Enhanced Generic Phase-field Model of Irradiation Materials: Fission Gas Bubble Growth Kinetics in Polycrystalline UO2

Experiments show that inter-granular and intra-granular gas bubbles have different growth kinetics which results in heterogeneous gas bubble microstructures in irradiated nuclear fuels. A science-based model predicting the heterogeneous microstructure evolution kinetics is desired, which enables one to study the effect of thermodynamic and kinetic properties of the system on gas bubble microstructure evolution kinetics and morphology, improve the understanding of the formation mechanisms of heterogeneous gas bubble microstructure, and provide the microstructure to macroscale approaches to study their impact on thermo-mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking. In our previous report 'Mesoscale Benchmark Demonstration, Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing', we developed a phase-field model to simulate the intra-granular gas bubble evolution in a single crystal during post-irradiation thermal annealing. In this work, we enhanced the model by incorporating thermodynamic and kinetic properties at grain boundaries, which can be obtained from atomistic simulations, to simulate fission gas bubble growth kinetics in polycrystalline UO2 fuels. The model takes into account of gas atom and vacancy diffusion, vacancy trapping and emission at defects, gas atom absorption and resolution at gas bubbles, internal pressure in gas bubbles, elastic interaction between defects and gas bubbles, and the difference of thermodynamic and kinetic properties in matrix and grain boundaries. We applied the model to simulate gas atom segregation at grain boundaries and the effect of interfacial energy and gas mobility on gas bubble morphology and growth kinetics in a bi-crystal UO2 during post-irradiation thermal annealing. The preliminary results demonstrate that the model can produce the equilibrium thermodynamic properties and the morphology of gas bubbles at grain boundaries for given grain boundary properties. More validation of the model capability in polycrystalline is underway

Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps

This one-year, study topic project will survey and investigate the known state-of-the-art of modeling and simulation methods suitable for performing fine-scale, fully 3-D modeling, of the growth of CZT crystals at the melt-solid interface, and correlating physical growth and post-growth conditions with generation and incorporation of defects into the solid CZT crystal. In the course of this study, this project will also identify the critical gaps in our knowledge of modeling and simulation techniques in terms of what would be needed to be developed in order to perform accurate physical simulations of defect generation in melt-grown CZT. The transformational nature of this study will be, for the first time, an investigation of modeling and simulation methods for describing microstructural evolution during crystal growth and the identification of the critical gaps in our knowledge of such methods, which is recognized as having tremendous scientific impacts for future model developments in a wide variety of materials science areas

Extensive necrotizing fasciitis of scrotum and abdominal wall: Report of two cases and a review of the literature

The incidence rate of necrotizing fasciitis(NF) is low, but it has a high mortality rate. At present, it lacks experience in clinical treatment in municipal and county-level hospitals, insufficient awareness of disease risk, lack of experience in disease surgical intervention, and lack of a set of mature treatment norms and standards. Most patients have no time to transfer to a higher hospital for treatment. In January and April 2022, two cases of large-scale necrotizing fasciitis of the scrotum and abdominal wall were treated in the Department of Urology of Weifang people's Hospital respectively and were clinically cured after active surgical debridement combined with broad-spectrum antibiotics. Through the retrospective analysis of the diagnosis and treatment of two cases of necrotizing fasciitis, this paper analyzes and summarizes the scope of surgical debridement of NF, postoperative dressing changing skills, timing of multiple debridements, application and timing of vacuum sealing drainage(VSD), and the combined use of antibiotics. To provide experience for clinical diagnosis and treatment of necrotizing fasciitis

PROGRESS ON GENERIC PHASE-FIELD METHOD DEVELOPMENT

In this report, we summarize our current collobarative efforts, involving three national laboratories: Idaho National Laboratory (INL), Pacific Northwest National Laboratory (PNNL) and Los Alamos National Laboatory (LANL), to develop a computational framework for homogenous and heterogenous nucleation mechanisms into the generic phase-field model. During the studies, the Fe-Cr system was chosen as a model system due to its simplicity and availability of reliable thermodynamic and kinetic data, as well as the range of applications of low-chromium ferritic steels in nuclear reactors. For homogenous nucleation, the relavant parameters determined from atomistic studies were used directly to determine the energy functional and parameters in the phase-field model. Interfacial energy, critical nucleus size, nucleation rate, and coarsening kinetics were systematically examined in two- and three- dimensional models. For the heteregoneous nucleation mechanism, we studied the nucleation and growth behavior of chromium precipitates due to the presence of dislocations. The results demonstrate that both nucleation schemes can be introduced to a phase-field modeling algorithm with the desired accuracy and computational efficiency

Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

A study was conducted to evaluate the capabilities of different numerical methods used to represent microstructure behavior at the mesoscale for irradiated material using an idealized benchmark problem. The purpose of the mesoscale benchmark problem was to provide a common basis to assess several mesoscale methods with the objective of identifying the strengths and areas of improvement in the predictive modeling of microstructure evolution. In this work, mesoscale models (phase-field, Potts, and kinetic Monte Carlo) developed by PNNL, INL, SNL, and ORNL were used to calculate the evolution kinetics of intra-granular fission gas bubbles in UO2 fuel under post-irradiation thermal annealing conditions. The benchmark problem was constructed to include important microstructural evolution mechanisms on the kinetics of intra-granular fission gas bubble behavior such as the atomic diffusion of Xe atoms, U vacancies, and O vacancies, the effect of vacancy capture and emission from defects, and the elastic interaction of non-equilibrium gas bubbles. An idealized set of assumptions was imposed on the benchmark problem to simplify the mechanisms considered. The capability and numerical efficiency of different models are compared against selected experimental and simulation results. These comparisons find that the phase-field methods, by the nature of the free energy formulation, are able to represent a larger subset of the mechanisms influencing the intra-granular bubble growth and coarsening mechanisms in the idealized benchmark problem as compared to the Potts and kinetic Monte Carlo methods. It is recognized that the mesoscale benchmark problem as formulated does not specifically highlight the strengths of the discrete particle modeling used in the Potts and kinetic Monte Carlo methods. Future efforts are recommended to construct increasingly more complex mesoscale benchmark problems to further verify and validate the predictive capabilities of the mesoscale modeling methods used in this study

Get More Out of Variable Speed Limit (VSL) Control: An Integrated Approach to Manage Traffic Corridors with Multiple Bottlenecks

The model based variable speed limit (VSL) control has been proven effective to resolve capacity-drop and time delay at a single recurrent bottleneck in previous studies. This project applies VSL controls to the traffic corridors with multi-segment and multi-bottleneck with the objective of reducing fuel consumption and greenhouse gas emissions. Based on a comprehensive review of existing methods, we develop and compare two fuel consumption centered VSL control (FC-VSL) strategies: flow-based control versus density-based control. These control strategies are implemented in SUMO, a microscopic traffic simulation package, on a 10-mile long freeway section. Results show that the density-based control reduces fuel consumption and gas emissions significantly at the cost of slight increase of travel time. The flow-based control, in contrast, reduces congestion and emissions in the downstream segments but transfers the congestion to the segments upstream of the controlled segments, resulting in an overall performance that is worse than the density-based FC-VSL, and no better than imposing static speed limits

Surveillance of Hepatitis E Virus Contamination in Shellfish in China

Background: Hepatitis E virus (HEV) has been confirmed to be a zoonotic virus of worldwide distribution. HEV contamination in the water environment has not been well examined in China. The objective of this study was to evaluate HEV contamination in shellfish in a coastal area of China. Such contamination would be significant for evaluating public health risks. Methods: samples of three species shellfish were collected from thirteen points of estuarine tidal flats around the Bohai Gulf and screened for HEV RNA using an in-house nested RT-PCR assay. The detected HEV-positive samples were further verified by gene cloning and sequencing analysis. Results: the overall HEV-positive detection rate is approximately 17.5% per kilogram of shellfish.  HEV was more common among S. subcrenata (28.2%), followed by A. granosa (14.3%) and R. philippinarum (11.5%). The phylogenetic analysis of the 13 HEV strains detected revealed that gene fragments fell into two known 4 sub-genotypes (4b/4d) groups and another unknown group. Conclusions: 13 different sub-genotype 4 HEVs were found in contaminated shellfish in the Bohai Gulf rim. The findings suggest that a health risk may exist for users of waters in the Bonhai area and to consumers of shellfish.  Further research is needed to assess the sources and infectivity of HEV in these settings, and to evaluate additional shellfish harvesting areas

Enhanced Generic Phase-field Model of Irradiation Materials: Fission Gas Bubble Growth Kinetics in Polycrystalline UO2

Experiments show that inter-granular and intra-granular gas bubbles have different growth kinetics which results in heterogeneous gas bubble microstructures in irradiated nuclear fuels. A science-based model predicting the heterogeneous microstructure evolution kinetics is desired, which enables one to study the effect of thermodynamic and kinetic properties of the system on gas bubble microstructure evolution kinetics and morphology, improve the understanding of the formation mechanisms of heterogeneous gas bubble microstructure, and provide the microstructure to macroscale approaches to study their impact on thermo-mechanical properties such as thermo-conductivity, gas release, volume swelling, and cracking. In our previous report 'Mesoscale Benchmark Demonstration, Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing', we developed a phase-field model to simulate the intra-granular gas bubble evolution in a single crystal during post-irradiation thermal annealing. In this work, we enhanced the model by incorporating thermodynamic and kinetic properties at grain boundaries, which can be obtained from atomistic simulations, to simulate fission gas bubble growth kinetics in polycrystalline UO2 fuels. The model takes into account of gas atom and vacancy diffusion, vacancy trapping and emission at defects, gas atom absorption and resolution at gas bubbles, internal pressure in gas bubbles, elastic interaction between defects and gas bubbles, and the difference of thermodynamic and kinetic properties in matrix and grain boundaries. We applied the model to simulate gas atom segregation at grain boundaries and the effect of interfacial energy and gas mobility on gas bubble morphology and growth kinetics in a bi-crystal UO2 during post-irradiation thermal annealing. The preliminary results demonstrate that the model can produce the equilibrium thermodynamic properties and the morphology of gas bubbles at grain boundaries for given grain boundary properties. More validation of the model capability in polycrystalline is underway

Pore Water and Its Influences on the Nanopore Structures of Deep Longmaxi Shales in the Luzhou Block of the Southern Sichuan Basin, China

In the Luzhou Block of the southern Sichuan Basin, the deep Longmaxi shales have become important exploration targets in recent years. However, the water-bearing properties of these shales are still unclear, which significantly limits evaluations of reservoir pore structures and gas-in-place (GIP) contents. In this study, twelve fresh shale core samples were collected at the well site, and the pore water (CPW) and equilibrium water (CEW) contents, as well as the pore structures of the shales, were analyzed under both as-received and dried conditions. The results indicate that the deep shales have low water-bearing extents with a pore water content (CPW) of 3.82–16.67 mg/g, and that both the organic matter (OM) and inorganic matter (IM) pores can be used for pore water storage. The extent of influence of pore water on nonmicropores and IM pore structures is more significant than that on micropores and OM pore structures. Meanwhile, the pore water obviously reduces the retention effects of nanopores and may block nanopores with pore widths < 0.5 nm. An average of 40% of pore spaces were taken up by pore water in the studied deep shales in the Luzhou Block, and the residual pore surface area and pore volume of the shales were mainly contributed from micropores and nonmicropores, respectively