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Molecular dynamics studies of helium bubble effects on grain boundary fracture vulnerabilities in an Fe70Ni11Cr19–1%H austenitic stainless steel

Journal of Nuclear Materials

Zhou, Xiaowang; Foster, Michael E.; Sills, R.B.

Comprehensive molecular dynamics tensile test simulations have been performed to study the delamination processes of seven different grain boundaries / cleavage planes (Σ1{111}, Σ3{111}, Σ5{100}, Σ7{111}, Σ9{411}, Σ11{311}, and R{100}/{411}) containing a helium bubble. Combinations of a variety of conditions are explored including different strain rates, system dimensions, bubble density, bubble radius, bubble pressure, and temperature. We found that in general, grain boundaries absorb less energies with decreasing strain rate but increasing bubble areal density, bubble pressure, bubble radius, and temperature. The propensity of grain boundary delamination is sensitive to grain boundary type: The random grain boundary R{100}/{411} is one of the most brittle boundaries whereas the Σ1{111} cleavage plane and the Σ3{111} twin boundary are two of the toughest boundaries. The sorted list of grain boundary fracture vulnerability obtained from our dynamic tensile test simulations differs from the one obtained from our decohesion energy calculations, confirming the important role of plastic deformation during fracture. Detailed mechanistic analyses are performed to interpret the simulated results.

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TYPE Journal Article YEAR 2022
DOIOSTIScopus

Detecting hidden transient events in noisy nonlinear time-series

Chaos

Montoya, Angela C.; Habtour, E.; Moreu, F.

The information impulse function (IIF), running Variance, and local Hölder Exponent are three conceptually different time-series evaluation techniques. These techniques examine time-series for local changes in information content, statistical variation, and point-wise smoothness, respectively. Using simulated data emulating a randomly excited nonlinear dynamical system, this study interrogates the utility of each method to correctly differentiate a transient event from the background while simultaneously locating it in time. Computational experiments are designed and conducted to evaluate the efficacy of each technique by varying pulse size, time location, and noise level in time-series. Our findings reveal that, in most cases, the first instance of a transient event is more easily observed with the information-based approach of IIF than with the Variance and local Hölder Exponent methods. While our study highlights the unique strengths of each technique, the results suggest that very robust and reliable event detection for nonlinear systems producing noisy time-series data can be obtained by incorporating the IIF into the analysis.

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TYPE Journal Article YEAR 2022
DOIOSTIScopus

2022 MB3a Infrasound Sensor Type Approval Evaluation

Merchant, Bion J.

Sandia National Laboratories has tested and evaluated an updated version of the MB3a infrasound sensor, designed by CEA and manufactured by SeismoWave. The purpose of this infrasound sensor evaluation is to measure the performance characteristics in such areas as power consumption, sensitivity, full scale, self-noise, dynamic range, response, passband, sensitivity variation due to changes in barometric pressure and temperature, and sensitivity to acceleration. The MB3a infrasound sensors are being evaluated for use in the International Monitoring System (IMS) of the Preparatory Commission to the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO).

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TYPE SAND Report YEAR 2022
DOIOSTI

Onboarding in a Virtual Environment

Khan, Rabia; Miller, Michelle; Valerio, Analise; Willhite, Isabella; Hernandez, Zachary

A need for a standardized Division 10000 onboarding program for virtual hires was identified by management to formalize the way employees and interns are onboarded and trained into Division 10000. This white paper provides effective short and long-term suggestions in the efforts of improving virtual onboarding. Data suggests that remote work is going to become the forefront of many industry practices, which indicates the need of a standardized virtual onboarding practices. With our research, gap assessments, benchmarking, and conducting interviews both internally and externally, we found that clarity, culture, and connection proved to be the strongest solutions in order to maintain Sandia’s competitive edge and sustain workers both remote and in-person.

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TYPE Other Report YEAR 2022
DOIOSTI

Using a surrogate-assisted Bayesian framework to calibrate the runoff-generation scheme in the Energy Exascale Earth System Model (E3SM) v1

Geoscientific Model Development

Xu, Donghui; Bisht, Gautam; Sargsyan, Khachik; Liao, Chang; Ruby Leung, L.

Runoff is a critical component of the terrestrial water cycle, and Earth system models (ESMs) are essential tools to study its spatiotemporal variability. Runoff schemes in ESMs typically include many parameters so that model calibration is necessary to improve the accuracy of simulated runoff. However, runoff calibration at a global scale is challenging because of the high computational cost and the lack of reliable observational datasets. In this study, we calibrated 11 runoff relevant parameters in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) using a surrogate-assisted Bayesian framework. First, the polynomial chaos expansion machinery with Bayesian compressed sensing is used to construct computationally inexpensive surrogate models for ELM-simulated runoff at 0.5 × 0.5 for 1991-2010. The error metric between the ELM simulations and the benchmark data is selected to construct the surrogates, which facilitates efficient calibration and avoids the more conventional, but challenging, construction of high-dimensional surrogates for the ELM simulated runoff. Second, the Sobol' index sensitivity analysis is performed using the surrogate models to identify the most sensitive parameters, and our results show that, in most regions, ELM-simulated runoff is strongly sensitive to 3 of the 11 uncertain parameters. Third, a Bayesian method is used to infer the optimal values of the most sensitive parameters using an observation-based global runoff dataset as the benchmark. Our results show that model performance is significantly improved with the inferred parameter values. Although the parametric uncertainty of simulated runoff is reduced after the parameter inference, it remains comparable to the multimodel ensemble uncertainty represented by the global hydrological models in ISMIP2a. Additionally, the annual global runoff trend during the simulation period is not well constrained by the inferred parameter values, suggesting the importance of including parametric uncertainty in future runoff projections.

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TYPE Journal Article YEAR 2022
DOIOSTIScopus
Results 7851–7900 of 101,000
Results 7851–7900 of 101,000
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