Towards a Scalable Multifidelity Simulation Approach for Electrokinetic Problems at the Mesoscale
In this work we present a computational capability featuring a hierarchy of models with different fidelities for the solution of electrokinetics problems at the micro-/nano-scale. A multifidelity approach allows the selection of the most appropriate model, in terms of accuracy and computational cost, for the particular application at hand. We demonstrate the proposed multifidelity approach by studying the mobility of a colloid in a micro-channel as a function of the colloid charge and of the size of the ions dissolved in the fluid.
KeywordsMultifidelity modeling Electrokinetics Colloid mobility
This work was supported by the U.S. Department of Energy Office of Science as part of the Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4), under Award Number DE-SC0009247. The work of B. Hong was performed during a Computer Science Research Institute (CSRI) summer internship at Sandia National Laboratories.
- 4.Heroux, M., Bartlett, R., Hoekstra, V.H.R., Hu, J., Kolda, T., Lehoucq, R., Long, K., Pawlowski, R., Phipps, E., Salinger, A., Thornquist, H., Tuminaro, R., Willenbring, J., Williams, A.: An overview of trilinos, Technical report SAND2003-2927, Sandia National Laboratories (2003)Google Scholar
- 5.Hong, B.D., Perego, M.: A comparative study of simplified models for ion crowding and correlation effects in electrolyte solutions. In: Carleton, J.B., Parks, M.L. (eds.) Center for Computing Research Summer Proceedings 2016, Technical report SAND2017-1294R, Sandia National Laboratories, pp. 191–200 (2016)Google Scholar
- 9.Lin, P.T., Shadid, J.N., Tuminaro, R.S., Sala, M., Hennigan, G.L., Pawlowski, R.P.: A parallel fully coupled algebraic multilevel preconditioner applied to multiphysics PDE applications: drift-diffusion, flow/transport/reaction, resistive MHD. Int. J. Numer. Meth. Fluids 64(10–12), 1148–1179 (2010)MathSciNetCrossRefzbMATHGoogle Scholar
- 10.Roth, R., Evans, R., Lang, A., Kahl, G.: Fundamental measure theory for hard-sphere mixtures revisited: the white bear version. J. Phys.: Condens. Matter 14, 12063 (2002)Google Scholar
- 11.Shepherd, J., et al.: Cubit Mesh Generation Toolkit, SAND2000-2647. Sandia National Laboratories, Albuquerque (2000)Google Scholar