1 citations · 1 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2021
Atomistic simulations of surface reactions in ultra-high-temperature ceramics: O2, H2O and CO adsorption and dissociation on ZrB2 (0001) surfaces
Yanhui Zhang, Stefano Sanvito
Understanding surface reactivity is crucial in many fields, going from heterogeneous catalysis to materials oxidation and corrosion. In order to decipher the surface reactions of Z…
cond-mat.mtrl-sci2019★ 1 cited
Pushing the limits of atomistic simulations towards ultra-high temperature: a machine-learning force field for ZrB2
Yanhui Zhang, Alessandro Lunghi, Stefano Sanvito
Determining thermal and physical quantities across a broad temperature domain, especially up to the ultra-high temperature region, is a formidable theoretical and experimental chal…
cond-mat.mtrl-sci2019
Interface engineering of graphene nanosheet reinforced ZrB composites by tuning surface contacts
Yanhui Zhang, Stefano Sanvito
The mechanical properties of heterophase interfaces are critically important for the behaviour of graphene-reinforced composites. In this work, the structure, adhesion, cleavage an…