Lü Yanan, Chen Dong, Zhang Shunhu. Molecular Dynamics Simulation of Structure and Stability of Titanium Carbides Cluster in Iron Matrix[J]. IRON STEEL VANADIUM TITANIUM, 2019, 40(6): 96-100. doi: 10.7513/j.issn.1004-7638.2019.06.019
Citation:
Lü Yanan, Chen Dong, Zhang Shunhu. Molecular Dynamics Simulation of Structure and Stability of Titanium Carbides Cluster in Iron Matrix[J]. IRON STEEL VANADIUM TITANIUM, 2019, 40(6): 96-100. doi: 10.7513/j.issn.1004-7638.2019.06.019
Lü Yanan, Chen Dong, Zhang Shunhu. Molecular Dynamics Simulation of Structure and Stability of Titanium Carbides Cluster in Iron Matrix[J]. IRON STEEL VANADIUM TITANIUM, 2019, 40(6): 96-100. doi: 10.7513/j.issn.1004-7638.2019.06.019
Citation:
Lü Yanan, Chen Dong, Zhang Shunhu. Molecular Dynamics Simulation of Structure and Stability of Titanium Carbides Cluster in Iron Matrix[J]. IRON STEEL VANADIUM TITANIUM, 2019, 40(6): 96-100. doi: 10.7513/j.issn.1004-7638.2019.06.019
The simulation of titanium carbide cluster in high strength low alloyed steel was carried out through discussing the cluster structure and stability by using molecular dynamics（MD） method.Titanium carbide cluster associated with iron matrix was investigated and compared with corresponding independent titanium carbide clusters via studying the structural change,energy property and cluster stability.The influences of cluster size and composition on cluster structure and stability were analyzed.The results show that the iron matrix has a significant impact on the structure of titanium carbide cluster.Cluster size and composition greatly affect the cluster structure and stability,and the structure difference increases with the increase of cluster size.Furthermore,the titanium carbide cluster with C/Ti of 2 generates the strongest stability.
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