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de Klerk, N.J.J. (author), van der Maas, E.L. (author), Wagemaker, M. (author)Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte andelectrode materials. From molecular dynamics simulations, manyproperties relevant to diffusion can be obtained, including the<br/>diffusion path, amplitude of vibrations, jump rates, radial distribution functions, and collective diffusion...journal article 2018
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Van der Ven, A. (author), Garikipati, K. (author), Kim, S. (author), Wagemaker, M. (author)We investigate the role of coherency strains on the thermodynamics of two-phase coexistence during Li (de)intercalation of LixFePO4. We explicitly account for the anisotropy of the elastic moduli and analytically derive coupled chemical and mechanical equilibrium criteria for two-phase morphologies observed experimentally. Coherent two-phase...journal article 2009