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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

NETL Plastic Pipes Project (Final Report)

Plastic or composite pipelines have been the bane of the utility locating industry because they are neither conductive nor magnetic which are the properties traditionally used to locate buried utilities. Ground penetrating radar (GPR) is an effective geophysical tool for locating plastic/composite pipelines where resistive cover allows for adequate penetration of radar energy. However, GPR has limited applicability in areas where the soil cover is conductive due to significant clay and/or salt content. This study examines complementary near-surface geophysical methods that are potentially useful for locating buried plastic/composite pipelines, either singly or in combination. Specifically, this modeling study used computational numerical methods to forward model the response of GPR, resistivity, seismic, gravity gradiometry, and photoacoustic/thermoacoustic imaging methods to plastic/composite pipelines for various scenarios including: (1) pipe diameters ranging between 2 in. to 12 in.; (2) burial depths ranging between 3 ft. to 4 ft.; (3) various degrees in contrast in physical properties (i.e., electrical permittivity, elasticity, resistivity, density); and (4) various experimental acquisition choices (e.g., GPR radar and seismic source frequencies, electrode spacing). Numerical modeling performed herein reconfirmed that GPR is the preferred method for detecting/locating plastic pipelines. A caveat for GPR detection is that the material covering the plastic pipe (trench fill material and adjacent soil) must be sufficiently resistive to allow the two-way propagation to the required depth of investigation and back to the surface. GPR was the only method modeled in this study that can be used to directly detect plastic pipelines of 2-in.-diameter and larger when buried 3-ft-deep. GPR data processing and imaging also can determine pipe depth, pipe diameter, trench dimensions, and moisture conditions. Seismic modeling results suggest that direct detection of a 12-in.-diameter plastic pipe at 3-ft.-depth may be possible under favorable conditions; however, the associated signature would be weak (e.g., surface- to S-wave, backscattered surface-waves, and/or forward scattered surface-waves to S-wave). Direct pipe detection under field conditions with noise and strong lateral geologic heterogeneity is doubtful. Numerical modeling also suggests that plastic pipelines can be indirectly located by detecting the trench in which they are buried. GPR, direct current (DC) resistivity, and seismic methods have the potential to locate the pipeline trench if there is sufficient contrast between the trench-wall and trench-fill materials for the physical property being measured by each method (i.e., electrical permittivity for GPR; resistivity for DC resistivity; or density, compressional velocity, or shear velocity for seismic). Modeling also indicated that currently available (commercial) gravity gradiometers would be unable to directly detect/locate plastic pipelines ≤ 8-in.-diameter when buried 3-ft.-deep given the typical instrument noise floor for field surveying as well as the expected density variations due to geologic heterogeneity. The numerical modeling performed in this project did not identify a universal geophysical technology that can locate buried plastic pipelines in all parts of the United States (although GPR is suggested for all areas with resistive cover). However, the project results suggest that a towed land streamer simultaneously acquiring multiple geophysical data types including multi-offset GPR, multi-channel DC resistivity, seismic geophone- and/or distributed acoustic sensing (DAS), and potentially photoacoustic/thermoacoustic data would be an appropriate platform for locating buried plastic pipeline. Moreover, the complementary multiphysics data acquired by a towed land streamer would permit the use of joint and/or cooperative inversion frameworks for a more rigorous and consistent data interpretation.

42 ENGINEERING↗
DOE OSTI2021

Neutron generation using pyroelectric crystals

According to one embodiment, a method for producing a directed neutron beam includes producing a voltage of negative polarity of at least −100 keV on a surface of a deuterated or tritiated target in response to a temperature change of a pyroelectric crystal of less than about 40° C., the pyroelectric crystal having the deuterated or tritiated target coupled thereto, pulsing a deuterium ion source to produce a deuterium ion beam, accelerating the deuterium ion beam to the deuterated or tritiated target to produce a neutron beam, and directing the ion beam onto the deuterated or tritiated target to make neutrons using at least one of a voltage of the pyroelectric crystal, and a high gradient insulator (HGI) surrounding the pyroelectric crystal. The directionality of the neutron beam is controlled by changing the accelerating voltage of the system. Other methods are presented as well.

Tang, Vincent↗
DOE OSTI2021

A modular methodology for time-domain stochastic seismic wave propagation

Presented here is a modular methodology for time-domain stochastic seismic wave propagation analysis. Presented methodology is designed to analyse uncertain seismic motions as an input, propagating through uncertain material. Traditional approach for uncertain wave propagation relies on models that include deep bedrock, local soil site, and their random process and random field information. Such models can become quite large and computationally intractable. The modular approach proposed herein features two step approach that allows separate consideration of the deep bedrock and local site along with corresponding random field information. In this work, the first step considers an auxiliary stochastic motions problem in the bedrock. Stochastic local site response can then be simulated in a reduced domain within certain depth from the surface. Application of uncertain seismic motions at depth, for local uncertain site response is done using stochastic effective forces developed through the Domain Reduction Method. By using Hermite polynomial chaos expansion to represent the non-Gaussian random field of material parameters and non-stationary random process of seismic motion, the proposed modular methodology is formulated using intrusive stochastic Galerkin approach, as seen in the Stochastic Elastic–Plastic Finite Element Method (SEPFEM). Developed modular methodology is illustrated using a 1-D stochastic seismic wave propagation analysis with three cases, and simulation results are also verified with results from conventional approach.

58 GEOSCIENCES↗
DOE OSTI2021

Identification of Auger mechanisms responsible for low energy electron emission from graphene on copper using Auger-gamma coincidence spectroscopy

We have applied positron annihilation induced Auger-gamma coincidence spectroscopy to identify important mechanisms responsible for the emission of low energy electrons following the sudden creation of holes in bilayer graphene on copper substrate. The novel surface spectroscopic method measures the energy of the Doppler shifted annihilation gamma photon in coincidence with the Auger electron emitted following the relaxation of the hole created by the annihilation of a surface electron with a surface trapped positron. By extracting and theoretically modelling the annihilation gamma spectra coincident with low energy electrons, we associate majority of the intensity in the low energy (7 eV–25 eV) region of the Auger spectrum to electron emission following Auger decays of 2s holes in adsorbed oxygen and deep valence holes in graphene. We provide additional support to this conclusion by showing that most of the Auger electrons with energy less than ~ 25 eV are coincident with gamma photons with small Doppler shift (511 keV–512 keV) indicating that the primary electron whose annihilation resulted in low energy Auger electron emission had small momentum parallel to the gamma emission direction. On the other hand, majority of the Auger electrons measured in coincidence with the photons having maximum Doppler shift (515 keV–521 keV) were emitted following the decay of core holes (C 1s and O 1s). Furthermore, by selecting annihilation gamma photons coincident only with the O KVV (from surface adsorbed oxygen), C KVV (graphene), and Cu MVV (copper substrate) Auger electrons, we have also experimentally derived the energy spectrum of Doppler shifted gamma photons resulting from the annihilation of positrons with 1s electrons of O, 1s electrons of C and 3p electrons of Cu respectively. Model Doppler broadened gamma spectra produced using ab-initio calculations agree well with the experimentally derived line shapes. This demonstrates the ability of Auger-gamma coincidence method to experimentally resolve the Doppler broadened annihilation gamma spectrum from surfaces into its veiled electronic level constituents which has, heretofore, relied solely on theoretical analysis. Our results also demonstrate that the line shape of the Doppler broadened annihilation gamma peak reflect the chemical composition of the topmost atomic layer and can thus be used to characterize both external and inaccessible surfaces of porous materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Surface coating by mechanofusion modulates bulk charging pathways and battery performance of Ni-rich layered cathodes

Ni-rich layered oxides as high-capacity battery cathodes suffer from degradation at high voltages. Here, we utilize a dry surface modification method, mechanofusion (MF), to achieve enhanced battery stability. The simplicity, high yield, and flexibility make it cost-effective and highly attractive for processing at the industrial scale. The underlying mechanisms responsible for performance improvement are unveiled by a systematic study combining multiple probes, e.g., 3D nano-tomography, spectroscopic imaging, in situ synchrotron diffraction, and finite element analysis (FEA). MF affects the bulk crystallography by introducing partially disordered structure, microstrain, and local lattice variation. Furthermore, the crack initiation and propagation pattern during delithiation are regulated and the overall mechanical fracture is reduced after such surface coating. We validate that MF can alter the bulk charging pathways. Such a synergic effect between surface modification and bulk charge distribution is fundamentally important for designing next-generation battery cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2021

Spectral Induced Polarization-Biogeochemical Relationships for Remediation Amendment Monitoring

Geophysical tools such as electrical resistivity (ER) can indirectly monitor subsurface changes in response to remedial injections. These methods exhibit relatively low spatial resolution compared to sediment core characterization but are advantageous due to the ability to collect measurements non-intrusively over time across large volumes of the subsurface. Moreover, along with confirmatory groundwater or core sampling, geophysical methods can be used during active biogeochemical remedies to monitor short-term contaminant transformations and mobility, as well as part of an overall strategy for long-term monitoring of subsurface contaminated sites. The use of alternating current spectral induced polarization (SIP) provides significantly more information than conventional geophysical methods like direct current ER. SIP allows for monitoring changes in both solution and surface conductivity by separation of real and imaginary conductivity, respectively, as well as surface capacitance. In principle, SIP can measure indicators of remedy progression such as precipitation reactions that sequester contaminants, potentially providing a better indication of amendment delivery and reactivity as compared to conventional ER methods. However, multiple processes and material properties have overlapping (interacting) electrical responses across a range of frequencies. Hence, the purpose of this scoping study was to evaluate if SIP can be used to monitor (a) amendment delivery and (b) precipitation and reactivity of amendments under consideration at Hanford. SIP measurements were collected in fully saturated columns packed with sand and Hanford formation sediments containing (a) amendments that were highly conductive with significant capacitance (zero valent iron – ZVI, sulfur modified iron – SMI) and (b) amendments that exhibited low electrical conductivity with a small capacitance (calcite, apatite, bismuth). The sand was a quartz material with homogenous particle size that exhibited a relatively low surface conductivity. It was used as a control for comparison with the sediments from the Hanford Site, which have a greater surface conductivity because of their complex mineralogy and heterogeneous particle size distribution and may have complex interactions with amendments. The amendment mass fraction was varied to represent the different stages and subsurface locations associated with the delivery of a remedy. The primary objective was to identify the solution and solid surface changes associated with the delivery amendments and their secondary reactions within the subsurface. The figure below summarizes results for the amendments tested through this project. The SIP phase shift or imaginary conductivity change for the high conductivity amendments was more than 10 times that of the low conductivity amendments, highlighting the relative ease of detection of ZVI and SMI independent of the background signal from sand or Hanford sediments. The ZVI phase shift and imaginary conductivity changes occur primarily at high frequency (> 100 Hz) whereas SMI changes were at low frequency (0.01 to 10 Hz). SIP signals of SMI also increased over time and the maximum shifted to lower frequencies. The low conductivity amendments (calcite, abiotic and biotic apatite, bismuth subnitrate) exhibited relatively small phase and imaginary conductivity changes when added to sediments. The changes were above minimum detection limits (0.5 mrad for phase shift, 0.03 µS/cm for imaginary conductivity) for the highest concentration except for the commercial bismuth material. The lowest amendment concentration that can be detected is likely sediment specific, as minerals in sediments (clays, magnetite, Fe-oxides) have some capacitance and, therefore, exhibit a variable phase shift.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Biocompatible Co–P Metallic Glasses with Superior Degradation Tolerance in Physiological Environments

Metallic glasses represent a class of metallic alloys with a fully amorphous structure and attractive properties, making them promising in bioimplant applications. Here, the degradation tolerance of biocompatible cobalt–phosphorus (Co–P) metallic glasses was studied in a simulated physiological environment. The metallic glasses were synthesized in the form of coatings through a facile electrodeposition approach. This method utilizes their outstanding surface characteristics and bypasses the size limitations usually associated with their bulk counterparts. Further, the Co–P alloys showed exceptional tribological response with ~14% lower coefficient of friction and 2 orders of magnitude lesser wear rate compared to SS316 stainless steel. In addition, the Co–P alloys showed a 3 times higher hardness and 4 times higher hardness/modulus ratio compared to SS316, indicating better elastic recovery under dynamic shear stresses that are common in load-bearing bioimplants. The Co–P metallic glasses exhibited excellent hemocompatibility and cytocompatibility in terms of lower platelet adhesion, spreading, and aggregation, a hemolysis ratio lower than 1%, and enhanced surface wettability, suggesting a superlative performance in bioimplant applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Online Monitoring System for Concrete Structures Affected by Alkali-Silica Reaction

This report presents a comprehensive study of developing ultrasonic wave and acoustic emission (AE) techniques for long-term monitoring of alkali-silica reaction (ASR) development in concrete. Small, medium, and full-scale concrete specimens were cast, conditioned, and monitored for various periods, from at least one year to 2.4 years. The reactive concrete specimens contain coarse or fine reactive aggregates to study the effects of different types of reactive aggregates. Confinements were also designed to simulate the 2-dimensional confinement effects of reinforcement in the shield building of nuclear power plants. The concrete specimens were stored in a environmental chamber with high humidity and high temperature to accelerate the ASR development. The ultrasonic monitoring data shows high sensitivity to ASR development and could detect cracking initiation well before visible surface cracks occurred. However, the linear ultrasonic analysis based on wave velocity is strongly affected by temperature variation. Therefore, a nonlinear ultrasonic method was proposed to measure thermally induced nonlinear acoustic responses of concrete (thermal modulation of ultrasonic wave). The measured nonlinear acoustic parameter shows a high correlation with ASR expansion across specimens with different reactive aggregates and confinement conditions. The same conclusion was obtained from nonlinear resonance tests on small concrete prisms. Compared to the linear acoustic methods, the nonlinear tests show high sensitivities to ASR damage from internal microcracking initiation at the early stage to visible cracks at the late stage of ASR. The attributes of the thermal modulation of nonlinear ultrasonic method include high sensitivity, immunity to temperature effects, and strong correlation with ASR expansion, which demonstrate great potentials of the nonlinear ultrasonic method for diagnosis of ASR damage and prediction of concrete deterioration process. Acoustic emission is a passive sensing technique for damage assessment, and access to only one surface is needed even for thick and heavily reinforced elements such as the walls utilized for nuclear shield building. Additionally, relatively few sensors are required to monitor the progression of the damage process. Results indicate that the AE data can be related to the damage rating index, which is a petrography-based means of assessing damage due to ASR in reinforced concrete. Furthermore, AE is capable of detecting ASR damage long before surface cracking is visually noticeable. Boundary conditions play in important role in the progression of ASR damage and differences in boundary conditions are reflected in the AE data. Entropy based data assessment methods provide a means to assess the damage state, and convolutional neural network based data assessment provided a means to assess the damage state in real-time. Results indicate that artificial neural network models may be used as a means to predict volumetric expansion based on AE data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Apparatuses and methods involving thermally tuned composite material

An apparatus includes a substrate, at least one type of tuning material, and a composite material. The substrate has an interface surface or material that manifests, in response to light in a color spectrum, a particular color and a first thermal load. The particular color is associated with the first thermal load. The at least one type of tuning material manifests, in response to light in the color spectrum, the particular color and a second thermal load. The particular color is associated with the second thermal load. The first thermal load is different from the second thermal load. The composite material includes the interface surface or material and the at least one type of tuning material. The composite material manifests, in response to light in the color spectrum, the particular color and a tuned thermal load which is different than the first thermal load and the second thermal load.

Li, Wei↗
DOE OSTI2024

Multiscale embedded printing of engineered human tissue and organ equivalents

Creating tissue and organ equivalents with intricate architectures and multiscale functional feature sizes is the first step toward the reconstruction of transplantable human tissues and organs. Existing embedded ink writing approaches are limited by achievable feature sizes ranging from hundreds of microns to tens of millimeters, which hinders their ability to accurately duplicate structures found in various human tissues and organs. In this study, a multiscale embedded printing (MSEP) strategy is developed, in which a stimuli-responsive yield-stress fluid is applied to facilitate the printing process. A dynamic layer height control method is developed to print the cornea with a smooth surface on the order of microns, which can effectively overcome the layered morphology in conventional extrusion-based three-dimensional bioprinting methods. Since the support bath is sensitive to temperature change, it can be easily removed after printing by tuning the ambient temperature, which facilitates the fabrication of human eyeballs with optic nerves and aortic heart valves with overhanging leaflets on the order of a few millimeters. The thermosensitivity of the support bath also enables the reconstruction of the full-scale human heart on the order of tens of centimeters by on-demand adding support bath materials during printing. Here, the proposed MSEP demonstrates broader printable functional feature sizes ranging from microns to centimeters, providing a viable and reliable technical solution for tissue and organ printing in the future.

3D bioprinting↗
DOE OSTI2023

Neutron generation using pyroelectric crystals

A method for producing a neutrons includes producing a voltage of negative polarity of at least −100 keV on a surface of a deuterated or tritiated target in response to a temperature change of a pyroelectric crystal of less than about 40° C., the pyroelectric crystal having the deuterated or tritiated target coupled thereto, pulsing a deuterium ion source to produce a deuterium ion beam, accelerating the deuterium ion beam to the deuterated or tritiated target, and directing the ion beam onto the deuterated or tritiated target to make neutrons using at least one element of the following: a voltage of the pyroelectric crystal and a high gradient insulator (HGI) surrounding the pyroelectric crystal. The accelerating of the deuterium ion beam is achieved by using an ion accelerating mechanism comprising a pyroelectric stack accelerator having a first thermal altering mechanism for changing a temperature of the pyroelectric stack accelerator.

Tang, Vincent↗
DOE OSTI2024

Gradient-based surface nuclear magnetic resonance for groundwater investigation

In medical magnetic resonance imaging, spatial localization (imaging) is based upon the application of controlled magnetic field gradients on top of the main magnetic field to spatially modulate the frequency and/or phase of the nuclear magnetic resonance (NMR) signal across the volume of investigation. In this work, we have applied similar physical principles to produce controlled magnetic field gradients during surface NMR-based groundwater investigations. In this approach, a gradient pulse of variable amplitude or duration is applied immediately after the excitation pulse to cause predictable phase encoding of the NMR signal as a function of depth. This approach is also applicable to emerging surface NMR detection methods that use a prepolarization field with fast nonadiabatic turn-off to generate detectable NMR signals from the shallow subsurface. In this case, the gradient pulse is applied after terminating the prepolarization field and provides a heretofore unavailable means of localizing the NMR response as a function of depth. The application of gradients can also be combined with tip-angle-based modulation to yield higher imaging resolution than can be achieved through either gradient- or tip-angle-based imaging alone. We implemented this new gradient-based capability into a surface NMR gradient generation accessory that is compatible with the GMR-Flex instrument and developed surface NMR-specific forward modeling and linear inverse models. We validated the accuracy of this novel gradient-based sNMR technology using computer simulations, experiments using a small pool filled with a discrete layer of bulk water, and field experiments at well-characterized groundwater test sites along Ebey Island, WA, and Larned, KS. The gradient-based sNMR imaging observations were compared with high-resolution direct push NMR results observed at these sites. The results of computer simulations and field experiments indicate improvements in both the detection (signal-to-noise ratio) and spatial resolution of shallow subsurface water content using gradient-based surface NMR, compared with traditional surface NMR imaging methods.

Geochemistry & Geophysics↗
DOE OSTI2023

Merging flux-variance with surface renewal methods in the roughness sublayer and the atmospheric surface layer

In this article, Two micrometeorological methods utilizing high-frequency sampled air temperature were tested against eddy covariance (EC) sensible heat flux (𝐻) measurements at three sites representing agricultural, agro-forestry, and forestry systems. The two methods cover conventional and newly proposed forms of the flux-variance (FV) and surface renewal (SR) schemes of differing complexities. The sites represent measurements in surface, roughness, and roughness to surface transitional layers. Regression analyzes against EC show that the most reliable FV and SR forms estimate 𝐻 with slopes within ±10% from unity and coefficient of determination 𝑅2 > 0.9 across all the three sites. The best performance of both FV and SR was found at the agricultural site with measurements well within the surface layer, while the worst was found for the tall forest with measurements within the roughness sublayer where its thickness needed to be additionally estimated. The main variable driving 𝐻 in FV is the temperature variance, whereas in SR, it is the geometry of ramp-like structures. Since these structures are also responsible for most of the temperature variance, a novel FV-SR approach emerging from combining the methods is proposed and evaluated against EC measurements and conventional FV and SR schemes. The proposed FV-SR approach requiring only a single fast response thermocouple is potentially independent of calibration and ameliorates some of the theoretical objections that arise when combining ramp statistics with similarity arguments. The combination of methods also provides new insights into the contribution of coherent structures to the temperature variance and its dependence on atmospheric stratification. Other potential utility of the new method is to include it in multi-tool assessments of surface energy fluxes, since a convergence or divergence of the results has a high diagnostic value.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Hierarchically structured metal carbides as conductive fillers in thermo-responsive polymer nanocomposites for battery safety

Integrating thermo-responsive polymer switching materials (TRPS) into lithium-ion batteries (LIBs) has been recognized as one of the most effective strategies to prevent thermal runaway under various abuse scenarios. However, the current methods to obtain TRPS cannot satisfy different practical applications. Herein, we develop a versatile strategy for the preparation of various metal carbides (e.g., tungsten carbide, molybdenum carbide) with controllable hierarchical structure that is featured with surface protrusion structure, which is critical for high conductivity and rapid thermal response. Systematic studies of the phase and morphology evolutions by advanced characterizations illustrate that the reducing agent and reduction rate are critical for developing the specific morphology. In conclusion, by using the above-mentioned carbides as the conductive fillers of TRPS, the resulting TRPS with a specially controlled shape exhibits over 5 order of conductivity improvement compared with common carbides with particulate morphology, in addition to reversible shutdown performance and effective thermal abuse protections toward safe LIB operation.

25 ENERGY STORAGE↗
DOE OSTI2022

SREMI: Super-resolution electromagnetic imaging with single-channel ground-penetrating radar

High-resolution near-surface imaging has important applications in civil engineering, infrastructure inspection, military threat detection, geological characterization, and lunar and planetary exploration. Zero-offset, singlechannel ground penetrating radar (GPR) imaging is an established technique for near-surface target imaging and sensing but often suffers from low spatial resolution and imaging artifacts, especially of deep structures. In response, we formulate the GPR imaging as a dual-sparsity optimization problem, and develop a super-resolution electromagnetic imaging method based on a fast iterative shrinkage-thresholding algorithm. We develop our GPR imaging method in the framework of electromagnetic exploding-reflectors simulation theory, therefore the imaging method is computationally efficient. In this work, we demonstrate through synthetic and field data examples that our method can produce sharper, more reliable images with fewer artifacts compared with single-pass reverse-time migration GPR method, thus leading to improved near-surface interpretation and object identification.

58 GEOSCIENCES↗
DOE OSTI2020

Solid Cylinder Torsion for Large Shear Deformation and Failure of Engineering Materials

Using a thin-walled tube torsion test to characterize a material’s shear response is a well-known technique; however, the thin walled specimen tends to buckle before reaching large shear deformation and failure. An alternative technique is the surface stress method (Nadai 1950; Wu et al. J Test Eval 20:396–402, 1992), which derives a shear stress-strain curve from the torque-angular displacement relationship of a solid cylindrical bar. The solid bar torsion test uniquely stabilizes the deformation which allows us to control and explore very large shear deformation up to failure. However, this method has rarely been considered in the literature, possibly due to the complexity of the analysis and experimental issues such as twist measurement and specimen uniformity.

42 ENGINEERING↗
DOE OSTI2023

Impedance Response Influenced by Variability in the Random Distribution of Physical Properties of Coated Materials in Two-Dimensional Space

Heterogeneous physical characteristics of a system featuring a single-layer film on a metallic surface have been explored via its impedance response. The Nyquist plot showed a distorted semicircle, indicative of the system's unique distribution characteristics. Utilizing a copula-based probability method, a two-dimensional deterministic impedance model was successfully integrated, accounting for spatial physical properties such as permittivity and electrical conductivity. This strategy enabled in-depth exploration and mechanistic quantification of a broad spectrum of properties. A quantitative understanding of impedance signal alterations, characterized by normally or log-normally correlated variables, was achieved through the variation in aspect ratio and characteristic frequency of the impedance spectra. Log-normally distributed electrical properties provided a superior representation of the distorted impedance spectra. As coefficient of variation (CV) values fluctuated, the aspect ratio and characteristic frequency showed heightened sensitivity to log-normal permittivity compared to log-normal electrical conductivity. Notably, a marked positive linear correlation between electrical properties resulted in an impedance response that approximated perfect semicircular spectra. The variability in the electrical properties' distribution was demonstrated by considering the correlation coefficient between electrical conductivity and the z-direction position. Furthermore, the highest aspect ratio of the impedance spectra was observed when the electrical conductivity was randomly distributed across the z-direction space.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Piezoelectric response and failure behavior of cement paste under external loading

We study the elastic behavior and rupture mechanism of Calcium Silicate Hydrates (C-S-H) in response to tensile loading. For the three tensile axes, initial defects are spotted in the interlayer regions. However, the crack propagation is rather different depending on the axis of tensile. The cup-and-cone failure surface shows the ductile feature of C-S-H in the x and y directions; while the devastating rupture mode confirms the brittle feature of C-S-H in the z direction. Piezoelectricity was investigated using the charge fluctuation method. The polarization variation in response to small strain was also investigated and piezoelectric coefficients were derived. Furthermore, dependence of elastic and piezoelectric properties over external pressure was analyzed. Results reveal an improvement of the mechanical properties and the ultimate strength especially in the z direction; whereas the non-piezoelectricity remains unchanged despite the rearrangement of atoms induced by the external applied pressure.

36 MATERIALS SCIENCE↗