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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Electron microscopy analysis of high burnup commercial fuel

Modern electron microscopy analysis can provide detailed insight into the microstructure and chemistry of high burnup UO{sub 2} fuel. This more complete understanding of fuel evolution and performance in reactor can provide critical insight necessary to validate fuel performance models and optimize reactor operations. Preliminary results from the investigation of a polished cross-section of high burnup UO{sub 2} fuel (seven cycles) from the H.B. Robinson pressurized water reactor will be discussed. The analysis focuses on scanning electron microscopy (SEM) of the complete cross-section, while scanning transmission electron microscopy (S/TEM) was performed on targeted features identified by SEM where specimens were fabricated by traditional focused ion beam lift-out techniques. Analysis of the complete cross-section allowed for investigation of the microstructural variations from centerline to fuel/clad interface, pellet/pellet interface, and cladding. Secondary electron imaging and backscatter electron imaging was performed to identify variations in the distribution of fission product secondary phases and bubbles/voids. The analysis of the pellet/pellet interface is a unique feature of this sample where initial analysis shows segregation of fission product phases at the pellet/pellet interface and also indicates an interface microstructure lacking of bubbles and voids. X-ray spectrum imaging was performed by both SEM and STEM techniques to identify the composition of the secondary phases present in the fuel. Multivariate statistical analysis (MVSA) of the X-ray spectrum images has been applied to improve the sensitivity of the analysis and highlight minor variations in the fuel chemistry and secondary phases comprised of fission product as well as the distribution of sub-surface Xe gas bubbles in the high burnup structure. The results presented demonstrate the level of microstructural understanding that is attainable with a combination of SEM techniques along with S/TEM techniques.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Artificial Neural Network Representation of Dynamic Criticality Excursion Experiment Data

This paper outlines time dependent considerations in applying the artificial neural network (ANN) paradigm to dynamic nuclear criticality excursion experiment data. The ANN amongst a variety of uses, can apply to function fitting of multiple input-multiple output data sets, pattern recognition, cluster analysis, and time series prediction. The ANN is a component of Machine Learning (ML) data analysis. The practical application of ML to criticality safety has been funded through the Y-12 Plant Directed Research and Demonstration (PDRD) program to support criticality safety and emergency planning efforts. The initial effort considered function fitting of criticality excursion data. Recent efforts successfully extended the ANN to criticality safety code validation. The initial ANN work applied to criticality excursions centered around multivariate function fitting of static (tabular) data taken from the French Consequences Radiologiques d'un Accident de Criticite (CRAC) and SILENE reactor campaigns. The former report (LeCorche) summarized important tabular data for the first 44 CRAC experiments. The initial ANN was trained to specific time-independent inputs, then applied to predict peak fission rate and total fissions for a wide variety of fissile solutions process conditions. This work extends that effort to apply the ANN paradigm to dynamic prediction of time-dependent criticality excursion experiment data. A dynamic criticality excursion in fissile solution represents a complex multiphysics phenomenon. Factors include among other things, coupled neutronic, multiphase fluid flow, temperature, pressure, acoustic shock, boiling heat transfer, reactivity feedback, and radiolytic gas considerations. There have been many efforts to model (over time) as coupled ordinary and (space) as partial differential equations (ODE, PDE). The ANN representation noted here does not rely on solving explicit ODE or PDEs. Rather the intent is to demonstrate that as a time series, the criticality excursion can be predicted by training specific ANN architectures to experimental input and output time series exclusively. The rationale for extending this work to the time-dependent regime is important in developing a 'criticality excursion emulator' solely on the basis of learning characteristics from experiment dynamic data. An emulator is different than a computer code simulator driven by the solution of ODEs and PDEs given select 'tuning parameters' that match outputs to experiments. A criticality excursion emulator, derived exclusively from an ANN or ML, could predict most likely excursion characteristics, trained from historic dynamic experiment data, presented with input values within the range of those experiments. The work noted shows that generic time-series ANN architectures can be satisfactorily applied to the prediction of dynamic, extremely chaotic criticality excursion power given an initial time dependent input series. In reality, an excursion emulator could be driven by user-supplied initial (t=0), time independent or constant values to generate time dependent outputs. Thus ongoing work includes developing a custom ANN such that initial dynamic conditions would be predicted. Those results then serve as inputs to a customized ANN architecture currently in development. (author)

42 ENGINEERING↗
DOE OSTI2019

Radiological Performance Modeling: Platform Comparison

Zapadnoe Uranium Mill Tailings Site, Pridneprovsky Chemical Plant Ukraine: Two exposure scenarios were utilized to develop performance assessment models in GoldSim and NORMALYSA. The first scenario is an onsite worker exposed to radioactivity through external ground irradiation as well as radon and radioactive dust inhalation. The second being an offsite Resident 300 years after institutional control exposed through the ingestion of garden vegetables irrigated by contaminated ground water, ingestion of fish from Konoplyanka River, and agricultural activities in contaminated garden. NORMALYSA utilizes a modular interface to connect extensive pre-created modules to develop contaminant transport and risk assessment models for safety assessments and performance assessments at NORM and legacy sites. Developed by Facilia AB, the program was tested with the creation of the Zapadnoe model under the International Atomic Energy Agency MODARIA Il Working Group 1 (WG1). Default values are provided for input parameters where site specific data and distributions lack. Probabilistic simulations and inputs are limited to parameters with assigned Gaussian probability functions. Similar results for transient worker inhalation dose were found in comparison with the Zapadnoe GoldSim model. However, the NORMALYSA model has results larger by an order of magnitude for external radiation in the transient worker and for aquatic food ingestion, inhalation, and garden food ingestion to the resident. Performance Assessment Modeling: Radiological performance models promote good management and support in remediation and environmental decision making by optimizing radioactive waste disposal site performance. a performance assessment model of the Zapadnoe uranium mill tailings site and a model for calculating authorized limits at Los Alamos National Laboratory are created to demonstrate and highlight the respective capabilities of three modeling platforms: GoldSim, NORMALYSA, and RESRAD-Onsite. GoldSim is a general-purpose modeling platform with the ability to simulate site-specific FT radionuclide transport and risk assessment using a graphical interface to create and link elements that act as indivisible building blocks of the model. The Zapadnoe performance assessment model created in GoldSim is composed of input parameters collected from site specific parameters from WG1 as well as standard assumptions seen in the Generic PA Model from Neptune and Company. The multivariate Zapadnoe simulation contains both deterministic and probabilistic simulation capabilities with the ability to quantitatively represent the uncertainty and associated risks of the site via the Monte Carlo simulation method. Model parameters, documentation, and assumptions are built directly into the model creating a transparent, reproducible, and more purposeful site specific model. To demonstrate this, an ingestion of water pathway was included in addition to the exposure pathways included in the NORMALYSA model. GoldSim offers a wide variety of probability distributions to choose from as well as many tools to visualize the uncertainty of the models and explore which pathways and radionuclides dominate dose. In contrast to the NORMALYSA model, the GoldSim model uses dynamic simulation to calculate tritium concentrations. Authorized limits support the evaluation of radiological health effects from radionuclides present in bulk contaminated soil in order to assist in the process of clearing land for release under different uses. Calculations of authorized limits in RESRAD-Onsite and GoldSim models support the evaluation for 15 radionuclides using a residential exposure scenario, indoor and outdoor inhalation of dust and vapor phase radionuclides (tritium), incidental soil ingestion, and ingestion grown fruits and Vegetables. RESRAD-Onsite, developed by Argonne National Laboratory is a dedicated computer code for calculating radiation doses and cancer risks to an individual located on top of radioactively contaminated soils. It can also be used to provide guidelines for deriving radionuclide soil levels corresponding to a specific dose criterion. The menu driven user interface facilitates selection of radionuclides and soil concentrations, as well as defines parameter values related to materials, environmental factors, and exposure pathways. The program contains radionuclide-specific data such as dose conversion factors and risk coefficients, as well as soil-water partition coefficients and transfer factors for biotic media. The GoldSim model successfully emulates the RESRAD-Onsite code using identical radiological decay and ingrowth factors, radiation dose conversion factors, and other input parameters. DE EEDE ETS Each model supports dynamic modeling of radionuclide ingrowth and decay over time, and integrate this capability with the transport of radionuclides in the environment via processes such as advection and/or diffusion in fluids, or within porous solid media, The applicability of each program is heavily dependent on project context. In the context of developing Authorized Limits, RESRAD-Onsite may be a more desirable option as it was developed for this particular application. For simple disposal or legacy sites or sites that do not need site-specific model structure, NORMALYSA may be a desirable modeling platform, GoldSim can be used to model any problem for which RESRAD or NORMALYSA is applicable, but its strength lies in its flexibility, analytical, and probabilistic capabilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Distribution Development for the RDX Regional Model at Los Alamos National Laboratory - 20385

Representing uncertainty in model inputs often means finding a balance between uncertainty and physical reality. Developing wide distributions may seem conservative in principle, but this approach may lead to unrealistic model results. Characterizing the current state of knowledge of stochastic inputs presents many challenges, especially if the data available are limited or have limited relevance to the site. Relationships among these inputs may also be important to represent but are typically complex or difficult to define. Often special adjustments must be made to account for reduced credibility in particular data. If parameters are strongly related to one another, a correlation structure may be developed for input to the model. Other techniques such as regression models may be used to incorporate relationships between the information available and the desired parameters. The process of developing distributions must consider details of the model in terms of what the distribution is meant to represent. This paper uses the example of a probabilistic fate and transport model for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in the regional aquifer at Los Alamos National Laboratory (LANL). For many parameters, a single draw is applied to all space and time over which the model is run, for a single iteration. This simplification is often made for many reasons, and can often be beneficial, but also adds additional complexity in the distribution development process. Defining the distributional goals as they relate to the modeling process is an important step, which should take place prior to evaluation of the data. Usually, the distributions developed are meant to characterize the average value of the parameter over the spatial and temporal domain of the model. Distribution development requires consideration of many sources of information on the parameter where available, ideally from multiple references. Examples of different sources include data from different references but also from different conditions, measurement methods, or experimental types. Depending on these conditions and the reliability or relevance of particular references, different sources of data may each contribute valuable information but have varying relevance to the site. In these cases, weighting data unequally is a useful way to incorporate this information. As an example, aqueous dispersivity data are available for a variety of rock types. Only a few values are available for the desired rock type, and this is not enough to develop a distribution. Therefore, dispersivity values from other rock types are included in distribution development but are down-weighted such that the best data have the most influence on the distribution developed. In another case, K{sub d} distributions in the model are meant to represent a known composition of multiple soil types. Data from these materials are weighted accordingly to develop a distribution for the weighted average K{sub d} across soil types. Other cases include varying reliability of different sources, and weighting data according to the confidence in these sources. In some cases, input parameters are correlated with one another. An example is advective porosity, which is positively correlated with total porosity and must be less than total porosity. Paired data with both parameters must exist to discern the relationship between the two parameters and if it is necessary to build a correlation structure into the model. In general, correlated parameters may be represented in the model by a multivariate distribution, or perhaps more desirably, capturing the correlation within the developed distributions which may be treated as independent from one another. In the example of porosity, this can be done by transforming advective porosity into a proportion of total porosity which may be drawn independently from the distribution of total porosity. This paper explores how complex data and correlations can be incorporated to meet the distributional goals of the model, using the RDX regional model as a detailed example. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Temporal Analysis and Scene Change Detection in Multispectral Overhead Imagery

Scene change detection can be a tedious and time consuming process especially when concerning large geographical areas, and the process can be even more cumbersome when analyzing changes in an area over large spans of time. Developing a useful way to help analysts recognize at what points in time significant changes to a scene have occurred can allow them to better focus their efforts in characterizing events. Applications include: Facility monitoring, Construction chronology, Monitoring of vehicle/aircraft activity, Characterization of larger sequences of events. In large areas exceeding hundreds to thousands of square kilometers in size, it can be difficult localizing when scene changes have occurred. Analysts can spend hours going through imagery to try to identify new construction, monitor facility activities, monitor vehicle movement, etc. where the object of interest may only be a few square meters. Our goal is to help cut down this time by giving analysts change maps with hot spots of change, allowing them to focus on regions that have experienced actual change in time frames they're interested in. Additionally, by combining these change maps into layers within a data cube, analysts can examine the change maps from a temporal perspective, allowing events to be characterized over spans of time. By opening the data cube in an imaging software capable of separating the layers, we can analyze the change maps sequentially, allowing us to examine scene changes occurring over time. As an example, we examined overhead imagery from Planet Labs of what appears to be a parking lot on Fort Irwin over the course of a year using ENVI, a geospatial satellite imagery analysis software. Using ENVI, we generate a graph of changes over time, and notice a particular segment near the end of our analysis window where no changes are detected. Examination of the actual satellite imagery reveals that during this time span, the parking lot was empty. This could be due to facility shutdown for maintenance or upgrades, or possibly even total workforce/vehicle fleet movement. Information like this could help analysts better characterize events, as well as to help create clearer timelines in larger sequences of events. Workflow steps: - Collect multiple maps of the same AOI (Area of Interest) during a time span of interest; - Generate change maps from AOI maps; - Generate data cube from change maps. An analyst can use the data cube to help inspect an AOI for activities within a time span of interest. If an event of interest is discovered, the analyst can then refer to the maps corresponding to the appropriate dates and times in the data cube to see precisely what is transpiring. The biggest objective being worked on is improving the change detection methodology employed. We currently use PCA-EM (Principal Component Analysis with Expectation Maximization), but we are currently focusing on implementing IR-MAD (Iteratively Reweighted Multivariate Alteration Detection) to be used in conjunction with PCA-EM in an effort to decrease false positivity and noise in the change maps we generate.

42 ENGINEERING↗
DOE OSTI2017

Behavior-based approach to misuse detection of a simulated SCADA system - 339

This paper presents the initial findings in applying a behavior-based approach for detection of unauthorized activities in a simulated Supervisory Control and Data Acquisition (SCADA) system. Misuse detection of this type utilizes fault-free system telemetry to develop empirical models that learn normal system behavior. Future monitored telemetry sources that show statistically significant deviations from this learned behavior may indicate an attack or other unwanted actions. The experimental test bed consists of a set of Linux based enterprise servers that were isolated from a larger university research cluster. All servers are connected to a private network and simulate several components and tasks seen in a typical SCADA system. Telemetry sources included kernel statistics, resource usages and internal system hardware measurements. For this study, the Auto Associative Kernel Regression (AAKR) and Auto Associative Multivariate State Estimation Technique (AAMSET) are employed to develop empirical models. Prognostic efficacy of these methods for computer security used several groups of signals taken from available telemetry classes. The Sequential Probability Ratio Test (SPRT) is used along with these models for intrusion detection purposes. The different intrusion types shown include host/network discovery, DoS, brute force login, privilege escalation and malicious exfiltration actions. For this study, all intrusion types tested displayed alterations in the residuals of much of the monitored telemetry and were able to be detected in all signal groups used by both model types. The methods presented can be extended and implemented to industries besides nuclear that use SCADA or business-critical networks. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Cylindrical Kernel Density Estimators For Monte Carlo Neutron Transport Reactor Physics Problems

Kernel Density Estimators (KDEs) have been investigated as an alternative to histogram tallies in Monte Carlo radiation transport simulations for capturing spatially-resolved quantities such as scalar flux and reaction rate densities. KDEs are non-parametric estimators that show potential for producing smooth estimates of quantities of interest with reduced variance compared to traditional histogram tallies. Furthermore, KDEs obtain estimates of the underlying distribution at user-defined points without requiring an underlying mesh, thus making KDEs an attractive potential alternative to histogram tallies. Recent work has introduced the Mean Free Path based KDE (MFP KDE) in order to capture distributions with large curvature at material interfaces, e.g. absorption reaction rates in UO{sub 2} fuel in light water reactors. However, the multivariate MFP KDE produces inaccuracies in the form of localized spikes in problems with material cross sections that contain large resonances. Since the MFP KDE works well in one dimension, it is hypothesized that a different MFP KDE formulation where the normalization coefficient only contains one factor of the cross section would be able to capture these distributions with large curvature without producing spikes in the estimate. This can be accomplished by using a cylindrical KDE whose 2-D support area is wedge-shaped and applying the MFP KDE to the radial component of the cylindrical KDE. These cylindrical KDEs use 2-D (r,θ) cylindrical coordinates with no dependence in axial dimension z. This paper derives the cylindrical KDE and the cylindrical MFP KDE and tests them on a reactor physics pin-cell benchmark problem, producing accurate estimates of flux and reaction rate densities with differences less than 0.5% when compared to a reference histogram. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Preprocessing Analysis of the Multi Isotope Process Monitor

The Multi-Isotope Process (MIP) Monitor is a nondestructive monitoring methodology to detect diversion and tampering of nuclear material at a reprocessing facility. The system measures the gamma-emitting isotopes in different stages of the reprocessing cycle through passive gamma spectroscopy. The indicators of isotopic distributions are measured and evaluated in near-real time by comparing measured spectra to expected, normal process spectra through multivariate analysis. The MIP monitor framework is compatible with medium resolution gamma detectors that can be easily deployed in an existing facility. In FY15, the MIP monitor was deployed at the H-Canyon Facility at Savannah River National Laboratory (SRNL) to develop and evaluate analysis algorithms for future in situ deployment. This paper discusses recent results from analysis of the data collected at SRNL. New results examine the preprocessing step of spectral alignment that is associated with the MIP monitor.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Prognostic, predictive, and pharmacogenomic assessments of CDX 2 refine stratification of colorectal cancer

We aimed to refine the value of CDX 2 as an independent prognostic and predictive biomarker in colorectal cancer ( CRC ) according to disease stage and chemotherapy sensitivity in preclinical models. CDX 2 expression was evaluated in 1045 stage I– IV primary CRC s by gene expression ( n = 403) or immunohistochemistry ( n = 642) and in relation to 5‐year relapse‐free survival ( RFS ), overall survival ( OS ), and chemotherapy. Pharmacogenomic associations between CDX 2 expression and 69 chemotherapeutics were assessed by drug screening of 35 CRC cell lines. CDX 2 expression was lost in 11.6% of cases and showed independent poor prognostic value in multivariable models. For individual stages, CDX 2 was prognostic only in stage IV , independent of chemotherapy. Among stage I– III patients not treated in an adjuvant setting, CDX 2 loss was associated with a particularly poor survival in the BRAF ‐mutated subgroup, but prognostic value was independent of microsatellite instability status and the consensus molecular subtypes. In stage III , the 5‐year RFS rate was higher among patients with loss of CDX 2 who received adjuvant chemotherapy than among patients who did not. The CDX 2‐negative cell lines were significantly more sensitive to chemotherapeutics than CDX 2‐positive cells, and the multidrug resistance genes MDR 1 and CFTR were significantly downregulated both in CDX 2‐negative cells and in patient tumors. Loss of CDX 2 in CRC is an adverse prognostic biomarker only in stage IV disease and appears to be associated with benefit from adjuvant chemotherapy in stage III . Early‐stage patients not qualifying for chemotherapy might be reconsidered for such treatment if their tumor has loss of CDX 2 and mutated BRAF .

Bruun, Jarle↗
DOE OSTI2015

Interannual to decadal climate variability of sea salt aerosols in the coupled climate model CESM1.0

This study reported herein examines multi-year climate variability associated with sea salt aerosols and their contribution to the variability of shortwave cloud forcing (SWCF) using a 150-year simulation for pre-industrial conditions of the Community Earth System Model version 1.0 (CESM1). The results suggest that changes in sea salt and related cloud and radiative properties on interannual timescales are dominated by the ENSO cycle. Sea salt variability on longer (interdecadal) timescales is associated with low-frequency Pacific ocean variability similar to the interdecadal Pacific Oscillation (IPO), but does not show a statistically significant spectral peak. A multivariate regression suggests that sea salt aerosol variability may contribute to SWCF variability in the tropical Pacific, explaining up to 25-35% of the variance in that region. Elsewhere, there is only a small aerosol influence on SWCF through modifying cloud droplet number and liquid water path that contributes to the change of cloud effective radius and cloud optical depth (and hence cloud albedo), producing a multi-year aerosol-cloud-wind interaction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Consequences of systematic model drift in DYNAMO MJO hindcasts with SP-CAM and CAM5

Hindcast simulations of MJO events during the dynamics of the MJO (DYNAMO) field campaign are conducted with two models, one with conventional parameterization (CAM5) and a comparable model that utilizes superparameterization (SP–CAM). SP–CAM is shown to produce a qualitatively better reproduction of the fluctuations of precipitation and low–level zonal wind associated with the first two DYNAMO MJO events compared to CAM5. Interestingly, skill metrics using the real–time multivariate MJO index (RMM) suggest the opposite conclusion that CAM5 has more skill than SP–CAM. This inconsistency can be explained by a systematic increase of RMM amplitude with lead time, which results from a drift of the large–scale wind field in SP–CAM that projects strongly onto the RMM index. CAM5 hindcasts exhibit a contraction of the moisture distribution, in which extreme wet and dry conditions become less frequent with lead time. SP–CAM hindcasts better reproduce the observed moisture distribution, but also have stronger drift patterns of moisture budget terms, such as an increase in drying by meridional advection in SP–CAM. This advection tendency in SP–CAM appears to be associated with enhanced off–equatorial synoptic eddy activity with lead time. In conclusion, systematic drift moisture tendencies in SP–CAM are of similar magnitude to intraseasonal moisture tendencies, and therefore are important for understanding MJO prediction skill.

42 ENGINEERING↗
DOE OSTI2016

Frequency, pressure and strain dependence of nonlinear elasticity in Berea Sandstone

Acoustoelasticity measurements in a sample of room dry Berea sandstone are conducted at various loading frequencies to explore the transition between the quasi-static ( f → 0) and dynamic (few kilohertz) nonlinear elastic response. We carry out these measurements at multiple confining pressures and perform a multivariate regression analysis to quantify the dependence of the harmonic content on strain amplitude, frequency, and pressure. The modulus softening (equivalent to the harmonic at 0f) increases by a factor 2–3 over 3 orders of magnitude increase in frequency. Harmonics at 2f, 4f, and 6f exhibit similar behaviors. In contrast, the harmonic at 1f appears frequency independent. This result corroborates previous studies showing that the nonlinear elasticity of rocks can be described with a minimum of two physical mechanisms. This study provides quantitative data that describes the rate dependency of nonlinear elasticity. Furthermore, these findings can be used to improve theories relating the macroscopic elastic response to microstructural features.

58 GEOSCIENCES↗
DOE OSTI2016

Influences and interactions of inundation, peat, and snow on active layer thickness

The effect of three environmental conditions: 1) thickness of organic soil, 2) snow depth, and 3) soil moisture content or water table height above and below the soil surface, on active layer thickness (ALT) are investigated using an ensemble of 1D thermal hydrology models. Sensitivity analyses of the ensemble exposed the isolated influence of each environmental condition on ALT and their multivariate interactions. The primary and interactive influences are illustrated in the form of color maps of ALT change. Results show that organic layer acts as a strong insulator, and its thickness is the dominant control of ALT, but the strength of the effect of organic layer thickness is dependent on the saturation state. Snow depth, subsurface saturation, and ponded water depth are strongly codependent and positively correlated to ALT.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Dynamic Stabilization of Metastable States in Triple-Well Ferroelectric Sn 2 P 2 S 6

Polarization dynamics in ferroelectric materials is governed by the effective potential energy landscape of the order parameter. The unique aspect of ferroelectrics compared to many other transitions is the possibility of more than two potential wells, leading to complicated energy landscapes with new fundamental and functional properties. In this work, direct dynamic evidence is revealed of a triple-well potential in the metal thiophosphate Sn 2 P 2 S 6 compound using multivariate scanning probe microscopy combined with theoretical simulations. The key finding is that the metastable zero polarization state can be accessed through a gradual switching process and is stabilized over a broad range of electric fields. Simulations confirm that the observed zero polarization state originates from a kinetic stabilization of the nonpolar state of the triple-well, as opposed to domain walls. Dynamically, the triple-well of Sn 2 P 2 S 6 becomes equivalent to antiferroelectric hysteresis loops. Therefore, this material combines the robust and well-defined domain structure of a proper ferroelectric with dynamic hysteresis loops present in antiferroelectrics. Moreover, the triple-well enhances mem-capacitive effects in Sn 2 P 2 S 6 , which are forbidden for ideal double-well ferroelectrics. These findings provide a path to tunable electronic elements for beyond binary high-density computing devices and neuromorphic circuits based on dynamic properties of the triple-well.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Direct Imaging of the Relaxation of Individual Ferroelectric Interfaces in a Tensile-Strained Film

Understanding the dynamic behavior of interfaces in ferroic materials is an important field of research with widespread practical implications, as the motion of domain walls and phase boundaries are associated with substantial increases in dielectric and piezoelectric effects. Although commonly studied in the macroscopic regime, the local dynamics of interfaces have received less attention, with most studies limited to domain growth and/or reversal by piezoresponse force microscopy (PFM). Here, spatial mapping of local domain wall-related relaxation in a tensile-strained PbTiO 3 thin film using time-resolved band-excitation PFM is demonstrated, which allows exploring of the field-induced strain (piezoresponse) as a function of applied voltage and time. Through multivariate statistical analysis on the resultant 4-dimensional dataset (x,y,V,t) with functional fitting, it is determined that the relaxation is strongly correleated with the distance to the domain walls, and varies based on the type of domain wall present in the probed volume. Phase-field modeling shows the relaxation behavior near and away from the interfaces, and confirms the modulation of the z-component of polarization by wall motion, yielding the observed piezoresponse relaxation. Lastly, these studies shed light on the local dynamics of interfaces in ferroelectric thin films, and are therefore important for the design of ferroelectric-based components in microelectromechanical systems.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Euler-euler anisotropic gaussian mesoscale simulation of homogeneous cluster-induced gas-particle turbulence

An Euler–Euler anisotropic Gaussian approach (EE-AG) for simulating gas–particle flows, in which particle velocities are assumed to follow a multivariate anisotropic Gaussian distribution, is used to perform mesoscale simulations of homogeneous cluster-induced turbulence (CIT). A three-dimensional Gauss–Hermite quadrature formulation is used to calculate the kinetic flux for 10 velocity moments in a finite-volume framework. The particle-phase volume-fraction and momentum equations are coupled with the Eulerian solver for the gas phase. This approach is implemented in an open-source CFD package, OpenFOAM, and detailed simulation results are compared with previous Euler–Lagrange simulations in a domain size study of CIT. Here, these results demonstrate that the proposed EE-AG methodology is able to produce comparable results to EL simulations, and this moment-based methodology can be used to perform accurate mesoscale simulations of dilute gas–particle flows.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Risk of work injury among adolescent students from single and partnered parent families

Background Parental involvement in keeping their children safe at work has been examined in a handful of studies, with mixed results. Evidence has suggested that non‐work injury risk is higher among children from single‐parent families, but little is known about their risk for work‐related injuries. Methods Five survey cycles of the Canadian Community Health Survey were pooled to create a nationally representative sample of employed 15–19‐year old students (N = 16,620). Multivariable logistic regression estimated the association between family status and work injury. Results Risk of work‐related repetitive strains (OR:1.24, 95%CI: 0.69–2.22) did not differ by family type. However, children of single parents were less likely to sustain a work injury receiving immediate medical care (OR:0.43, 95%CI: 0.19–0.96). Conclusion Despite advantages and disadvantages related to family types, there is no evidence that work‐related injury risk among adolescents from single parent families is greater than that of partnered‐parent families. Am. J. Ind. Med. 60:285–294, 2017. © 2017 Wiley Periodicals, Inc.

Wong, Imelda S.↗