Heteroepitaxy of FCC-on-FCC systems of large misfit
نویسندگان
چکیده
To understand the effects of lattice mismatch on heteroepitaxial growth, we have studied equilibrium structure and orientation relationships (ORs) FCC films grown epitaxially substrates, using molecular dynamics simulations in conjunction with embedded atom method potentials. Three film/substrate systems been investigated, namely: Ag Cu, Ni Pb Al. These cover a significant range mismatch, from 12.6% for Ag/Cu to 21.8% Pb/Al. For each system, ORs six different substrate orientations, (100), (511), (311), (211), (322) (111), investigated. Films these susbstrates gradual transition oct-cube relationship, which occurs only (100) heterotwin often (111) substrates. It is found that resulting vary systematically orientation, but pattern variation almost identical all three systems, therefore largely independent mismatch. However, manner accommodated does depend magnitude Simulations point an important role edge-to-edge matching defects such as stacking faults. An analysis results terms transformation strains highlights distinction between ORs, are local interfacial structure, changes directly
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ژورنال
عنوان ژورنال: Acta Materialia
سال: 2022
ISSN: ['1873-2453', '1359-6454']
DOI: https://doi.org/10.1016/j.actamat.2021.117550