Effect of molybdenum on interfacial properties of titanium carbide reinforced Fe composite

doi:10.1016/j.jmst.2021.08.047

Abstract

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 interphase 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 considerably enhanced, which is in good agreement with experimental observations.

Key words: Metal matrix composites (MMCs), Titanium carbide, Fe matrix composite, Infiltration, Molybdenum, Interfacial property

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]. J. Mater. Sci. Technol., 2022, 107: 252-258.

Figures/Tables 5

Fig. 1. Infiltration phenomena of (a) Fe-0.2C-7Mn and (b) Fe-0.2C-7Mn-0.5Mo alloys in porous TiC preform according to temperature. (c) Phase fraction diagrams and liquid/solid ratios of Fe-0.2C-7Mn and Fe-0.2C-7Mn-0.5Mo alloys calculated using FactSage.

Fig. 2. SEM-EDS images of (a) TiC-Fe (Fe-0.2C-7Mn) and (b) TiC-Fe(Mo) alloy (Fe-0.2C-7Mn-0.5Mo) composites fabricated by LPI process at 1873 K. (c) Tensile properties of TiC-Fe composites at RT and 973 K. (d) Fracture morphology of TiC-Fe(Mo) composite after tensile test at RT. The positions of curves are shifted arbitrarily. (e) Schematic of transgranular TiC fracture of TiC-Fe(Mo) composite.

Fig. 3. Interfacial microstructure of TiC-Fe(Mo) composites analyzed by APT. (a) SEM images of TiC-Fe sample prepared for APT analysis. (b) 3D atomic maps acquired from APT analysis. (c) Composition profiles across TiC/(Ti,Mo)C interphase. (d) Phase diagram of Fe0.2C7Mn-TiC-Mo at 1873 K and (e) concentration variation of MC carbide according to Mo content.

Fig. 4. (a) Total energy variation depending on positions of Mo atoms in TiC-Fe system. (b) Effect of Mo content on interfacial energy variation in TiC-Fe system. (c) DOS variation at TiC/Fe interface and at TiC/Fe(Mo) interface.

Fig. 5. (a) Movement of Mo atoms in TiC-Fe system at 1500 K and 1700 K. (b) Elastic modulus comparison of TiC-Fe(Mo) and TiC-Fe system using stress-strain curve.

References 35

[1]	B. Park, D. Lee, I. Jo, S.B. Lee, S.K. Lee, S. Cho, Compos. Pt. B-Eng., 181 (2020), Article 107584.
[2]	P.D. Enrique, E. Marzbanrad, Y. Mahmoodkhani, A. Keshavarzkermani, H.A. Momani, E. Toyserkani, N.Y. Zhou, J. Mater. Sci. Technol., 49(2020), pp. 81-90. DOI
[3]	S. Cho, K. Kikuchi, A. Kawasaki, Acta Mater, 60(2012), pp. 726-736. DOI URL
[4]	H. Kwon, M. Estili, K. Takagi, T. Miyazaki, A. Kawasaki, Carbon N Y, 47(2009), pp. 570-577. DOI URL
[5]	K. Livanov, L. Yang, A. Nissenbaum, H.D. Wagner, Sci. Rep., 6(2016), p. 26305. DOI URL
[6]	J. Park, J.H. Lee, I. Jo, S. Cho, S.K. Lee, S.B. Lee, H.J. Ryu, S.H. Hong, Surf. Coat. Technol., 307(2016), pp. 399-406. DOI URL
[7]	S. Cho, I. Jo, B.M. Jung, E. Lee, J.R. Choi, S.-.K. Lee, S.-.B. Lee, Scr. Mater., 136(2017), pp. 50-54. DOI URL
[8]	T. Lee, J. Park, J. Lee, I. Jo, S. Cho, S.B. Lee, S.K. Lee, M.R. Muslih, H.J. Ryu, Funct. Compos. Struct., 1 (2019), Article 035002.
[9]	H. Kurita, M. Estili, H. Kwon, T. Miyazaki, W. Zhou, J.F. Silvain, A. Kawasaki, Compos. Pt. A-Appl.Sci. Manuf., 68(2015), pp. 133-139.
[10]	H. Kwon, D.H. Park, J.F. Silvain, A. Kawasaki, Compos. Sci. Technol., 70(2010), pp. 546-550. DOI URL
[11]	Y.-.H. Lee, N. Kim, S.-.B. Lee, Y. Kim, S. Cho, S.-.K. Lee, I. Jo, Mater. Charact., 162 (2020), Article 110202.
[12]	W. Hu, Z. Huang, Q. Yu, Y. Wang, Y. Jiao, C. Lei, L. Cai, H. Zhai, Y. Zhou, J. Mater. Sci. Technol., 51(2020), pp. 70-78. DOI URL
[13]	N.R. Oh, S.K. Lee, K.C. Hwang, H.U. Hong, Scr. Mater., 112(2016), pp. 123-127. DOI URL
[14]	A. Gåård, P. Krakhmalev, J. Bergström, J. Alloy. Compd., 421(2006), pp. 166-171. DOI URL
[15]	B. AlMangour, M.-.S. Baek, D. Grzesiak, K.-.A. Lee, Mater. Sci. Eng. A, 712(2018), pp. 812-818. DOI URL
[16]	J. Pörnbacher, H. Leitner, P. Angerer, T. Wojcik, S. Marsoner, G. Ressel, Mater. Charact., 156 (2019), Article 109880.
[17]	S. Lemboub, S. Boudebane, F.J. Gotor, S. Haouli, S. Mezrag, S. Bouhedja, G. Hesser, H. Chadli, T. Chouchane, Int. J. Refract. Met. Hard Mat., 70(2018), pp. 84-92. DOI URL
[18]	S.J. Park, Y. Jeong, C.W. Kim, J.H. Lee, S.C. Cho, S.B. Lee, S.K. Lee, D.H. Kim, H.U. Hong, Mater. Sci. Eng. A, 764 (2019), Article 138260.
[19]	J. Pörnbacher, H. Leitner, P. Angerer, T. Wojcik, S. Marsoner, G. Ressel, Mater. Charact., 156 (2019), Article 109880.
[20]	G. Li, J. Jia, Y. Lyu, J. Zhao, J. Lu, Y. Li, F. Luo, Ceram. Int., 46(2020), pp. 5745-5752. DOI URL
[21]	W.D. Kaplan, D. Rittel, M. Lieberthal, N. Frage, M.P. Dariel, Scr. Mater., 51(2004), pp. 37-41. DOI URL
[22]	X.Q. Wang, X.X. He, H.L. Guo, Rare Met, 29(2010), pp. 346-350. DOI URL
[23]	N. Liu, Y. Xu, Z. Li, M. Chen, G. Li, L. Zhang, Ceram. Int., 29(2003), pp. 919-925. DOI URL
[24]	S.Q. Zhou, W. Zhao, W.H. Xiong, Y.N. Zhou, Acta Metall. Sin., 21(2008), pp. 211-219. DOI URL
[25]	M. Kiviö, L. Holappa, T. Yoshikawa, T. Tanaka, High Temp. Mater. Proc, 33(2014), pp. 571-584. DOI URL
[26]	S. Cho, Y.-.H. Lee, S. Ko, H. Park, D. Lee, S. Shin, I. Jo, S.-.B. Lee, S.-.K. Lee, J. Alloy. Compd., 817 (2020), Article 152714.
[27]	Y.-.H. Lee, S. Ko, H. Park, D. Lee, S. Shin, I. Jo, S.-.B. Lee, S.-.K. Lee, Y. Kim, S. Cho, Appl. Surf. Sci., 480(2019), pp. 951-955. DOI URL
[28]	J. Moon, S.-.J. Park, J.H. Jang, T.-.H. Lee, C.-.H. Lee, H.-.U. Hong, H.N. Han, J. Lee, B.H. Lee, C. Lee, Acta Mater, 147(2018), pp. 226-235. DOI URL
[29]	P.E. Blöchl, Phys. Rev. B, 50(1994), pp. 17953-17979. DOI URL
[30]	G. Kresse, J. Furthmüller, Comp. Mater. Sci., 6(1996), pp. 15-50. DOI URL
[31]	S. Plimpton, J. Comp. Phys., 117(1995), pp. 1-19.
[32]	C.W. Bale, E. Bélisle, P. Chartrand, S.A. Decterov, G. Eriksson, K. Hack, I.-.H. Jung, Y.-.B. Kang, J. Melançon, A.D. Pelton, C. Robelin, S. Petersen, Calphad, 33(2009), pp. 295-311. DOI URL
[33]	G. Kresse, J. Furthmüller, Phys. Rev. B, 54(1996), p. 11169. DOI PMID
[34]	K.T. Butler, G.S. Gautam, P. Canepa, npj Comput.Mater., 5(2019), p. 19.
[35]	T. Frolov, D.L. Olmsted, M. Asta, Y. Mishin, Nat. Commun., 4(2013), p. 1899. DOI URL