MD simulations with ML force fields reveal non-monotonic friction-load curves in MX2/metal heterostructures arising from coexistence of longitudinal, lateral-slip, and zig-zag sliding modes.
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A trust-region Bayesian optimization framework integrates LEED multiple scattering models to jointly optimize structural and experimental parameters for automated surface reconstruction.
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Microscopic contributions to the deviation from Amontons friction law
MD simulations with ML force fields reveal non-monotonic friction-load curves in MX2/metal heterostructures arising from coexistence of longitudinal, lateral-slip, and zig-zag sliding modes.
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Physics-informed automated surface reconstructing via low-energy electron diffraction based on Bayesian optimization
A trust-region Bayesian optimization framework integrates LEED multiple scattering models to jointly optimize structural and experimental parameters for automated surface reconstruction.