Skip to main content
SpringerLink
Log in

Molecular Dynamics Simulations of Ti Crystallization with Solid–Liquid Configuration Method

  • LATTICE DYNAMICS
  • Published:
Physics of the Solid State Aims and scope Submit manuscript

Abstract

The computation models were created with the solid-liquid configuration method. The molecular dynamics simulations were performed to exhibit the crystallization process of liquid pure Ti to hexagonal close packed (HCP) and face-centered cubic (FCC) structure crystals. The results showed that both HCP and FCC crystallizations start from the solid–liquid interfaces and develop toward the middle. The system energy sharply falls at the beginning of crystallization, then is reduced slowly, and finally has a sudden down jump at the end of crystallization. The first peak of RDF is increased significantly with time and some new secondary peaks occur, which is consistent with configuration evolution. The HCP crystal has a longer crystallization process but lower stable energy than the FCC crystal.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1.
Fig. 2.
Fig. 3.
Fig. 4.

Similar content being viewed by others

REFERENCES

  1. J. J. Sobczak, L. Drenchev, and R. Asthana, Int. J. Cast Metal. Res. 25, 1 (2012).

    Article  Google Scholar 

  2. Y. Yuan, X. Zeng, H. Chen, A. Yao, and Y. Hu, J. Korean Phys. Soc. 62, 1645 (2013).

    Article  ADS  Google Scholar 

  3. L. Wang, X. Bian, and J. Zhang, Mater. Sci. Eng. A 298, 262 (2001).

    Article  Google Scholar 

  4. G. Zhou and Q. Gao, Solid State Commun. 136, 32 (2005).

    Article  ADS  Google Scholar 

  5. S. Okita, W. Verestek, S. Sakane, T. Takaki, M. Ohno, and Y. Shibuta, J. Cryst. Growth 474, 140 (2017).

    Article  ADS  Google Scholar 

  6. Q. X. Pei, C. Lu, and M. W. Fu, J. Phys.: Condens. Matter 16, 4203 (2004).

    ADS  Google Scholar 

  7. Q. X. Pei, C. Lu, and H. P. Lee, J. Phys.: Condens. Matter 17, 1493 (2005).

    ADS  Google Scholar 

  8. P. Li, Y. Yang, W. Zhang, X. Luo, N. Jin, and G. Liu, RSC Adv. 6, 54763 (2016).

    Article  Google Scholar 

  9. Y. Mishin and R. R. Zope, Phys. Rev. B 68, 24102 (2003).

    Article  Google Scholar 

  10. J. Liu, R. L. Davidchack, and H. B. Dong, Comp. Mater. Sci. 74, 92 (2013).

    Article  Google Scholar 

  11. Y. Waseda, The Structure of Non-Crystalline Materials—Liquids and Amorphous Solids (McGraw-Hill, New York, 1980).

    Google Scholar 

Download references

Funding

This work was supported by the National Natural Science Foundation of China (grant nos. 11572135 and 11772137).

Author information

Authors and Affiliations

  1. School of Civil Engineering and Mechanics, Huazhong University of Science and Technology, Wuhan, China

    D. Peng, W. Fu & X. H. Yang

Authors
  1. D. Peng
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. W. Fu
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. X. H. Yang
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to X. H. Yang.

Ethics declarations

The authors declare that they have no conflict of interests.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Peng, D., Fu, W. & Yang, X.H. Molecular Dynamics Simulations of Ti Crystallization with Solid–Liquid Configuration Method. Phys. Solid State 61, 2418–2421 (2019). https://doi.org/10.1134/S1063783419120369

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1063783419120369

Keywords:

Search

Navigation