DOE OSTI · 2581981
Surface phase diagrams from nested sampling
Abstract
From nested sampling, we compute the partition function and, from that, the phase diagram of gas adsorbates, including their anharmonic and configurational degrees of freedom, on flat and stepped surfaces of the Lennard-Jones solid.
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Yang, Mingrui (ORCID:0000000166285166), Pártay, Livia (ORCID:0000000332493586), Wexler, Robert (ORCID:0000000268616421). 2024-01-01. Surface phase diagrams from nested sampling. https://doi.org/10.1039/d4cp00050a
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