Community-Driven Benchmark Problems for Phase Field Modeling
- 1. This work was performed under the following financial assistance award 70NANB19H005 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD). chimad.northwestern.edu Benchmark III Problems: Fluid Flow & Electrochemistry Fluid Flow • Stokes Flow: Incompressible fluid & low Reynolds number u is the local fluid velocity field, 𝛍 the dynamic viscosity, p the local pressure, g field of external acceleration, and 𝛒0 the fluid density Pressure and velocity components for 2D flow Electrochemical Problem • Simplified electrochemistry: Charge conservation, distribution, and mass diffusion Initial (left) and final (right) concentration field under the evolution of diffusion with an applied external potential Continuity Momentum P Vy Vx Reveal L2 error resulting from meshing and/or solver Mass Diffusion Electrochemical Potential Charge Distribution Without external potential, mass pattern is different Future Plans Benchmark problems on homogeneous and heterogeneous nucleation Uploading to PFHub website https://pages.nist.gov/pfhub/ OBJECTIVES AND GOALS The Phase Field Method is a common mesoscale modeling technique Many phase field codes exist using many numerical methods and approaches We need confidence to use quantitative phase field results in Integrated Computational Materials Engineering Phase Field Methods Community-Driven Benchmark Problems for Phase Field Modeling A.M. Jokisaari1, W. Wu2, P.W. Voorhees3, J.E. Guyer4, J. Warren4, D. Hweeler4, O.G. Heinonen2,5 1Idaho National Laboratory, 2Argonne National Laboratory, 3Northwestern University, 4National Institute of Standards and Technology, 5Northwestern- Argonne Institute of Science and Technology Standard benchmark problems allow comparison and testing • Models, algorithms, implementations • Solution accuracy, solver optimizations, code modifications Benchmark problems are also pedagogical tools for teaching phase field methods Website for benchmark problems: https://pages.nist.gov/pfhub/