Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experiment
The thermodynamic stability, mechanical properties and electronic properties of the WCoB and W2CoB2 hard phases in WCoB-TiC ceramic composites are analyzed by the first-principles calculations. The microstructure, hardness, transverse rupture strength (TRS) and fracture toughness (KIC) of WCoB-TiC c...
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doaj-a66e2d4bbbb54b05b864a5b3fe429b412020-11-25T02:45:45ZengElsevierJournal of Materials Research and Technology2238-78542020-07-019487448753Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experimentDeqing Ke0Yingjun Pan1Teng Wu2Junkai Wang3Xin Xu4Yinghui Pan5State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081, PR China; Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan 430081, PR ChinaState Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081, PR China; Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan 430081, PR China; Corresponding author.State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081, PR China; Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education, Wuhan University of Science and Technology, Wuhan 430081, PR ChinaSchool of Materials Science and Engineering, Henan Polytechnic University,Jiaozuo 454003, PR ChinaState Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081, PR ChinaState Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081, PR ChinaThe thermodynamic stability, mechanical properties and electronic properties of the WCoB and W2CoB2 hard phases in WCoB-TiC ceramic composites are analyzed by the first-principles calculations. The microstructure, hardness, transverse rupture strength (TRS) and fracture toughness (KIC) of WCoB-TiC ceramic composites with various W/B atomic ratios are measured by experiments. First-principles calculations indicate that W2CoB2 has better thermodynamic stability and comprehensive mechanical properties than WCoB. The poor mechanical properties of WCoB are due to the heterogeneous nature of Co-W anti-bonds. The better mechanical properties of W2CoB2 are mainly derived from the stronger BB covalent bonds. Experimental results show that the density of WCoB-TiC ceramic composites increases rapidly with increasing of W/B atomic ratio initially and then gradually stabilized. Hardness, TRS and KIC of WCoB-TiC ceramic composites increases firstly and then decreases with the increase of W/B atomic ratio. When W/B atomic ratio is 0.6, hardness is the highest at 92.3 ± 0.3 HRA. When the W/B atomic ratio is 0.5, the WCoB-TiC ceramic composite has the highest TRS and KIC, which are 853.6 ± 30.3 MPa and 11.48 ± 0.33 MPa m1/2, respectively.http://www.sciencedirect.com/science/article/pii/S2238785420314137WCoB-TiC ceramic compositesMicrostructureMechanical propertiesFirst-principles calculations |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Deqing Ke Yingjun Pan Teng Wu Junkai Wang Xin Xu Yinghui Pan |
spellingShingle |
Deqing Ke Yingjun Pan Teng Wu Junkai Wang Xin Xu Yinghui Pan Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experiment Journal of Materials Research and Technology WCoB-TiC ceramic composites Microstructure Mechanical properties First-principles calculations |
author_facet |
Deqing Ke Yingjun Pan Teng Wu Junkai Wang Xin Xu Yinghui Pan |
author_sort |
Deqing Ke |
title |
Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experiment |
title_short |
Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experiment |
title_full |
Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experiment |
title_fullStr |
Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experiment |
title_full_unstemmed |
Effect of W/B atomic ratio on the microstructure and mechanical properties of WCoB-TiC ceramic composites: first-principles calculations and experiment |
title_sort |
effect of w/b atomic ratio on the microstructure and mechanical properties of wcob-tic ceramic composites: first-principles calculations and experiment |
publisher |
Elsevier |
series |
Journal of Materials Research and Technology |
issn |
2238-7854 |
publishDate |
2020-07-01 |
description |
The thermodynamic stability, mechanical properties and electronic properties of the WCoB and W2CoB2 hard phases in WCoB-TiC ceramic composites are analyzed by the first-principles calculations. The microstructure, hardness, transverse rupture strength (TRS) and fracture toughness (KIC) of WCoB-TiC ceramic composites with various W/B atomic ratios are measured by experiments. First-principles calculations indicate that W2CoB2 has better thermodynamic stability and comprehensive mechanical properties than WCoB. The poor mechanical properties of WCoB are due to the heterogeneous nature of Co-W anti-bonds. The better mechanical properties of W2CoB2 are mainly derived from the stronger BB covalent bonds. Experimental results show that the density of WCoB-TiC ceramic composites increases rapidly with increasing of W/B atomic ratio initially and then gradually stabilized. Hardness, TRS and KIC of WCoB-TiC ceramic composites increases firstly and then decreases with the increase of W/B atomic ratio. When W/B atomic ratio is 0.6, hardness is the highest at 92.3 ± 0.3 HRA. When the W/B atomic ratio is 0.5, the WCoB-TiC ceramic composite has the highest TRS and KIC, which are 853.6 ± 30.3 MPa and 11.48 ± 0.33 MPa m1/2, respectively. |
topic |
WCoB-TiC ceramic composites Microstructure Mechanical properties First-principles calculations |
url |
http://www.sciencedirect.com/science/article/pii/S2238785420314137 |
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