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At least 1,189 records · Page 66

Improvement of the $\mathrm{BISON U_3Si_2}$ modeling capabilities based on multiscale developments to modeling fission gas behavior

Uranium silicide (U 3 Si 2 ) is a concept explored as a potential alternative to UO 2 fuel used in light water reactors (LWRs) since it may improve accident tolerance and economics due to its higher thermal conductivity and increased uranium density. U 3 Si 2 has been previously used in research reactors in the form of dispersion fuel, but operated at lower temperatures than commercial LWRs. The research reactor data illustrated that significant gaseous swelling occurs as the fuel burnup increases. Therefore, it is imperative to understand the fission gas behavior of U 3 Si 2 under higher temperature LWR operating conditions. In this work, molecular dynamics and phase-field modeling techniques are used to reduce the uncertainty in select modeling assumptions made in developing the fission gas behavior model for U 3 Si 2 in the BISON fuel performance code. These lower length scale informed models are then utilized in the validation of BISON U 3 Si 2 modeling capabilities to simulate the ATF-1 experiments irradiated in the Advanced Test Reactor (ATR). Sensitivity analysis (SA) and uncertainty quantification (UQ) are included as part of the validation process to identify where further experiments and lower length scale modeling would be beneficial. Here, the multiscale modeling approach utilized in this work can be applied to new fuel concepts being explored for both LWRs and advanced reactors (e.g., uranium nitride, uranium carbide).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Effect of zeolite type, temperature, and pH on Stage III glass alteration behavior for two nuclear waste glasses

We report long-term laboratory scale static alteration tests (up to 1500 d) were conducted on two low-activity waste glasses (LAWA44 and IDF18-A161) at S/V = 2000 m –1 . Tests were seeded with either analcime, clinoptilolite, zeolite P1, or zeolite P2 to induce Stage III glass alteration behavior. The effect of several parameters on glass Stage III behavior was studied with consideration of several variables, including temperature (22 °C – 90 °C) and pH (floating or initially set using KOH at values from 9.5 to 11.5). Temporal solution data and solids characterization at the end of the experiments are reported. Solution data demonstrated the occurrence of a sustained rate acceleration at temperatures down to 40 °C and the activation energy for these Stage III rates was determined for both glasses. Three major secondary phases were identified at the end of the experiments for both glasses: zeolite P1, zeolite P2, and/or analcime (along with minor phases: zeolites, clays, carbonates). The identification of the crystalline phases at the end of the experiment often differed from the zeolite seed phase. In addition, the use of the Avrami equation showed unimpeded zeolite growth (3-dimensional) in certain conditions, suggesting that in certain conditions the glass dissolution rate is controlled by zeolite formation kinetics whereas in other conditions the glass corrosion process impeded zeolite formation kinetics. The morphological evolution of the samples revealed the growth of the zeolites which completely fill the intergranular space in the powder bed. These results are discussed with regards to previous seeded and unseeded Stage III dissolution rate experiments performed on low- and high-activity nuclear waste glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Temperature effects on the serrated behavior of an Al 0.5 CoCrCuFeNi high-entropy alloy

Compression experiments of the Al 0.5 CoCrCuFeNi high-entropy alloy (HEA) under displacement control were conducted at different temperatures ranging from 673 K to 873 K with a low strain rate of 2 x 10 -4 /s to study its serration behavior. Samples after compression tests were investigated, using the synchrontron-diffraction technique and transmission-electron microscopy. By comparing the stress-strain curves at different temperatures, two opposite directions of serrations were observed, named the upward serration appearing at 573 K and 673 K and the downward serration at 773 K and 873 K. The different directions of serrations were discussed in terms of not only the relationships among the stress vs. strain, stress vs. time, and strain vs. time, but also the interactions among dislocations, atoms, and nanoparticles. Lastly, the temperature effect on the flow serration is discussed by referring to a theoretical framework for the initiation of the serrated flow. Beyond a critical high temperature, the initiation of the serrated flow becomes swiftly difficult, and ultimately the plastic flow in the full deformation range turns smooth. Such a theoretical prediction of normal behavior is essentially in qualitative agreement with the experimental observation in the present work, i.e., the critical strain to intiate the serration decreases, with the increasing temperature.

36 MATERIALS SCIENCE↗

Physical origins of the varying performance and unusual transport behaviors among thermoelectric A Mg 2 Sb 2 materials ( A = Ca, Sr, Sm, Yb, and Mg)

Contrary to the similar thermoelectric performance among both AZn 2 Sb 2 and AMg 2 Bi 2 compounds, their isostructural counterparts, AMg 2 Sb 2 , can exhibit thermoelectric figure of merit values that vary by orders of magnitude with different A elements. Here, we reveal physical origins accounting for the significantly differing performance among AMg 2 Sb 2 -based compounds (A = Ca, Sr, Sm, Yb, and Mg) through comprehensive analyses, where it is shown that the dispar- ities in performance at the macroscale essentially originate from the widely varying activation energies that equal amounts of dopant can induce. Meanwhile, a few unusual transport behaviors regarding electrical conductivity, carrier concentration, or lattice thermal con- ductivity among these compounds have been identified, and we also present their rationales in depth. Furthermore, this mechanism-focused study can not only promote further understanding of the complex transport behaviors in condensed matter but be instrumental in rationally tun- ing the physical properties of materials as well.

36 MATERIALS SCIENCE↗

Visualization of facet-dependent pseudo-photocatalytic behavior of TiO 2 nanorods for water splitting using In situ liquid cell TEM

Here, we report an investigation of the pseudo-photocatalytic behavior of rutile TiO 2 nanorods for water splitting observed with liquid cell transmission electron microscopy (TEM). The electron beam serves as a “light” source to initiate the catalytic reaction and a “water-in-salt” aqueous solution is employed as the electrolyte. The observation reveals that bubbles are generated preferentially residing near the {110} facet of a rutile TiO 2 nanorod under a low electron dose rate (9.3–18.6 e-/Å 2 ·s). These bubbles are ascribed to hydrogen gas generated from the pseudo-photocatalytic water splitting. As the electron beam current density increases to 93 e-/Å 2 ·s, bubbles are also found at the {001} and {111} facets as well as in the bulk liquid solution, demonstrating the dominant effects of water electrolysis by electron beam under higher dose rates. The facet-dependent pseudo-photocatalytic behavior of rutile TiO 2 nanorods is further validated using density functional theory (DFT)calculation. Finally, our work establishes a facile liquid cell TEM setup for the study of pseudo-photocatalytic water splitting and it may also be applied to investigation of other photo-activated phenomena occurring at the solid-liquid interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Studying the tastes effecting mode choice behavior of travelers under transit service disruptions

Public transit (PT) service disruption is a phenomenon which is quite common across the world and is characterized by significant delays or cancelations of transit services. These disruptions can substantially affect commuter trips, particularly in cities with significant PT mode share, which triggers a change in both short-term and long-term traveler behavior. While service disruptions due to cancelations have been well studied in the literature, there has been limited work on studying the impacts of disruptions due to significant service delays on traveler behavior. This study analyzes data from a joint revealed preference cum stated preference (RP-SP) survey conducted in the Chicago metropolitan area in the US to understand traveler’s mode choice under the two forms of PT service disruptions. The trip specific attributes of the other competing alternatives for an individual were extracted using Google’s application programming interface (API) in the survey. The collected data is analyzed using the latent class choice model formulation. The results show that travelers find canceled PT service situations 3 times more onerous than service disruptions due to delays. While the value of travel time savings under disruptions due to delays and cancelations for rail users is found to be around US$\$$10/hr and US$\$$32/hr respectively, for bus users the values are US$\$$19/hr and US$\$$43/hr respectively. The findings from this study provide separate sets of preferences under each disruption scenario to planners. This information will be useful in planning remedial actions aimed at minimizing the impact of transit service disruptions.

99 GENERAL AND MISCELLANEOUS↗

Quantitative Observation of Threshold Defect Behavior in Memristive Devices with Operando X-ray Microscopy

Memristive devices are an emerging technology that enables both rich interdisciplinary science and novel device functionalities, such as nonvolatile memories and nanoionics-based synaptic electronics. Recent work has shown that the reproducibility and variability of the devices depend sensitively on the defect structures created during electroforming as well as their continued evolution under dynamic electric fields. However, a fundamental principle guiding the material design of defect structures is still lacking due to the difficulty in understanding dynamic defect behavior under different resistance states. Here, we unravel the existence of threshold behavior by studying model, single-crystal devices: resistive switching requires that the pristine oxygen vacancy concentration reside near a critical value. Theoretical calculations show that the threshold oxygen vacancy concentration lies at the boundary for both electronic and atomic phase transitions. Through operando , multimodal X-ray imaging, we show that field tuning of the local oxygen vacancy concentration below or above the threshold value is responsible for switching between different electrical states. Lastly, these results provide a general strategy for designing functional defect structures around threshold concentrations to create dynamic, field-controlled phases for memristive devices.

36 MATERIALS SCIENCE↗

Randomly Layered Superstructure of In 2 O 3 Truncated Nano-Octahedra and Its High-Pressure Behavior

This study outlines the synthesis and characterization of a unique superlattice composed of vertex-truncated indium oxide (In 2 O 3 ) nano-octahedra, along with an exploration of its response to high-pressure conditions. Here, using a bright-field transmission electron microscope (BF-TEM), we determined an average circumradius of 15.2 nm for these octahedral building blocks. The resilience and response of the superlattice to pressure variations, peaking at 18.01 GPa, were examined by employing synchrotron-based Wide-Angle X-ray Scattering (WAXS) and Small-Angle X-ray Scattering (SAXS) techniques. The WAXS data revealed no phase transitions, reinforcing the stability of the 2D superlattice comprised of random layers in alignment with a 2D p31m symmetry. Notably, the SAXS data unveiled a pressure-induced, irreversible octahedron translation and ligand interaction occurring within the random layer. Through our examination of these pressure-sensitive behaviors, we identified a distinctive translation model inherent to octahedra and observed modulation in the superlattice cell parameter induced by pressure. This research signifies a noteworthy progression in deciphering the intricate behaviors of 2D superlattices under high-pressure conditions.

36 MATERIALS SCIENCE↗

Elucidating molecular scale interactions underlying the freezing behavior of salt solutions in silica nanopores

Elucidating the influence of nanoscale confinement on the freezing behavior of salt solutions is of fundamental interest to environmental security and materials science and engineering. Specific structural information such as the coordination environment of ions in confined aqueous medium, effects on the extended hexagonal network of water molecules and their mutual non-bonding interactions in confinement are sparse in the literature along with the change in the dynamical characteristics of water in the presence of ions. To address these knowledge gaps, the current study is focused on investigating the influence of reduced dimensionality arising from nanoscale confinement on the structural evolution of salt solutions on freezing and the associated fluid–surface interactions. In this regard, operando wide-angle X-ray scattering (WAXS) measurements and classical molecular dynamics (MD) simulations are conducted with water and 0.5 M CaCl 2 , MgCl 2 and KCl solutions confined in 4 nm sized SBA-15 silica pores upon cooling from 300 K to 200 K. The freezing point of the salt solutions is depressed to 235 K which is about 10 K lower than that of confined water. The translational dynamics of confined salt solutions indicates shifts in the fragile-to-strong dynamical crossover to a lower temperature compared to pure water. The strong electrostatic attraction between the cations and the surrounding water molecules contributes to the freezing point depression in confined salt solutions. These insights unlock the molecular-scale basis and mechanisms underlying the freezing behavior of confined salt solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anomalous anisotropic compression behavior of superconducting CrAs under high pressure

CrAs was observed to possess the bulk superconductivity under high-pressure conditions. To understand the superconducting mechanism and explore the correlation between the structure and superconductivity, the high-pressure structural evolution of CrAs was investigated using the angle-dispersive X-ray diffraction (XRD) method. The structure of CrAs remains stable up to 1.8 GPa, whereas the lattice parameters exhibit anomalous compression behaviors. With increasing pressure, the lattice parameters a and c both demonstrate a nonmonotonic change, and the lattice parameter b undergoes a rapid contraction at ~0.18–0.35 GPa, which suggests that a pressure-induced isostructural phase transition occurs in CrAs. Above the phase transition pressure, the axial compressibilities of CrAs present remarkable anisotropy. A schematic band model was used to address the anomalous compression behavior of CrAs. Lastly, the present results shed light on the structural and related electronic responses to high pressure, which play a key role toward understanding the superconductivity of CrAs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Ahr2-Dependent wfikkn1 Gene Influences Zebrafish Transcriptome, Proteome, and Behavior

The aryl hydrocarbon receptor (AHR) is required for vertebrate development and is also activated by exogenous chemicals, including polycyclic aromatic hydrocarbons (PAHs) and 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD). AHR activation is well-understood, but roles of downstream molecular signaling events are largely unknown. From previous transcriptomics in 48 h postfertilization (hpf) zebrafish exposed to several PAHs and TCDD, we found wfikkn1 was highly coexpressed with cyp1a (marker for AHR activation). Thus, we hypothesized wfikkn1’s role in AHR signaling, and showed that wfikkn1 expression was Ahr2 (zebrafish ortholog of human AHR)-dependent in developing zebrafish exposed to TCDD. To functionally characterize wfikkn1, we made a CRISPR-Cas9 mutant line with a 16-bp deletion in wfikkn1’s exon, and exposed wildtype and mutants to dimethyl sulfoxide or TCDD. 48-hpf mRNA sequencing revealed over 700 genes that were differentially expressed (p < .05, log 2 FC > 1) between each pair of treatment combinations, suggesting an important role for wfikkn1 in altering both the 48-hpf transcriptome and TCDD-induced expression changes. Mass spectrometry-based proteomics of 48-hpf wildtype and mutants revealed 325 significant differentially expressed proteins. Functional enrichment demonstrated wfikkn1 was involved in skeletal muscle development and played a role in neurological pathways after TCDD exposure. Mutant zebrafish appeared morphologically normal but had significant behavior deficiencies at all life stages, and absence of Wfikkn1 did not significantly alter TCDD-induced behavior effects at all life stages. In conclusion, wfikkn1 did not appear to be significantly involved in TCDD’s overt toxicity but is likely a necessary functional member of the AHR signaling cascade.

59 BASIC BIOLOGICAL SCIENCES↗

Consumption Behavior Analytics-Aided Energy Forecasting and Dispatch

For decades, electricity customers have been treated as mere recipients of electricity in vertically integrated power systems. However, as customers have widely adopted distributed energy resources and other forms of customer participation in active dispatch (such as demand response) have taken shape, the value of mining knowledge from customer behavior patterns and using it for power system operation is increasing. Further, the variability of renewable energy resources has been considered a liability to the grid. However, electricity consumption has shown the same level of variability and uncertainty, and this is sometimes overlooked. This article investigates data analytics and forecasting methods to identify correlations between electricity consumption behavior and distributed photovoltaic (PV) output. The forecasting results feed into a predictive energy management system that optimizes energy consumption in the near future to balance customer demand and power system needs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Commercial Vehicle Driver Behaviors and Decision Making: Lessons Learned from Urban Ridealongs

As e-commerce and urban deliveries spike, cities grapple with managing urban freight more actively. In order to effectively manage urban deliveries, city planners and policy makers need to better understand driver behaviors and the challenges they experience in performing deliveries. In this study, we collected data on commercial vehicle (CV) driver behaviors by performing ridealongs with various logistics carriers. Ridealongs were performed in Seattle, Washington, covering a range of vehicles (cars, vans, and trucks), goods (parcels, mail, beverages, and printed materials), and customer types (residential, office, large and small retail). Observers collected qualitative observations and quantitative data on trip and dwell times, while also tracking vehicles through GPS devices. The results showed that, on average, urban CVs spent 80 percent of their daily operating time parked. The study also found that, unlike the common belief, drivers (especially those operating heavier vehicles) parked in authorized parking locations, with only less than 5 percent of stops occurring in the travel lane. Dwell times associated with authorized parking locations were significantly longer than those of other parking locations, and mail and heavy goods deliveries generally had longer dwell times. We also identified three main criteria CV drivers used for choosing a parking location: avoiding unsafe maneuvers, minimizing conflicts with other users of the road, and coopetition with other commercial drivers. Here, the results provide estimates for trip times, dwell times, and parking choice types, as well as insights into why those decisions are made and the factors affecting driver choices.

33 ADVANCED PROPULSION SYSTEMS↗

1995 San Diego Region Travel Behavior Survey

The 1995 San Diego Region Travel Behavior Survey was conducted January-June of 1995 under the auspices of the San Diego Association of Governments. The survey was an essential element in the regional study of transportation activity and travel patterns. The survey was designed to examine the relationship between characteristics of households and travel behavior, as well as to provide information state and local decision makers require when considering future regional transportation needs and investments. In total, 2,375 households were recruited to participate in the study. Of these, 2,062 households completed travel diaries, and the information was retrieved from all household members older than age five. 2,049 were successfully geocoded to California state plane coordinates for home addresses. A total of 17,060 trips were profiled in the course of this survey during the assigned 24-hour weekday.

1Hz data↗

Transit Rider/Travel Behavior Inventory Survey - Minneapolis-St. Paul Metro - 2010

The Metropolitan Council administered a system-wide transit on-board survey between September and November 2010 as part of the 2010 Travel Behavior Inventory to provide detailed transit usage patterns and rider information to support modeling and planning efforts. The study’s focus was to capture only the most current and reliable data necessary to determine future public transportation needs in the Minneapolis region. The study was structured to collect detailed transit ridership data for different routes during different times of day to develop a disaggregate transit trip table that will support advanced travel demand modeling. The study was designed to leverage existing data sources, such as the 2005 on-board survey, to provide the best quality data to update the Travel Behavior Inventory in the Minneapolis-Saint Paul metropolitan area.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Transit Rider/Travel Behavior Inventory Survey - Minneapolis-St. Paul Metro - 1990

The 1990 transit on-board survey aimed to update the 1988 survey, which was conducted as part of the Preliminary Engineering Study for the Hennepin County Light Rail Transit System. The 1988 study received Regional Transit Board funding, and survey results could be applied to a mode split model for projecting ridership on the proposed Light Rail Transit System. However, this survey was designed with the 1990 Travel Behavior Inventory in mind. The intention had been to update the 1988 survey in 1990 to be compatible with the 1990 Travel Behavior Inventory data. The results of the 1990 survey were used primarily to create a table of observed transit trips between each of the 1,200 traffic analysis zones in the region. This trip table was used to calibrate a new mode split model, which estimated future year travel by mode. The 1990 update survey focused on new routes and routes that had changed significantly since 1988. To preserve compatibility with the 1988 survey, the same survey questionnaire card was used, together with the same survey procedures for data collection. The procedures randomly sampled bus patrons during the transit trip, asking key questions about the patron and the transit trip. The survey card was intended for patrons to fill out quickly so it could be completed during the transit trip. The questions focused on conditions that have proven over time to significantly influence ridership. In all, a total of 20,126 valid survey records were processed. Adding surrogate trips, the survey data file is composed of a total of 27,159 trip records . About 10% of the records were filled out by persons who had answered more than one questionnaire.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

SPSP Phase III Recruiting, Selecting, and Developing Secure Power Systems Professionals: Behavioral Interview Guidelines by Job Roles

The Secure Power Systems Professional Phase III final report was released last year which an appendix of Behavioral Interview Guidelines by Job Roles. This new report is that appendix broken out as a standalone document to assist utilities in recruiting and developing Secure Power Systems Professionals at their site. The complete list of knowledge, skills, and abilities required in each of the studied job roles was assembled into the Behavioral Interview Guidelines. The guidelines were developed to apply the results of Phases I and II in a format that can be used in part or in whole to align workforce capabilities with the strategic goals and tactical focus of a power grid organization. These guidelines may 1) be applied to develop performance reviews or to produce individual professional development programs for existing staff; 2) assist in specifying learning objectives for a training or education program; and 3) be easily incorporated into most human capital software to facilitate development of job descriptions that comply with guidelines established by the Society of Human Resource Management. The guidelines can be immediately applied by human resources professionals, recruiters, and hiring managers to assist in recruiting and interviewing candidates for new SPSP position openings.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Informing a Tidal Turbine Strike Probability Model through Characterization of Fish Behavioral Response using Multibeam Sonar Output

One of the most important biological questions facing the marine and hydrokinetic (MHK) energy industry is whether fish and marine mammals that encounter MHK devices are likely to be struck by moving components. For hydrokinetic (HK) devices, i.e., those that generate energy from flowing water, this concern is greatest for large organisms because their increased length increases the probability that they will be struck as they pass through the area of blade sweep and because their increased mass means that the force absorbed if struck is greater and potentially more damaging (Amaral et al. 2015). Key to answering this question is understanding whether aquatic organisms change their swimming behavior as they encounter a device in a way that decreases their likelihood of being struck and possibly injured by the device. Whether near-field or far-field behavior results in general avoidance of or attraction to HK devices is a significant factor in the possible risk of physical contact with rotating turbine blades (Cada and Bevelhimer 2011).

13 HYDRO ENERGY↗