the Green-Kubo
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Reliable Viscosity Calculation from High-Pressure Equilibrium Molecular Dynamics: Case Study of 2,2,4-Trimethylhexane
Announce Type: replace Abstract: Viscosity is a fundamental property of liquid lubricants, yet it is challenging to determine accurately, especially at high pressures. Although equilibrium molecular dynamics (EMD) simulations are a promising alternative to resource-intensive experiments, practical challenges remain in assessing the sufficiency of simulation time and in controlling uncertainties in the Green-Kubo formalism due to the finite amount of trajectory data. In this work, we extend...
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Abstract Friction slows down moving objects at both macroscopic and microscopic scales1. At the electronic level, quantum friction describes direct transfer of momentum between a liquid and the electrons of a solid2. Owing to its microscopic nature, this phenomenon remains experimentally challenging to capture3.