Abstract
This study shows that the mechanical strength of the composite of Fe matrix and titanium carbide(TiC)ceramic particles is significantly enhanced with addition of molybdenum(Mo)atoms.TiC reinforced Fe(Fe-0.2C-7Mn)composites with and without Mo were fabricated by a liquid pressing infiltration(LPI)process and the effect of Mo on interfacial properties of TiC-Fe composite was investigated using atomic probe tomography(APT)analysis,molecular dynamics(MD)simulations,first-principle density functional theory(DFT),and thermodynamic calculations.First,DFT calculations showed that total energies of the Mo-doped TiC-Fe superlattices strongly depend on the position of Mo defects,and are minimized when the Mo atom is located at the TiC/Fe interface,supporting the probable formation of MoC-like interphase at the TiC/Fe interface region.Then,APT analysis confirmed the DFT predictions by finding that about 6.5 wt.％Mo is incorporated in the TiC-Fe(Mo)composite and that sub-micrometer thick(Ti,Mo)C in-terphase is indeed formed near the interface.The MD simulations show that Mo atoms migrate to the Mo-free TiC-Fe interface at elevated temperatures and the mechanical strength of the interface is consid-erably enhanced,which is in good agreement with experimental observations.
基金项目
Fundamental Re-search Program(PNK7480)
Korea Institute of Materials Science()
National Research Foundation of Ko-reaNRF)the Korea government(NRF-2020M3H4A3105943)
Basic Sci-ence Research Program through the National Research Founda-tion of KoreaNRF()
Ministry of Education(NRF2014R1A1A2059123)
NETL
NSTL
维普
万方数据