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Reactive transport modeling and characterization of concrete materials with fly ash replacement under carbonation attack - 15477

There currently lacks sufficient knowledge to accurately characterize structural, hydraulic, and chemical performance of cementitious materials that are required to contain and shield nuclear waste for thousands of years. There are a number of degradation methods that can affect the integrity of these materials over this time frame including carbonation which lowers the alkalinity of the material and can induce cracking in materials with steel reinforcement. The rate and extent of carbonation in these materials is impacted by the addition of fly ash and its composition which can vary depending on the fly ash source. To characterize the carbonation reaction, the changes in the microstructure and elemental distribution as a function of extent of carbonation and fly ash type were evaluated using scanning electron microscopy (SEM) coupled with energy dispersive x-ray spectroscopy (EDS). Micro-concretes were prepared with no fly ash (control case) and with fly ash of various calcium compositions. The progression of the carbonation front was observed in the backscattered electron images by the formation of calcium carbonate and depth was confirmed with a phenolphthalein pH indicator test. The migration and deposition of chemical species were observed in carbonated regions from EDS data and were explained based on the changes in material alkalinity and solubility determined from EPA Method 1313 (Liquid-solid partitioning (LSP) as a function of eluate pH). The changes in mass transport properties from carbonation were observed using EPA Method 1315 (Mass transfer rates in monolithic and compacted granular materials using semi-dynamic tank leaching procedures). The carbonation reaction in each material was simulated using LeachXS/ORCHESTRA, a reactive transport modeling tool, which provided further evidence of localized deposition and migration of chemical species due to changes in speciation and solubility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

THE NuSTAR EXTRAGALACTIC SURVEY: A FIRST SENSITIVE LOOK AT THE HIGH-ENERGY COSMIC X-RAY BACKGROUND POPULATION

We report on the first 10 identifications of sources serendipitously detected by the Nuclear Spectroscopic Telescope Array (NuSTAR) to provide the first sensitive census of the cosmic X-ray background source population at {approx}> 10 keV. We find that these NuSTAR-detected sources are Almost-Equal-To 100 times fainter than those previously detected at {approx}> 10 keV and have a broad range in redshift and luminosity (z = 0.020-2.923 and L{sub 10-40{sub keV}} Almost-Equal-To 4 Multiplication-Sign 10{sup 41}-5 Multiplication-Sign 10{sup 45} erg s{sup -1}); the median redshift and luminosity are z Almost-Equal-To 0.7 and L{sub 10-40{sub keV}} Almost-Equal-To 3 Multiplication-Sign 10{sup 44} erg s{sup -1}, respectively. We characterize these sources on the basis of broad-band Almost-Equal-To 0.5-32 keV spectroscopy, optical spectroscopy, and broad-band ultraviolet-to-mid-infrared spectral energy distribution analyses. We find that the dominant source population is quasars with L{sub 10-40{sub keV}} > 10{sup 44} erg s{sup -1}, of which Almost-Equal-To 50% are obscured with N{sub H} {approx}> 10{sup 22} cm{sup -2}. However, none of the 10 NuSTAR sources are Compton thick (N{sub H} {approx}> 10{sup 24} cm{sup -2}) and we place a 90% confidence upper limit on the fraction of Compton-thick quasars (L{sub 10-40{sub keV}} > 10{sup 44} erg s{sup -1}) selected at {approx}> 10 keV of {approx}< 33% over the redshift range z = 0.5-1.1. We jointly fitted the rest-frame Almost-Equal-To 10-40 keV data for all of the non-beamed sources with L{sub 10-40{sub keV}} > 10{sup 43} erg s{sup -1} to constrain the average strength of reflection; we find R < 1.4 for {Gamma} = 1.8, broadly consistent with that found for local active galactic nuclei (AGNs) observed at {approx}> 10 keV. We also constrain the host-galaxy masses and find a median stellar mass of Almost-Equal-To 10{sup 11} M{sub Sun }, a factor Almost-Equal-To 5 times higher than the median stellar mass of nearby high-energy selected AGNs, which may be at least partially driven by the order of magnitude higher X-ray luminosities of the NuSTAR sources. Within the low source-statistic limitations of our study, our results suggest that the overall properties of the NuSTAR sources are broadly similar to those of nearby high-energy selected AGNs but scaled up in luminosity and mass.

79 ASTRONOMY AND ASTROPHYSICS↗

Nonnegative tensor factorization for contaminant source identification

Unsupervised Machine Learning (ML) is becoming increasingly popular for solving various types of data analytics problems including feature extraction, blind source separation, exploratory analyses, model diagnostics, etc. In this work, we have developed a new unsupervised ML method based on Nonnegative Tensor Factorization (NTF) for identification of the original groundwater types (including contaminant sources) present in geochemical mixtures observed in an aquifer. Frequently, groundwater types with different geochemical signatures are related to different background and/or contamination sources. The characterization of groundwater mixing processes is a challenging but very important task critical for any environmental management project aiming to characterize the fate and transport of contaminants in the subsurface and perform contaminant remediation. This task typically requires solving complex inverse models representing groundwater flow and geochemical transport in the aquifer, where the inverse analysis accounts for available site data. Usually, the model is calibrated against the available data characterizing the spatial and temporal distribution of the observed geochemical types. Numerous different geochemical constituents and processes may need to be simulated in these models which further complicates the analyses. Additionally, the application of inverse methods may introduce biases in the analyses through the assumptions made in the model development process. Here, we substitute the model inversion with unsupervised ML analysis. The ML analysis does not make any assumptions about underlying physical and geochemical processes occurring in the aquifer. Our ML methodology, called NTFk, is capable of identifying (1) the unknown number of groundwater types (contaminant sources) present in the aquifer, (2) the original geochemical concentrations (signatures) of these groundwater types and (3) spatial and temporal dynamics in the mixing of these groundwater types. These results are obtained only from the measured geochemical data without any additional site information. In general, the NTFk methodology allows for interpretation of large high-dimensional datasets representing diverse spatial and temporal components such as state variables and velocities. NTFk has been tested on synthetic and real-world site three-dimensional datasets. Finally, the NTFk algorithm is designed to work with geochemical data represented in the form of concentrations, ratios (of two constituents; for example, isotope ratios), and delta notations (standard normalized stable isotope ratios).

58 GEOSCIENCES↗

The Gaia EDR3 view of Johnson-Kron-Cousins standard stars: the curated Landolt and Stetson collections

In the era of large surveys and space missions, it is necessary to rely on large samples of well-characterized stars for inter-calibrating and comparing measurements from different surveys and catalogues. Among the most employed photometric systems, the Johnson-Kron-Cousins has been used for decades and for a large amount of important datasets. Our goal is to profit from the Gaia EDR3 data, Gaia official cross-match algorithm, and Gaia -derived literature catalogues, to provide a well-characterized and clean sample of secondary standards in the Johnson-Kron-Cousins system, as well as a set of transformations between the main photometric systems and the Johnson-Kron-Cousins one. Using Gaia as a reference, as well as data from reddening maps, spectroscopic surveys, and variable stars monitoring surveys, we curated and characterized the widely used Landolt and Stetson collections of more than 200 000 secondary standards, employing classical as well as machine learning techniques. In particular, our atmospheric parameters agree significantly better with spectroscopic ones, compared to other machine learning catalogues. We also cross-matched the curated collections with the major photometric surveys to provide a comprehensive set of reliable measurements in the most widely adopted photometric systems. We provide a curated catalogue of secondary standards in the Johnson-Kron-Cousins system that are well-measured and as free as possible from variable and multiple sources. We characterize the collection in terms of astrophysical parameters, distance, reddening, and radial velocity. We provide a table with the magnitudes of the secondary standards in the most widely used photometric systems (ugriz, grizy, Gaia , HIPPARCOS, Tycho , 2MASS). We finally provide a set of 167 polynomial transformations, valid for dwarfs and giants, metal-poor and metal-rich stars, to transform UBVRI magnitudes in the above photometric systems and vice-versa.

79 ASTRONOMY AND ASTROPHYSICS↗

Integrated Analyses of Multiple Worldwide Aerosol Mass Spectrometer Datasets for Improved Understanding of Aerosol Sources and Processes and for Comparison with Global Models

The AMS is the only current instrument that provides real-time, quantitative, and size-resolved data on submicron non-refractory aerosol species with a time resolution of a few minutes or better. The AMS field data are multidimensional and massive, containing extremely rich information on aerosol chemistry, microphysics and dynamics—basic information that is required to evaluate and quantify the radiative climate forcing of atmospheric aerosols. The high time resolution of the AMS data also reveals details of aerosol dynamic variations that are vital to understanding the physico-chemical processes of atmospheric aerosols that govern aerosol properties relevant to the climate. There are two primary objectives of this 3-year project. Our first objective is to perform highly integrated analysis of dozens of AMS datasets acquired from various urban, forested, coastal, marine, mountain peak, and rural/remote locations around the world and synthesize and inter-compare results with a focus on the sources and the physico-chemical processes that govern aerosol properties relevant to aerosol climate forcing. Our second objective is to support our collaboration with global aerosol modelers, in which we will supply the size-resolved aerosol composition and temporal variation data (via a public web interface) and our analysis results for use in model testing and validation and for translation of the rich AMS database into model constraints that can improve climate forcing simulations. Several prominent global aerosol modelers have expressed enthusiastic support for this collaboration. The specific tasks that we propose to accomplish include 1) to develop, validate, and apply multivariate analysis techniques for improved characterization and source apportionment of organic aerosols; 2) to evaluate aerosol source regions and relative contributions based on back-trajectory integration (PSCF method); 3) to summarize and synthesize submicron aerosol information, including composition, concentration, size distribution and (inferred) shape and mixing state in various environments and their regional and seasonal variations within the context of regional and global modeling; and 4) to quantitatively evaluate important processes in various atmospheric environments and during different seasons, focusing on acid-catalyzed SOA formation, new particle growth, and photochemical processes of atmospheric organic aerosols (i.e., SOA production and POA oxidation). We will also examine the correlations and compile the ratios between important pairs of aerosol and gas phase species using region-specific and season-specific correlations and as a function of photochemical age and compare them with the ratios produced by various models. To enable our collaborations with the modelers, we will supply (via a public web interface) AMS data and our analysis results for use in model testing and validation and facilitate the use of the AMS information to constrain calculations of radiative forcing. Model output and AMS measurements and derived parameters will be compared with a focus on regional variability of model/measurement discrepancies and their causes. Finally we will share results, insights and data mining algorithms through peer-reviewed publications, presentations/tutorials at conferences/workshops, and web dissemination of analysis results and in-house developed software packages.

58 GEOSCIENCES↗

Examining the Characteristics of the Cropland Data Layer in the Context of Estimating Land Cover Change

The United States Department of Agriculture (USDA) Cropland Data Layer (CDL) provides spatially explicit information about crop production area and has served as a prevalent data source for characterizing cropland change in the U.S. in the last decade. Understanding the accuracy of the CDL is paramount because of the reliance on it for management and policy making. This study examined the characteristics of the CDL from 2007 to 2017 using comparisons to other USDA datasets. The results showed when examining the cropland area for the same year, the CDL produced comparable trends with other datasets (R 2 > 0.95), but absolute area differed. The estimated area of cropland changes from 2007 to 2012, 2008 to 2012 and 2012 to 2017 varied from weak to moderate correlation between the CDL and the tabular data (R 2 = 0.005~0.63). Differences in area of cropland change varied widely between data sources with the CDL estimating much larger change area. A series of image processing techniques designed to improve the confidence in cropland change estimated using the CDL reduced the area of estimated cropland change. The techniques also, unexpectedly, lowered the correlation in change estimated between the CDL and the tabular datasets. Estimated land cover change area varied widely based on analyses applied and could reverse from increasing to declining area in cropland. Further analyses showed unlikely change scenarios when comparing different year combinations. The authors recommend the CDL only be used for land cover change analysis if the error can be estimated and is within change estimates.

58 GEOSCIENCES↗

Detecting lightning infrasound using a high-altitude balloon

Acoustic waves with a wide range of frequencies are generated by lightning strokes during thunderstorms, including infrasonic waves (0.1 to 20 Hz). The source mechanism for these low frequency acoustic waves is still debated and studies have so far been limited to ground–based instruments. Here we report the first confirmed detection of lightning generated infrasound with acoustic instruments suspended at stratospheric altitudes using a free–flying balloon. We observe high–amplitude signals generated by lightning strokes located within 100 km of the balloon as it flew over the Tasman Sea on 17 May 2016. The signals share many characteristics with waveforms recorded previously by ground–based instruments near thunderstorms. The ability to measure lightning activity with high–altitude infrasound instruments has demonstrated the potential for using these platforms to image the full acoustic wavefield in the atmosphere. In conclusion, it validates the use of these platforms for recording and characterizing infrasonic sources located beyond the detection range of ground–based instruments.

54 ENVIRONMENTAL SCIENCES↗

Electron beam coupling to a metamaterial structure

Microwave metamaterials have shown promise in numerous applications, ranging from strip lines and antennas to metamaterial-based electron beam driven devices. In general, metamaterials allow microwave designers to obtain electromagnetic characteristics not typically available in nature. High Power Microwave (HPM) sources have in the past drawn inspiration from work done in the conventional microwave source community. In this article, the use of metamaterials in an HPM application is considered by using an effective medium model to determine the coupling of an electron beam to a metamaterial structure in a geometry similar to that of a dielectric Cerenkov maser. Use of the effective medium model allows for the analysis of a wide range of parameter space, including the “mu-negative,”“epsilon-negative,” and “double negative” regimes of the metamaterial. The physics of such a system are modeled analytically and by utilizing the particle-in-cell code ICEPIC. For this geometry and effective medium representation, optimum coupling of the electron beam to the metamaterial, and thus the optimum microwave or RF production, occurs in the epsilon negative regime of the metamaterial. Given that HPM tubes have been proposed that utilize a metamaterial, this model provides a rapid method of characterizing a source geometry that can be used to quickly understand the basic physics of such an HPM device.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characterization of tsunamigenic earthquake in Java region based on seismic wave calculation

This study is to characterize the source mechanism of tsunamigenic earthquake based on seismic wave calculation. The source parameter used are the ratio (Θ) between the radiated seismic energy (E) and seismic moment (M{sub o}), moment magnitude (M{sub W}), rupture duration (T{sub o}) and focal mechanism. These determine the types of tsunamigenic earthquake and tsunami earthquake. We calculate the formula using the teleseismic wave signal processing with the initial phase of P wave with bandpass filter 0.001 Hz to 5 Hz. The amount of station is 84 broadband seismometer with far distance of 30° to 90°. The 2 June 1994 Banyuwangi earthquake with M{sub W}=7.8 and the 17 July 2006 Pangandaran earthquake with M{sub W}=7.7 include the criteria as a tsunami earthquake which distributed about ratio Θ=−6.1, long rupture duration To>100 s and high tsunami H>7 m. The 2 September 2009 Tasikmalaya earthquake with M{sub W}=7.2, Θ=−5.1 and To=27 s which characterized as a small tsunamigenic earthquake.

58 GEOSCIENCES↗

Depletion-driven thermochemistry of molten salt reactors: review, method, and analysis

Molten salt reactors (MSRs) are innovative advanced nuclear reactors that utilize nuclear fuel by dissolving it in a high-temperature liquid salt. This unique feature differentiates MSRs from other types of reactors and allows for enhanced safety and economic performance. The liquid fuel also entails several multiphysics effects that can complicate reactor design and operation. One primary effect termed here as depletion-driven thermochemistry is a driving force in altering the multiphysics behavior of the reactor. Essentially, depletion-driven thermochemistry is the effect that fuel depletion has on changing the chemical redox potential of the fuel salt over time. As the fuel is consumed, the redox potential shifts toward a more oxidizing state. Without active control, the changing chemistry due to depletion increases corrosion thereby limiting reactor component lifetimes. Additionally, the changing redox potential of the fuel salt alters the vapor pressures of chemical species dissolved in the fuel salt. Changing vapor pressures of species in the fuel salt is an important parameter to understand when off-gassing volatile species during normal reactor operation, and for source term characterization during accident scenario transients. The present work represents a fundamental step toward modeling and coupling the driving physics (i.e., neutronics and chemistry) involved in altering the redox potential in an MSR. Here, the neutronic code Griffin models the depletion of the fuel-salt system, while the chemical equilibrium code Thermochimica calculates the thermochemical state of the isotopic inventory, using the Molten Salt Thermodynamic Database - Thermochemical (MSTDB-TC). These two codes are tightly coupled to predict the impact of fuel depletion in altering the chemistry in MSR systems. Redox potential control methods are discussed and can be modeled using this multiphysics approach. The vapor pressures of chemical species that could be extracted to an off-gas system, as determined by the reactor’s thermochemical state, are examined. The neutronics-chemistry coupling developed in this work is expected to have potential application for analyzing corrosion, source term evolution, and material safeguards in MSR systems. Lastly, suggestions for areas of further improvements of the models to expand these capabilities by incorporating other coupled physics effects is provided.

Walker, Samuel A.↗

Calibration of a Passive Neutron Counter with {sup 242}Pu Standards - 16450

At the Los Alamos National Laboratory TA 55 facility, a large quantity of Heat Source (HS) and MT42 (primarily {sup 242}Pu) has been designated for disposal as TRU waste. The waste, to be packaged in either 55 gal drums or Pipe Overpack Containers (POCs), is scheduled to be assayed with the TA 55 HENC 3 system. The system is owned and operated by the Nuclear Waste Partnership (NWP) under a contract with the Carlsbad DoE field office. The HENC 3 is a combined passive neutron/gamma assay system. The neutron component of the system was previously calibrated up to 21.9 g of {sup 240}Pu effective. This corresponds to approximately 9 g of typical HS plutonium and 13 g of MT42 waste. In order to reduce packaging efforts and radiation dose for waste handling personnel, LANL has requested an increase in the HENC 3 calibration limit to approximate the maximum allowable shipping and storage limits for TRU waste. To increase the limits, NWP has obtained the use of well characterized MT42 source materials. The sources, developed and owned by LANL, range from to 5 g to 200 g of plutonium enriched to 86.6% {sup 242}Pu. Using these sources in combination, multiple measurements were performed with both 55-gal drums and POCs to determine their suitability for extending the neutron calibration range of the system. The results of the measurements were (1) compared to the existing calibration for consistency and (2) used to extend the calibration range to 307 g of {sup 240}Pu effective. This report will discuss the elements of the neutron component of the HENC 3 system, the calibration extension effort, problems encountered, and the results of the measurements. As a result of the extension, HS and MT42 materials can be assayed in 55-gal drums and POCs up to their allowable shipping limits. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation

Uncertainty analysis is a critical requirement in reactor simulation as it is used to quantify the reliability of best-estimate calculation. A comprehensive uncertainty analysis should characterize all sources of uncertainties in a computationally-feasible and scientifically-defendable manner. Here we employ a well-established reduced order modeling (ROM) based uncertainty quantification methodology to propagate uncertainties throughout neutronic calculations. ROM relies on recent advances in randomized data mining techniques applied to large data streams. In our proposed implementation, the nuclear data uncertainties are first propagated from multi-group level through lattice physics calculation to generate few-group parameter uncertainties, described using a vector of mean values and a covariance matrix. Employing an ROM-based compression of the covariance matrix, the few-group uncertainties are then propagated through downstream core simulation in a computationally efficient manner. This straightforward approach, albeit efficient as compared to brute force forward and/or adjoint-based methods, often employs a number of assumptions that have been unquestioned in the literature of neutronic uncertainty analysis. This manuscript argues that these assumptions could introduce another source of uncertainty referred to as modeling uncertainties, whose magnitude needs to be quantified in tandem with nuclear data uncertainties. Thus, our primary goal is to explore the interactions between these two uncertainty sources in order to assess whether modeling uncertainties have an impact on parameter uncertainties. To explore this endeavor, the impact of a number of modeling assumptions on core attributes uncertainties is quantified. The study employs a CANDU reactor model, with Serpent and NEWT as lattice physics solvers and NESTLE-C as core simulator. The modeling assumptions investigated include those related with the uncertainty propagation method employed, e.g., deterministic vs. stochastic, the few-group energy structure employed to represent the cross-sections, the resonance treatment in lattice physics calculation, the reference values for the cross-section, and the number of samples employed to render ROM compression. Results indicate that some of the modeling assumptions could have a non-negligible impact on the core responses propagated uncertainties, highlighting the need for a more comprehensive approach to combine parameter and modeling uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sodium Fast Reactor Safety and Licensing Research Plan – Volume I

This report proposes potential research priorities for the Department of Energy (DOE) with the intent of improving the licensability of the Sodium Fast Reactor (SFR). In support of this project, five panels were tasked with identifying potential safety-related gaps in available information, data, and models needed to support the licensing of a SFR. The areas examined were sodium technology, accident sequences and initiators, source term characterization, codes and methods, and fuels and materials. It is the intent of this report to utilize a structured and transparent process that incorporates feedback from all interested stakeholders to suggest future funding priorities for the SFR research and development. While numerous gaps were identified, two cross-cutting gaps related to knowledge preservation were agreed upon by all panels and should be addressed in the near future. The first gap is a need to re-evaluate the current procedures for removing the Applied Technology designation from old documents. The second cross-cutting gap is the need for a robust Knowledge Management and Preservation system in all SFR research areas. Closure of these and the other identified gaps will require both a reprioritization of funding within DOE as well as a re-evaluation of existing bureaucratic procedures within the DOE associated with Applied Technology and Knowledge Management.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SCALE Code System 6.2.1

The SCALE Code System is a widely-used modeling and simulation suite for nuclear safety analysis and design that is developed, maintained, tested, and managed by the Reactor and Nuclear Systems Division (RNSD) of Oak Ridge National Laboratory (ORNL). SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor and lattice physics, radiation shielding, spent fuel and radioactive source term characterization, and sensitivity and uncertainty analysis. Since 1980, regulators, licensees, and research institutions around the world have used SCALE for safety analysis and design. SCALE provides an integrated framework with dozens of computational modules including three deterministic and three Monte Carlo radiation transport solvers that are selected based on the desired solution strategy. SCALE includes current nuclear data libraries and problem-dependent processing tools for continuous-energy (CE) and multigroup (MG) neutronics and coupled neutron-gamma calculations, as well as activation, depletion, and decay calculations. SCALE includes unique capabilities for automated variance reduction for shielding calculations, as well as sensitivity and uncertainty analysis. SCALE’s graphical user interfaces assist with accurate system modeling, visualization of nuclear data, and convenient access to desired results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Prospecting for Critical Minerals and Rare Earth Elements from Marcellus Shale in the Western Portion of the Appalachian Basin with Non-Destructive Core Characterization

Identification of sources for domestic critical minerals and rare earth elements (CM/REE) has been deemed essential for the energy transition by the United States Department of Energy (DOE). The U.S. DOE’s National Energy Technology Laboratory’s (NETL) Geomaterials Characterization Laboratory has performed non-destructive core characterizations on energy-relevant rock cores for the past decade. During this time, NETL has published over 36 technical reports and made the associated data publicly available. Much of this work focuses on unconventional shale gas, subsurface carbon storage systems, and carbon-ore. These efforts provide cm-scale petrophysical and elemental data, photographic documentation, detailed core descriptions, and computed tomography (CT) data for each well. This provides a first phase prospecting resource for CM/REE resources and can provide a map for pin-pointing intervals and lithologies for further development. Using historical core characterization data from 12 Marcellus wells from the western portion of the Appalachian Basin, this study builds an improved understanding of the chemostratigraphy of the basin. X-ray fluorescence (XRF) and CT images were used to determine lithologic intervals and potential ore bodies for further analysis, including benchtop digestion and inductively coupled plasma mass spectrometry (ICP-MS) to better understand the CM/REE enrichments.

Paronish, Thomas J.↗

Sputtering of silicon and glass substrates with polyatomic molecular ion beams generated from ionic liquids

The effect of irradiating 1-ethyl-3-methylimidazolium positive (EMIM{sup +}) or dicyanamide negative (DCA{sup –}) ion beams using an ionic liquid ion source was characterized concerning its sputtering properties for single crystalline Si(100) and nonalkaline borosilicate glass substrates. The irradiation of the DCA{sup –} ion beam onto the Si substrate at an acceleration voltage of 4 and 6 kV exhibited detectable sputtered depths greater than a couple of nanometers with an ion fluence of only 1 × 10{sup 15} ions/cm{sup 2}, while the EMIM{sup +} ion beam produced the same depths with an ion fluence 5 × 10{sup 15} ions/cm{sup 2}. The irradiation of a 4 kV DCA{sup –} ion beam at a fluence of 1 × 10{sup 16} ions/cm{sup 2} also yields large etching depths in Si substrates, corresponding to a sputtering yield of Si/DCA{sup – }= 10, and exhibits a smoothed surface roughness of 0.05 nm. The interaction between DCA{sup –} and Si likely causes a chemical reaction that relates to the high sputtering yield and forms an amorphous C-N capping layer that results in the smooth surface. Moreover, sputtering damage by the DCA{sup –} irradiation, which was estimated by Rutherford backscattering spectroscopy with the channeling technique, was minimal compared to Ar{sup +} irradiation at the same condition. In contrast, the glass substrates exhibited no apparent change in surface roughnesses when sputtered by the DCA{sup –} irradiation compared to the unirradiated glass substrates.

42 ENGINEERING↗

Microseismic Monitoring of Laboratory Hydraulic Fracturing Experiments in Granitic Rocks for Different Fracture Propagation Regimes

While hydraulic fracturing (HF) is a widely employed process, the underlying fracturing processes are still heavily contested. The attributes of the HF generated fracture network can exhibit substantial variation when dealing with specific HF propagation regimes encountered in the field. In this study, HF experiments were performed on true-triaxially loaded Barre granite cubes, with microseismic monitoring, to identify and characterize the fracturing mechanisms associated with different viscosity injection fluids. Utilizing fluids with high (oil/1450 cP) and low (water/1 cP) viscosity represented two key HF propagation regimes: viscosity- and toughness-dominated. The experiments conducted with oil involved higher breakdown pressures, larger fluid volumes, and slower fracture propagation speeds. Furthermore, the frequency–magnitude distribution (b value) for all experiments (1.9–2.3) was similar to those encountered for large-scale operations. Slightly larger b values were encountered during the initiation phase (2.4–2.7) relative to the fracture propagation and post-fracturing phases (1.9–2.2). Techniques such as polarity and moment-tensor inversion were utilized to characterize the source mechanisms. For the HF experiments with oil, tensile fractures were most dominant (92%) in the initiation phase compared to fracture propagation and post-fracturing phases (70–75%). Similar tensile fracturing dominancy was not observed with water, attributable to fluid permeation and leak-off. Regardless of the injection fluid or classification criteria employed, tensile fractures were the dominant type consistently, with fewer occurring in water experiments but the specific ratio of crack types varied with different source mechanism criteria employed.

58 GEOSCIENCES↗

An investigation of {sup 60}Co gamma radiation-induced effects on the properties of nanostructured α-MoO{sub 3} for the application in optoelectronic and photonic devices

Gamma ray has sufficient energy to ionize and displace of atoms when interacts with optoelectronic and photonic devices that are placed at γ-radiation exposure environment, can be exposed to gamma radiation, resulting the alteration of the physical properties and hence the performances of devices. A comprehensive investigation of physical properties of the semiconductor materials under the influence of gamma radiation is essential for the effective design of devices for the application in the radiation exposure environment. In this article, a potential candidate for optoelectronic and photonic devices, orthorhombic MoO{sub 3} nanoparticles with average crystallite size of 135.31 nm successfully synthesized by hydrothermal method. Then, the properties of nanoparticles exposed to low (10 kGy) and high (120 kGy) absorbed dose of γ-rays from {sup 60}Co source were characterized by XRD, FESEM, FTIR and UV–Vis–NIR spectrophotometer and effects of absorbed doses was investigated for the first time. A significant change is observed in different physical properties of α-MoO{sub 3} nanoparticles after gamma exposure. The XRD patterns reveal the average crystallite size, intensity and the degree of crystallinity decrease for low dose (10 kGy) and increases for high dose (120 kGy). The calculated average crystallite size exposed to low and high doses are 127.79 nm and 136 nm, respectively. The lattice strain and dislocation density, however, shows the opposite trend of crystallite size with absorbed doses. This result is good evidence for the deterioration of crystallinity for low dose and improvement for high dose. The FESEM results reveal the significant effects of gamma doses on the micrographs of layered structure and on grain size. The optical studies disclose that band gap increases gradually from 2.78 to 2.90 eV, this behavior is associated with the reduction of electronic localized states. These results suggest that α-MoO{sub 3} nanoparticles could tolerate high doses of gamma radiation, making it a promising candidate for optoelectronic and photonic devices for γ-ray exposure environment applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗