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An opportunity exists for a PhD - level researcher to develop computational multiphysics models and data analysis tools to support NETL's solid oxide fuel cells research. Research efforts focus primarily on: (1) the development of models that accurately represent relevant physical and chemical processes within a fuel cell; and (2) the calibration, validation, and utilization of those models using detailed in-house experiments and independently published reports. Among individual model development tasks, priority has been assigned to ensure that the models and tools are computationally efficient, widely accessible, and share data among discrete modules. This position will provide support to transfer existing models to a high-performance computing platform, operate the models to ensure accurate results are being obtained, apply user interfaces on models to facilitate broader accessibility, and integrate component models.
Primary Responsibilities Include:
- Generate, enhance, and increase efficiency of fuel cell component models using commercially relevant programs and modeling techniques to facilitate rapid execution;
- Establish user interfaces for various fuel cell modeling modules to permit a novice simulator to complete relevant simulations;
- Implement a methodology for data exchange between independent modules, ultimately producing a comprehensive SOFC performance model;
- Ensure that models utilize efficient computational methods, including computations in true parallel fashion;
- Utilize the developed models and tools in collaboration with other members of the NETL research group and with SOFC program partners.
These research efforts currently involve, but are not limited to, the following:
- Incorporate multistep reaction mechanisms for oxygen reduction and fuel oxidation (e.g., hydrogen, methane, coal syngas) for better understanding of physical and chemical processes within SOFCs.
- Develop/Calibrate high-fidelity simulations of impedance behavior and polarization analysis for cell performance analysis.
- Incorporate multiple cell performance degradation modes such as grain coarsening, crack formation/electrode delamination, secondary phase formation, etc.
- Establish numerical models for nanoparticle infiltration into fuel cell electrodes.
- Perform Computational Fluid Dynamics (CFD) simulations using commercial software (COMSOL & ANSYS Fluent) for optimum experimental design.
- Optimize electrode microstructural and/or material properties based on conventional and/or novel electrode materials/fabrication techniques.
- Relevant PhD degree and possess demonstrable skill in advanced mathematical algorithms and computational methods for solving complex reaction and transport problems; and 2 years prior relevant experience.
- The candidate will also possess significant experience in identified computer programming (C++, FORTRAN, MATLAB) and will preferably have experience in programming simulation jobs within a high-performance computing environment (e.g. parallel processing and programming in a message passing interface (MPI) environment).
- The candidate should possess excellent communication skills and should have a history of taking part in collaborations between modeling and experimental research efforts.
- 2+ years postdoctoral experience and have experience in modeling of solid oxide fuel cells in a collaborative work environment such as the National Energy Technology Laboratory.