Using the material point method to model chemical/mechanical coupling in the deformation of a silicon anode. (12th April 2017)

• Record Type: Journal Article
• Authors: Gritton, Chris; Guilkey, James; Hooper, Justin; Bedrov, Dmitry; Kirby, Robert M; Berzins, Martin
• Is Part Of: Modelling and simulation in materials science and engineering. Volume 25:Number 4(2017)
• Publication Date: 2017-04-12
• Subjects: material point method -- MPM -- silicon anode -- lithium ion batteries -- large deformations; Materials -- Mathematical models -- Periodicals; Matériaux -- Modèles mathématiques -- Périodiques; Materials -- Mathematical models; Periodicals; 620.00113
• DOI: 10.1088/1361-651X/aa6830
• Languages: English
• ISSNs: 0965-0393

Abstract

Abstract: The lithiation and delithiation of a silicon battery anode is modeled using the material point method (MPM). The main challenges in modeling this process using the MPM is to simulate stress dependent diffusion coupled with concentration dependent stress within a material that undergoes large deformations. MPM is chosen as the numerical method of choice because of its ability to handle large deformations. A method for modeling diffusion within MPM is described. A stress dependent model for diffusivity and three different constitutive models that fully couple the equations for stress with the equations for diffusion are considered. Verifications tests for the accuracy of the numerical implementations of the models and validation tests with experimental results show the accuracy of the approach. The application of the fully coupled stress diffusion model implemented in MPM is applied to modeling the lithiation and delithiation of silicon nanopillars.