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At least 1,747 records · Page 97

Conductive network formation of carbon nanotubes in elastic polymer microfibers and its effect on the electrical conductance: Experiment and simulation

We investigate how the electrical conductance of microfibers (made of polymers and conductive nanofillers) decreases upon uniaxial deformation by performing both experiments and simulations. Even though various elastic conductors have been developed due to promising applications for deformable electronic devices, the mechanism at a molecular level for electrical conductance change has remained elusive. Previous studies proposed that the decrease in electrical conductance would result from changes in either distances or contact numbers between conductive fillers. In this work, we prepare microfibers of single walled carbon nanotubes (SWCNTs)/polyvinyl alcohol composites and investigate the electrical conductance and the orientation of SWCNTs upon uniaxial deformation. We also perform extensive Monte Carlo simulations, which reproduce experimental results for the relative decrease in conductance and the SWCNTs orientation. We investigate the electrical networks of SWCNTs in microfibers and find that the decrease in the electrical conductance upon uniaxial deformation should be attributed to a subtle change in the topological structure of the electrical network.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unraveling the Dynamics of Aminopolymer/Silica Composites

Branched poly(ethylenimine) (PEI) encapsulated within mesoporous silica (SBA-15), has proven to be an eective sorbent for developing carbon capture technologies. However, the structure-property correlations which govern their adsorptive properties is not well understood. By combining coarse-grained molecular dynamics simulations and neutron scattering experiments we are able to construct, and validate, a detailed model of the dynamics and morphology of the conned polymer within the mesoporous support. By varying the simulation properties we are able to probe, for the rst time, the direct relationship between the structure of the polymer and the non-monotonic dynamics of the polymer as a function of monomer concentration within an adsorbing cylindrical pore. Overall the simulation results are in good agreement with quasi-elastic neutron scattering (QENS) studies, suggesting an approach that can be a useful guide for understanding how to tune porous polymer composites for enhancing desired dynamical and structural behavior targeting enhanced carbon dioxide adsorption.

36 MATERIALS SCIENCE↗

Structure, dynamics and stability of water/scCO 2 /mineral interfaces from ab initio molecular dynamics simulations

Here, the interface between a solid and a complex multi-component liquid forms a unique reaction environment whose structure and composition can significantly deviate from either bulk or liquid phase and is poorly understood due the innate difficulty to obtain molecular level information. Feldspar minerals, as typified by the Ca-end member Anorthite, serve as prototypical model systems to assess the reactivity and ion mobility at solid/water-bearing supercritical fluid (WBSF) interfaces due to recent X-ray based measurements that provide information on water-film formation, and cation vacancies at these surfaces. Using density functional theory based molecular dynamics, which allows the evaluation of reactivity and condensed phase dynamics on equal footing, we report on the structure and dynamics of water nucleation and surface aggregation, carbonation and Ca mobilization under geologic carbon sequestration scenarios (T = 323 K and P = 90 bar). We find that water has a strong enthalpic preference for aggregation on a Ca-rich, O-terminated anorthite (001) surface, but entropy strongly hinders the film formation at very low water concentrations. Carbonation reactions readily occur at electron-rich terminal Oxygen sites adjacent to cation vacancies, when in contact with supercritical CO 2 . Cation vacancies of this type can form readily in the presence of a water layer that allows for facile and enthalpicly favorable Ca 2+ extraction and solvation. Apart from providing unprecedented molecular level detail of a complex three component (mineral, water and scCO 2 ) system), this work highlights the ability of modern capabilities of AIMD methods to begin to qualitatively and quantitatively address structure and reactivity at solid-liquid interfaces of high chemical complexity. This work was supported by the US Department of Energy, Office of Fossil Energy (M.-S. L., B. P. M. and V.-A. G.) and the Office of Basic Energy Science, Division of Chemical Sciences, Geosciences and Biosciences (R.R.), and performed at the Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for DOE by Battelle. Computational resources were provided by PNNL’s Platform for Institutional Computing (PIC), the W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at PNNL and the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design, performance, and cost savings of using GF-PC additively manufactured tooling for stamping of HSS 590 sheet metal

Conventional sheet metal forming tooling in the automotive industry is made up of hardened steel and used for mass-production. Prototype tooling made of metal is durable, but it is only used for a small number of parts despite its high cost, contributing heavily to the vehicle development cost. Additive Manufacturing (AM) offers a low-cost alternative for fabricating tooling suitable for low-volume production. Here, this study investigates the feasibility of using AM polymer composite tooling for the stamping of 1.5mm thickness HSS 590 steel sheets through a two-pronged approach – experimental and numerical analysis. Sheet metal stamping experiments were conducted with glass fiber reinforced polycarbonate (GF-PC) AM polymer tooling and their performance was evaluated based on various metrics such as tool deformation and part accuracy. Finite element simulations of the stamping process were performed, which accurately captured the tool deformations seen in experiments with the use of anisotropic material models. The effective use of simulations in optimizing process parameters to achieve the desired final part geometry is also demonstrated. The GF-PC AM polymer composite tooling was found to be well suited for low volume production applications with potential cost savings.

36 MATERIALS SCIENCE↗

Nanoscale simulation of the thylakoid membrane response to extreme temperatures

Abstract The thylakoid membrane is in a temperature‐sensitive equilibrium that shifts repeatedly during the life cycle in response to ambient temperature or solar irradiance. Plants respond to seasonal temperature variation by changing their thylakoid lipid composition, while a more rapid mechanism for short‐term heat exposure is required. The emission of the small organic molecule isoprene has been postulated as one such possible rapid mechanism. The protective mechanism of isoprene is unknown, but some plants emit isoprene at high temperature. We investigate the dynamics and structure for lipids within a thylakoid membrane across temperatures and varied isoprene content using classical molecular dynamics simulations. The results are compared with experimental findings for temperature‐dependent changes in the lipid composition and shape of thylakoids. The surface area, volume, and flexibility of the membrane, as well as the lipid diffusion, increase with temperature, while the membrane thickness decreases. Saturated thylakoid 34:3 glycolipids derived from eukaryotic synthesis pathways exhibit altered dynamics relative to lipids from prokaryotic synthesis paths, which could explain the upregulation of specific lipid synthesis pathways at different temperatures. Increasing isoprene concentration was not observed to have a significant thermoprotective effect on the thylakoid membranes, and that isoprene readily permeated the membrane models tested.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of global simulations of aerosol particle and cloud condensation nuclei number, with implications for cloud droplet formation

A total of 16 global chemistry transport models and general circulation models have participated in this study; 14 model shave been evaluated with regard to their ability to reproduce the near-surface observed number concentration of aerosol particles and cloud condensation nuclei (CCN), as well as derived cloud droplet number concentration (CDNC). Model results for the period 2011–2015 are compared with aerosol measurements(aerosol particle number, CCN and aerosol particle composition in the submicron fraction) from nine surface stations located in Europe and Japan.The evaluation focuses on the ability of models to simulate the average across time state in diverse environments and on the seasonal andshort-term variability in the aerosol properties. There is no single model that systematically performs best across all environments represented by the observations. Models tend to underestimate the observed aerosol particle and CCN number concentrations, with average normalized mean bias (NMB) of all models and for all stations, where dataare available, of –24% and –35% for particles with dry diameters <50 and <120 nm, as well as –36% and –34% for CCNat supersaturations of 0.2% and 1.0%, respectively. Yet, they seem to behave differently for particles activating at very low supersaturations (<0.1%) than at higher ones. A total of 15 models have been used to produce ensemble annual median distributions of relevant parameters. The model diversity (defined as the ratio of standard deviation to mean) is up to about 3 for simulated N 3 (number concentration of particles with dry diameters larger than 3 nm) and up to about 1 for simulated CCN in the extra-polar regions. A global mean reduction of a factor of about 2 is found in the model diversity for CCN at a supersaturation of 0.2% (CCN 0.2 ) compared to that for N 3 , maximizing over regions where new particle formation is important. An additional model has been used to investigate potential causes of model diversity in CCN and bias compared to the observations by performing a perturbed parameter ensemble (PPE) accounting for uncertainties in 26 aerosol-related model input parameters. This PPE suggests that biogenic secondary organic aerosol formation and the hygroscopic properties of the organic material are likely to be the major sources of CCN uncertainty in summer, with dry deposition and cloud processing being dominant in winter. Models capture the relative amplitude of the seasonal variability of the aerosol particle number concentration for all studied particle sizes with available observations (dry diameters larger than 50, 80 and 120 nm). The short-term persistence time (on the order of a few days) of CCN concentrations, which is a measure of aerosol dynamic behavior in the models, is underestimated o naverage by the models by 40% during winter and 20% in summer. In contrast to the large spread in simulated aerosol particle and CCN number concentrations, the CDNC derived from simulated CCN spectra is less diverse and in better agreement with CDNC estimates consistently derived from the observations (average NMB –13% and –22% for updraft velocities 0.3 and 0.6m s –1 , respectively). In addition, simulated CDNC is in slightly better agreement with observationally derived values at lower than at higher updraft velocities (index of agreement 0.64 vs. 0.65). The reduced spread of CDNC compared to that of CCN is attributed to the sublinear response of CDNC to aerosol particle number variations and the negative correlation between the sensitivities of CDNC to aerosol particle number concentration( ∂ N d / ∂ N a ) and to updraft velocity ( ∂ N d / ∂ w ). Overall, we find that while CCN is controlled by both aerosol particle number and composition, CDNC is sensitive to CCN at low and moderate CCN concentrations and to the updraft velocity when CCN levels are high. Discrepancies are found in sensitivities ∂ N d / ∂ N a and ∂ N d / ∂ w ; models may be predisposed to be too“aerosol sensitive” or “aerosol insensitive” in aerosol–cloud–climate interaction studies, even if they may capture average droplet numbers well.This is a subtle but profound finding that only the sensitivities can clearly reveal and may explain inter-model biases on the aerosol indirect effect.

54 ENVIRONMENTAL SCIENCES↗

Chemical Composition and PCT Data for the Initial Set of Hanford Enhanced Waste Loading Glasses

In this report, the Savannah River National Laboratory provides chemical analyses and Product Consistency Test results for 20 simulated high level waste glasses fabricated by the Pacific Northwest National Laboratory. The results of these analyses will be used as part of efforts to revise or extend the validation ranges of the current Hanford Waste Treatment and Immobilization Plant glass property models to cover a broader span of waste compositions. The measured chemical composition data are reported and compared with the targeted values for each component for each glass. Two components of the study glasses, fluorine and silver, were not measured since each of these species would have required the use of an additional preparation method and their measured values were likely to be near or below analytical detection limits. Some of the glasses were difficult to prepare for chemical analysis. A sodium peroxide fusion dissolution method was successful in completely dissolving the glasses. Components present in the glasses in minor concentrations can be difficult to measure using this dissolution method due to dilution requirements. The use of a lithium metaborate preparation method for the minor components (planned for use since it is typically successful in digesting Defense Waste Processing Facility HLW glasses) resulted in an unacceptable amount of undissolved solids remaining in the sample solutions. An acid dissolution method was used instead, which provided more thorough dissolution of the glasses, although a small amount of undissolved material remained for some of the study glasses. The undissolved material was analyzed to determine those components of the glasses that did not fully dissolve. These components (e.g., calcium and chromium) were present in sufficient quantities to be reported from the measurements resulting from the sodium peroxide fusion preparation method, which did not leave undissolved material. Overall, the analyses resulted in sums of oxides that ranged from about 98 to 101.5 wt % for the study glasses, indicating excellent recovery of all the components in the chemical composition analyses. Comparisons of the targeted and measured chemical compositions indicated that, in general, the measured values for the glasses met the targeted concentrations. Exceptions were Cr 2 O 3 , MgO, and P 2 O 5 . The measured values for Cr 2 O 3 were somewhat low when compared to the targeted values for all of the study glasses targeting Cr 2 O 3 concentrations above 0.5 wt %. Many of the measured MgO and P 2 O 5 values were below the targeted values for those glasses that contained these components. Two of the study glasses exhibited differences from the targeted compositions that may indicate a batching error. Glasses EWG-HAI-Centroid-2 and EWG-OL-1672 had measured values for Al 2 O 3 and SiO 2 that were lower than the targeted values, and measured values for B 2 O 3 that were higher than the targeted values. Glass EWG-HAI-Centroid-2 also had a measured value for Fe 2 O 3 that was lower than the targeted value. A review of the PCT data, including standards and blanks, revealed no issues with the performance of the tests. The PCT results were normalized to both the targeted and measured compositions of the study glasses. Comparisons of the normalized PCT results for both the quenched and Canister Centerline Cooled versions of the study glasses are made with the Environmental Assessment benchmark glass for reference.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Simulation of integrated pollutant removal (IPR) water-treatment system using ASPEN Plus

Capturing CO2 from fossil fuel combustion provides an opportunity for tapping a significant water source which can be used as service water for a capture-ready power plant and its peripherals. Researchers at the National Energy Technology Laboratory (NETL) have patented a process—Integrated Pollutant Removal (IPR®)—that uses off-the-shelf technology to produce a sequestration ready CO2 stream from an oxy-combustion power plant. Water condensed from oxy-combustion flue gas via the IPR system has been analyzed for composition and an approach for its treatment—for in-process reuse and for release—has been outlined. A computer simulation model in ASPEN Plus has been developed to simulate water treatment of flue gas derived wastewater from IPR systems. At the field installation, water condensed in the IPR process contains fly ash particles, sodium (largely from spray-tower buffering) and sulfur species as well as heavy metals, cations, and anions. An IPR wastewater treatment system was modeled using unit operations such as equalization, coagulation and flocculation, reverse osmosis, lime softening, crystallization, and pH correction. According to the model results, 70% (by mass) of the inlet stream can be treated as pure water, the other 20% yields as saleable products such as gypsum (CaSO4) and salt (NaCl) and the remaining portion is the waste. More than 99% of fly ash particles are removed in the coagulation and flocculation unit and these solids can be used as filler materials in various applications with further treatment. Results discussed relate to a slipstream IPR installation and are verified experimentally in the coagulation/flocculation step.

20 FOSSIL-FUELED POWER PLANTS↗

WE-EF-BRA-02: A Monte Carlo Study of Macroscopic and Microscopic Dose Descriptors for Kilovoltage Cellular Dosimetry

Purpose: To investigate how doses to cellular (microscopic) targets depend on cell morphology, and how cellular doses relate to doses to bulk tissues and water for 20 to 370 keV photon sources using Monte Carlo (MC) simulations. Methods: Simulation geometries involve cell clusters, single cells, and single nuclear cavities embedded in various healthy and cancerous bulk tissue phantoms. A variety of nucleus and cytoplasm elemental compositions are investigated. Cell and nucleus radii range from 5 to 10 microns and 2 to 9 microns, respectively. Doses to water and bulk tissue cavities are compared to nucleus and cytoplasm doses. Results: Variations in cell dose with simulation geometry are most pronounced for lower energy sources. Nuclear doses are sensitive to the surrounding geometry: the nuclear dose in a multicell model differs from the dose to a cavity of nuclear medium in an otherwise homogeneous bulk tissue phantom by more than 7% at 20 keV. Nuclear doses vary with cell size by up to 20% at 20 keV, with 10% differences persisting up to 90 keV. Bulk tissue and water cavity doses differ from cellular doses by up to 16%. MC results are compared to cavity theory predictions; large and small cavity theories qualitatively predict nuclear doses for energies below and above 50 keV, respectively. Burlin’s (1969) intermediate cavity theory best predicts MC results with an average discrepancy of 4%. Conclusion: Cellular doses vary as a function of source energy, subcellular compartment size, elemental composition, and tissue morphology. Neither water nor bulk tissue is an appropriate surrogate for subcellular targets in radiation dosimetry. The influence of microscopic inhomogeneities in the surrounding environment on the nuclear dose and the importance of the nucleus as a target for radiation-induced cell death emphasizes the potential importance of cellular dosimetry for understanding radiation effects. Funded by the Natural Sciences and Engineering Research Council of Canada (NSERC), the Canada Research Chairs Program (CRC), and the Ontario Ministry of Training, Colleges and Universities.

60 APPLIED LIFE SCIENCES↗

LATE-TIME EVOLUTION OF COMPOSITE SUPERNOVA REMNANTS: DEEP CHANDRA OBSERVATIONS AND HYDRODYNAMICAL MODELING OF A CRUSHED PULSAR WIND NEBULA IN SNR G327.1-1.1

In an effort to better understand the evolution of composite supernova remnants (SNRs) and the eventual fate of relativistic particles injected by their pulsars, we present a multifaceted investigation of the interaction between a pulsar wind nebula (PWN) and its host SNR G327.1-1.1. Our 350 Chandra X-ray observations of SNR G327.1-1.1 reveal a highly complex morphology: a cometary structure resembling a bow shock, prong-like features extending into large arcs in the SNR interior, and thermal emission from the SNR shell. Spectral analysis of the non-thermal emission offers clues about the origin of the PWN structures, while enhanced abundances in the PWN region provide evidence for a mixing of supernova ejecta with PWN material. The overall morphology and spectral properties of the SNR suggest that the PWN has undergone an asymmetric interaction with the SNR reverse shock (RS), whichcan occur as a result of a density gradient in the ambient medium and/or a moving pulsar that displaces the PWN from the center of the remnant. We present hydrodynamical simulations of G327.1-1.1 that show that its morphology and evolution can be described by a ∼17,000-year-old composite SNR that expanded into a density gradient with an orientation perpendicular to the pulsar’s motion. We also show that the RS/PWN interaction scenario can reproduce the broadband spectrum of the PWN from radio to γ-ray wavelengths. The analysis and modeling presented in this work have important implications for our general understanding of the structure and evolution of composite SNRs.

79 ASTRONOMY AND ASTROPHYSICS↗

THE EFFECT OF METALLICITY-DEPENDENT T-τ RELATIONS ON CALIBRATED STELLAR MODELS

Mixing length theory is the predominant treatment of convection in stellar models today. Usually described by a single free parameter, α, the common practice is to calibrate it using the properties of the Sun, and apply it to all other stellar models as well. Asteroseismic data from Kepler and CoRoT provide precise properties of other stars which can be used to determine α as well, and a recent study of stars in the Kepler field of view found α to vary with metallicity. Interpreting α obtained from calibrated stellar models, however, is complicated by the fact that the value for α depends on the surface boundary condition of the stellar model, or T-τ relation. Calibrated models that use typical T-τ relations, which are static and insensitive to chemical composition, do not include the complete effect of metallicity on α. We use three-dimensional radiation-hydrodynamic simulations to extract metallicity-dependent T-τ relations and use them in calibrated stellar models. We find the previously reported α-metallicity trend to be robust, and not significantly affected by the surface boundary condition of the stellar models.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantifying the effect of tow architecture variability on the performance of biaxially braided composite tubes

Targeted experiments are performed with stereoscopic digital image correlation to quantify the effect of irregular braid structure on the local surface mechanical response of carbon-fiber reinforced epoxy composite tubes. Virtual models comparing both nonuniform and uniform tow structure of the outer braid of each specimen are integrated into numerical simulations similar to experiments. Experimental and numerical results agree well. Statistical tests are used to support correlations between as-manufactured braid variation ranges to local increases in stress up to 18% compared to an ideal, uniform structure in the elastic regime. Results support improved manufacturing and modeling efforts of defect sensitive braided composites.

36 MATERIALS SCIENCE↗

Atmospheric Escape From TOI-700 d: Venus versus Earth Analogs

The recent discovery of an Earth-sized planet (TOI-700 d) in the habitable zone of an early-type M-dwarf by the Transiting Exoplanet Survey Satellite constitutes an important advance. In this Letter, we assess the feasibility of this planet to retain an atmosphere – one of the chief ingredients for surface habitability – over long timescales by employing state-of-the-art magnetohydrodynamic models to simulate the stellar wind and the associated rates of atmospheric escape. We take two major factors into consideration, namely, the planetary atmospheric composition and magnetic field. In all cases, we determine that the atmospheric ion escape rates are potentially a few orders of magnitude higher than the inner Solar system planets, but TOI-700 d is nevertheless capable of retaining a 1 bar atmosphere over gigayear timescales for certain regions of the parameter space. The simulations show that the unmagnetized TOI-700 d with a 1 bar Earth-like atmosphere could be stripped away rather quickly (< 1 gigayear), while the unmagnetized TOI-700 d with a 1 bar CO 2 -dominated atmosphere could persist for many billions of years; we find that the magnetized Earth-like case falls in between these two scenarios. We also discuss the prospects for detecting radio emission of the planet (thereby constraining its magnetic field) and discerning the presence of an atmosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations

In order to show the influence of the interface on structure and dynamics of microphase separated polymer systems, we study interfacially modified AB block copolymers with small molecule penetrants. The polymers have a random midblock or tapered midblock whose composition varies from pure A to pure B (or from pure B to pure A for an inverse taper) between two pure blocks of A and B. We perform simple coarse-grained molecular dynamics simulations of symmetric polymers that form lamellae. With normal tapering, both polymer and penetrant diffusion parallel to the lamellae increases as taper length increases. Inverse tapered polymers exist in different conformational states (e.g. stretched versus folded back and forth across the interface) with different dynamic behavior, leading to non-monotonic trends in their diffusion. However, the local mixing of monomers (rather than polymer conformation) appears to be the most important factor in determining penetrant diffusion.

36 MATERIALS SCIENCE↗

Resilient high-temperature reverse osmosis desalination membranes

Conventional thin-film composite (TFC) reverse osmosis (RO) membranes experience irreversible performance loss at high temperatures, restricting their use in industries with high-temperature streams, including oil and gas, pharmaceuticals, electronics, power generation, food production, and hybrid desalination plants. However, the mechanisms driving the performance decline of TFC membranes at high temperatures remain poorly understood. Herein, we combine controlled experiments, molecular dynamics simulations, and micromechanical modeling to elucidate TFC failure mechanisms and to evaluate thermally resilient thin-film cross-linked (TFX) composite membrane. Upon exposure to elevated temperatures (>60°C), salt rejection of TFC dropped from ~99 to <90%, with irreversible structural damage in the polysulfone layer, confirmed by scanning electron microscopy. In contrast, the TFX membrane maintained ~99% salt rejection and showed no signs of physical degradation up to 80°C. Our combined analyses revealed that TFC membrane failure arises from irreversible pore expansion in the thermoplastic polysulfone support, leading to polyamide film rupture and delamination. TFX membranes resist thermal deformation, enabling ultrahigh-temperature RO desalination and water reuse.

Wu, Jishan [Rice Univ., Houston, TX (United States↗

Low-power, ultrafast, and dynamic all-optical tunable plasmonic analog to electromagnetically induced transparency in two resonators side-coupled with a waveguide system

We theoretically and numerically investigate a low-power, ultrafast, and dynamic all-optical tunable plasmonic analog to electromagnetically induced transparency (EIT) in two nanodisk resonators side-coupled to a metal-insulator-metal plasmonic waveguide system. The optical Kerr effect is enhanced by the slow light effect of the plasmonic EIT-like effect and the plasmonic waveguide based on graphene-Ag composite material structures with giant effective Kerr nonlinear coefficient. The optical Kerr effect modulation method is applied to improve tuning rate with response time of subpicoseconds or even femtoseconds. With dynamically tuning the propagation phase of the plasmonic waveguide, π-phase shift of the transmission spectrum in the plasmonic EIT-like system is achieved under excitation of a pump light with an intensity as low as 5.85 MW/cm{sup 2}. The group delay is controlled between 0.09 and 0.4 ps. All observed schemes are analyzed rigorously through finite-difference time-domain simulations and coupled-mode formalism. Results show a new direction toward the low power consumption and ultrafast responses of integration plasmonic photonic devices and all-optical dynamical storage of light devices in optical communication and quantum information processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Smart Adhesive Joint with High-Definition Fiber-Optic Sensing for Automotive Applications

Structural health monitoring of fiber-reinforced composite-based joints for automotive applications during their manufacturing and on-demand assessment for its durability in working environments is critically needed. High-definition fiber-optic sensing is an effective method to measure internal strain/stress development using minimally invasive continuous sensors. The sensing fiber diameters are in the same order of magnitude when compared to reinforcement (glass, basalt, or carbon fibers) used in polymer composites. They also offer a unique ability to monitor the evolution of residual stresses after repeated thermal exposure with varying temperatures for automotive components/joints during painting using an electrophoretic painting process. In this paper, a high-definition fiber-optic sensor utilizing Rayleigh scattering is embedded within an adhesive joint between a carbon fiber-reinforced thermoset composite panel and an aluminum panel to measure spatially resolved strain development, residual strain, and thermal expansion properties during the electrophoretic paint process-simulated conditions. The strain measured by the continuous fiber-optic sensor was compared with an alternate technique using thermal digital image correlation. The fiber-optic sensor was able to identify the spatial variation of residual strains for a discontinuous carbon fiber-reinforced composite with varying local fiber orientations and resin content.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Geochemical and Geomechanical Effects on Wellbore Cement Fractures

Experimental studies were conducted using batch reactors, X-ray microtomograpy (XMT), and computational fluid dynamics (CFD) simulation to determine changes in cement fracture surfaces, fluid flow pathways, and permeability with geochemical and geomechanical processes. Composite Portland cement-basalt caprock core with artificial fractures was prepared and reacted with CO2-saturated groundwater at 50°C and 10 MPa for 3 to 3.5 months under static conditions to understand the geochemical and geomechanical effects on the integrity of wellbores containing defects. Cement-basalt interface samples were subjected to mechanical stress at 2.7 MPa before the CO2 reaction. XMT provided three-dimensional (3-D) visualization of the opening and interconnection of cement fractures due to mechanical stress. After the CO2 reaction, XMT images revealed that calcium carbonate precipitation occurred extensively within the fractures in the cement matrix, but only partially along fractures located at the cement-basalt interface. The permeability calculated based on CFD simulation was in agreement with the experimentally measured permeability. The experimental results imply that the wellbore cement with fractures is likely to be healed during exposure to CO2-saturated groundwater under static conditions, whereas fractures along the cement-caprock interface are still likely to remain vulnerable to the leakage of CO2. CFD simulation for the flow of different fluids (CO2-saturated brine and supercritical CO2) using a pressure difference of 20 kPa and 200 kPa along ~2 cm-long cement fractures showed that a pressure gradient increase resulted in an increase of CO2 fluids flux by a factor of only ~3-9 because the friction of CO2 fluids on cement fracture surfaces increased with higher flow rate as well. At the same pressure gradient, the simulated flow rate was higher for supercritical CO2 than CO2-saturated brine by a factor of only ~2-3, because the viscosity of supercritical CO2 is much lower than that of CO2-saturated brine. The study suggests that in deep geological reservoirs the geochemical and geomechanical processes have coupled effects on the wellbore cement fracture evolution and fluid flow along the fracture surfaces.

36 MATERIALS SCIENCE↗