Physicsnpj Computational Materials
Solids that are also liquids: elastic tensors of superionic materials
G. Materzanini, T. Chiarotti, et al.
Discover how superionic materials challenge our understanding of elasticity! Researchers Giuliana Materzanini, Tommaso Chiarotti, and Nicola Marzari unveil a groundbreaking method leveraging ensemble fluctuations from Car-Parrinello simulations to calculate elastic tensors, particularly in Li-ion conductors. This approach emphasizes the need for dynamic treatment over static methods, which often misestimate elastic response.
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