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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
1School of Mathematical, Physical, and Computational Sciences, University of Reading, Reading, RG6 6AX, United Kingdom.
This study introduces a hybrid simulation method for ferrofluid flow, accurately capturing small-scale behaviors and magnetic field effects. The new approach validates theoretical predictions for effective viscosity and magnetization dynamics in ferrofluids.
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