreement illustrates the value of axial diffraction data for material strength determination and allows for measurements at multihundreds of GPa using toroidal DACs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of Strain Rate and Temperature on the Mechanical Properties of Simulated Silica Ionogels

Ionogels are hybrid materials formed by impregnating the pore space of a solid matrix with a conducting ionic liquid. By combining the properties of both component materials, ionogels can act as self-supporting electrolytes in Li batteries. In this study, molecular dynamics simulations are used to investigate the dependence of mechanical properties of silica ionogels on solid fraction, temperature, and pore width. Comparisons are made with corresponding aerogels. We find that the solid matrix fraction increases the moduli and strength of the ionogel. This varies nonlinearly with temperature and strain rate, according to the contribution of the viscous ionic liquid to resisting deformation. Additionally, owing to the temperature and strain sensitivity of the ionic liquid viscosity, the mechanical properties approach a linear mixing law at high temperature and low strain rates. The median pore width of the solid matrix plays a complex role, with its influence varying qualitatively with deformation mode. Narrower pores increase the relevant elastic modulus under shear and uniaxial compression but reduce the modulus obtained under uniaxial tension. Conversely, shear and tensile strength are increased by narrowing the pore width. All of these pore size effects become more pronounced as the silica fraction increases. Pore size effects, similar to the effects of temperature and strain rate, are linked to the ease of fluid redistribution within the pore space during deformation-induced changes in the geometry of the pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Effect of constitutive law on the erythrocyte membrane response to large strains

Three constitutive laws, that is the Skalak, neo-Hookean and Yeoh laws, commonly employed for describing the erythrocyte membrane mechanics are theoretically analyzed and numerically investigated to assess their accuracy for capturing erythrocyte deformation characteristics and morphology. In this work, particular emphasis is given to the nonlinear deformation regime, where it is known that the discrepancies between constitutive laws are most prominent. Hence, the experiments of optical tweezers and micropipette aspiration are considered here, for which relationships between the individual shear elastic moduli of the constitutive laws can also be established through analysis of the tension-deformation relationship. All constitutive laws were found to adequately predict the axial and transverse deformations of a red blood cell subjected to stretching with optical tweezers for a constant shear elastic modulus value. As opposed to Skalak law, the neo-Hookean and Yeoh laws replicated the erythrocyte membrane folding, that has been experimentally observed, with the trade-off of sustaining significant area variations. For the micropipette aspiration, the suction pressure-aspiration length relationship could be excellently predicted for a fixed shear elastic modulus value only when Yeoh law was considered. Importantly, the neo-Hookean and Yeoh laws reproduced the membrane wrinkling at suction pressures close to those experimentally measured. None of the constitutive laws suffered from membrane area compressibility in the micropipette aspiration case.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Development of polyphenylquinoxaline graphite composites.

The potential of polyphenylquinoxaline (PPQ)/graphite composites to serve as structural material at 316 C (600 F) has been demonstrated using a block copolymer, BICo(1:3), PPQ derivative. Initially, 13 polyphenylquinoxalines were evaluated. From this work, four candidate polymers were selected for preliminary evaluation as matrices for HMS graphite fiber reinforced composites. The preliminary composite evaluation enabled selection of one of the four polymers for advanced composite preparation and testing. Using an experimentally established cure schedule for each of the four polymers, preliminary laminates of 50% resin volume content, prepared without postcure, were tested for flexure strength and modulus, interlaminar shear strength (short beam), tensile strength, and modulus of ambient temperature. The potential of PPQ/graphite laminates to serve as short term structural materials at temperatures up to 371 C (700 F) was demonstrated through weight loss experiments.

Shdo, J. G.↗
NASA NTRS1973

Development of polyphenylquinoxaline graphite composites

The potential of polyphenylquinoxaline (PPQ)/graphite composites to serve as structural material at 316 C (600 F)has been demonstrated using a block copolymer, BlCo(13), PPQ derivative. Initially, thirteen polyphenylquinoxalines were evaluated. From this work, four candidate polymers were selected for preliminary evaluation as matrices for HMS graphite fiber reinforced composites. The preliminary composite evaluation enabled selection of one of the four polymers for advanced composite preparation and testing. Using an experimentally established cure schedule for each of the four polymers, preliminary laminates of 50% resin volume content, prepared without postcure, were tested for flexure strength and modulus, interlaminar shear strength (short beam), and tensile strength and modulus at ambient temperature. A block copolymer (Bl Co 13) derived from one mole p-bis (phenylglyoxalyl) benzene, one fourth mole 3,3'-diaminobenzidine and three-fourths mole 3,3', 4,4'-tetraminobenzophenone was selected for extensive study. Tensile, flexural, and interlaminar shear values were obtained after aging and testing postcured BlCo(13) laminates at 316 C (600 F). The potential of PPQ/graphite laminates to serve as short term structural materials at temperatures up to 371 C (700 F) was demonstrated through weight loss experiments.

Hoggatt, J. T.↗
NASA NTRS2004

In-Plane Shear Testing of Medium and High Modulus Woven Graphite Fiber Reinforced/Polyimide Composites

Iosipescu shear tests were performed at room temperature and at 316 C (600 F) o woven composites with either M40J or M60J graphite fibers and PMR-II-50 polyimide resin matrix. The composites were tested as supplied and after thermo-cycling, with the thermo-cycled composites being tested under dry and wet conditions. Acoustic emission (AE) was monitored during the room and high temperature Iosipescu experiments. The shear stresses at the maximum loads and the shear stresses at the significant onset of AE were determined for the composites as function of temperature and conditioning. The combined effects of thermo-cycling and moisture on the strength and stiffness properties of the composites were evaluated. It was determined that the room and high temperature shear stresses at the maximum loads were unaffected by conditioning. However, at room temperature the significant onset of AE was affected by conditioning; the thermal conditioned wet specimens showed the highest shear stress at the onset of AE followed by thermal-conditioned and then as received specimens. Also, at igh temperature the significant onset of AE occurred in some specimens after the maximum load due to the viscoelastoplastic nature of the matrix material.

Gentz, M.↗
DOE OSTI2025

Improved Calculation of the Young’s Modulus of Rectangular Prisms from Their Resonant Frequency Overtones by Identifying Appropriate Shear Constants

Young’s modulus is an important parameter for characterizing the strength of, and wave propagation through, a given material. This study improves the estimation of Young’s modulus using the impulse excitation technique based on an experimental analysis of 19 borosilicate glass bars. Analysis of the frequency equations relating Young’s modulus to the out-of-plane and in-plane flexural resonant frequencies of rectangular prisms has been conducted for both the fundamental frequency and its overtones at higher orders of vibration. Furthermore, the Young’s moduli of three novaculite rocks with various porosities were then measured up to the seventh order of vibration to validate the optimum shear constant equation for estimating Young’s modulus. Young’s modulus was found to be nearly frequency independent for these rock samples.

Impulse excitation↗
DOE OSTI2022

Determination of single-crystal elastic moduli of Li RE F 4 ( RE =Y, Gd, and Tb) by resonant ultrasound spectroscopy

The tetragonal fluoro-scheelite Li RE F 4 compounds (RE = rare earth) have been shown to exhibit a variety of useful optical and magnetic properties. While LiYF 4 has been widely studied, many of the fundamental thermodynamic properties of other members of this family remain unknown. Here, we report the complete elastic tensors (C ij ) of single-crystalline LiYF 4 , LiTbF 4 , and LiGdF 4 using resonant ultrasound spectroscopy and density functional theory (DFT). Here we compare the results for LiYF 4 with prior experimental results using time-of-flight ultrasound methods. This is the first report, however, of the experimental elastic tensors of LiTbF 4 and LiGdF 4 . The present results point to a softening of the elastic moduli of the Li RE F 4 system when Y is replaced by the larger ionic radius of Tb or Gd. Furthermore, we find that just 0.3% doping with Nd on the Y site also leads to a slight softening of the moduli. The variation of the elastic moduli as a function of temperature up to 216°C was also measured. A nearly linear softening of all seven independent elastic moduli was observed with increasing temperature. Phonon dispersions and phonon density of states obtained by DFT support the experimental finding of a significantly higher sound velocity due to lighter Y atoms in LiYF 4 , as compared to heavier LiTbF 4 and LiGdF 4 .

36 MATERIALS SCIENCE↗
NASA NTRS1994

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

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

Ifju, Peter G.↗
DOE OSTI2020

Contribution of cryogenic thermal cycling to the atomic dynamics in a La-based bulk metallic glass with different initial states

Structural rejuvenation in metallic glasses (MGs) induced by cryogenic thermal cycling has been intensively studied. However, the effect of thermal cycling on the atomic dynamics in MGs is still missing. In this work, we present a systematic study on the atomic dynamics in a La-based MG affected by sub-Tg annealing and thermal cycling. We find that the thermal cycling has little effect on the atomic dynamics in both as-cast and annealed MGs although it could significantly increase the free volume and change mechanical properties of the as-cast MG sample. In contrast, both the structure and mechanical properties of the well-relaxed sample are almost unchanged by thermal cycling. Further, the increased open volume, mainly in the form of atomic vacancies, does not greatly promote the atomic dynamics in the as-cast MG sample, indicating that the free volume induced by thermal cycling is not the key factor in stimulating the β-relaxation and the boson peak in the studied MG.

36 MATERIALS SCIENCE↗
NASA NTRS1992

A parametric study of variables that affect fiber microbuckling initiation in composite laminates. I - Analyses. II - Experiments

The effects of the stacking sequence (orientation of plies adjacent to the 0-deg plies), free surfaces, fiber/matrix interfacial bond strength, initial fiber waviness, resin-rich regions, and nonlinear shear constitutive behavior of the resin on the initiation of fiber microbuckling in thermoplastic composites were investigated using nonlinear geometric and nonlinear 2D finite-element analyses. Results show that reductions in the resin shear tangent modulus, large amplitudes of the initial fiber waviness, and debonds each cause increases in the localized matrix shear strains; these increases lead in turn to premature initiation of fiber microbuckling. The numerical results are compared to experimental data obtained using three thermoplastic composite material systems: (1) commercial APC-2, (2) QUADRAX Unidirectional Interlaced Tape, and AU4U/PEEK.

Guynn, E. G.↗
DOE OSTI2021

Room Temperature to 150 °C Lithium Metal Batteries Enabled by a Rigid Molecular Ionic Composite Electrolyte

Molecular ionic composites (MICs), made from ionic liquids and a rigid-rod polymer poly(2,2'-disulfonyl-4,4'-benzidine terephthalamide) (PBDT), are a new type of rigid gel electrolyte that combine fast ion transport with high thermal stability and mechanical strength. In this work, a MIC electrolyte membrane is prepared that is composed of PBDT, lithium bis(trifluoromethylsulfonyl)imide (LiTFSI), and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (Pyr 14 TFSI) in a mass ratio of 10:10:80. The ionic conductivity at 25 °C is 0.56 mS cm –1 with no added flammable/volatile components. Although the polymer content is only 10 wt%, this MIC membrane is rigid with a tensile modulus of 410 MPa at room temperature. The MIC membrane remains stable and rigid at 200 °C with the shear storage modulus (G') only slightly decreasing by 35%. Li/MIC/LiFePO 4 cells demonstrate stable cycling performance over a wide temperature range from 23 to 150 °C. The specific discharge capacity at 100 and 150 °C at 1 C rate exceeds 160 mAh g –1 . The discharge capacity retention is 99% after 50 cycles at 150 °C. Furthermore, this stable battery performance shows that this low polymer content MIC membrane qualifies for use as a solid electrolyte in lithium metal batteries operating over a wide temperature range.

25 ENERGY STORAGE↗