Multi?scale model predicting friction of crystalline materials

نویسندگان

چکیده

We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded the classical thermally activated two-dimensional Prandtl-Tomlinson model, linked with First Principles methods to accurately capture properties of real materials. It allows investigating energy dissipation due friction materials as it arises directly from their electronic structure, and naturally accessing time-scale range typical force microscopy. This opens new possibilities broad class material surfaces atomically tailored properties. apply layered reveal delicate interplay between topology landscape that known static approaches solely barriers fail capture.

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ژورنال

عنوان ژورنال: Advanced Materials Interfaces

سال: 2021

ISSN: ['2196-7350']

DOI: https://doi.org/10.1002/admi.202100914