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.

Seungchan Cho;Junghwan Kim;Ilguk Jo;Jae Hyun Park;Jaekwang Lee;Hyun-Uk Hong;Bong Ho Lee;Wook Ryol Hwang;Dong-Woo Suh;Sang-Kwan Lee;Sang-Bok Lee

Composites Research Division,Korea Institute of Materials Science(KIMS),Changwon 51508,South Korea;Advanced Materials Engineering,Dong-Eui University,Busan 47340,South Korea;Department of Aerospace and Software Engineering,Gyeongsang National University,Jinju 52828,South Korea;Department of Physics,Pusan National University,Busan 46241,South Korea;Department of Materials Convergence and System Engineering,Changwon National University,Changwon 51140,South Korea;Center for Core Research Facilities,Daegu Gyeongbuk Institute of Science and Technology,Daegu 42988,South Korea;School of Mechanical Engineering,Gyeongsang National University,Jinju 52828,South Korea;Graduate Institute of Ferrous Technology,Pohang University of Science and Technology,Gyeongbuk 37673,South Korea

材料科学技术（英文版）

[1]Seungchan Cho;Junghwan Kim;Ilguk Jo;Jae Hyun Park;Jaekwang Lee;Hyun-Uk Hong;Bong Ho Lee;Wook Ryol Hwang;Dong-Woo Suh;Sang-Kwan Lee;Sang-Bok Lee-.Effect of molybdenum on interfacial properties of titanium carbide reinforced Fe composite)[J].材料科学技术（英文版）,2022(12):252-258

terphase

Effect,molybdenum,interfacial,properties,titanium,carbide,reinforced,This,study,shows,that,mechanical,strength,matrix,TiC,ceramic,particles,significantly,enhanced,addition,atoms,2C,7Mn,composites,without,were,fabricated,by,liquid,pressing,infiltration,LPI,process,effect,was,investigated,using,atomic,probe,tomography,APT,analysis,molecular,dynamics,MD,simulations,first,principle,density,functional,theory,DFT,thermodynamic,calculations,First,showed,total,energies,doped,superlattices,strongly,depend,position,defects,are,minimized,when,located,interface,supporting,probable,formation,MoC,like,interphase,region,Then,confirmed,predictions,finding,about,wt,incorporated,sub,micrometer,thick,indeed,formed,near,migrate,free,elevated,temperatures,consid,erably,which,good,agreement,experimental,observations

0.560888