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Structure and dynamical heterogeneity in GeO2 liquid: a new approach

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Abstract

We used molecular dynamics (MD) simulation to clarify the structure and dynamics in GeO2 liquid. MD models consisting of 5499 atoms were constructed in the range of temperature from 2000 K to 4500 K and at ambient pressure. The structure of GeO2 liquid is built mainly by GeO4 basic structural units that are linked to each other through common oxygen atoms to form a tetrahedral network. The dynamic heterogeneity (DH) is investigated by calculating the link-cluster function flc(r, t) and init-bond function fib(t). The link-cluster function for sets of random, mobile and immobile atoms at low temperature is different. This is evidence of DH in GeO2 liquid. Diffusion mechanism in GeO2 liquid is via bond-breaking mechanism that relates to the init-bond function. The bond breaking and new bond forming in GeO2 liquid are realized via exchange of coordinated atoms. The existence of separate fast regions (places of the high mobility atoms) and slow regions (places of the low mobility atoms) is the origin of DH.

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References

  1. M.D. Ediger, Annu. Rev. Phys. Chem. 51, 99 (2000)

    Article  ADS  Google Scholar 

  2. M. Vogel, S.C. Glotzer, Phys. Rev. Lett. 92, 255901 (2004)

    Article  ADS  Google Scholar 

  3. M. Micoulaut, L. Cormier, G.S. Henderson, J. Phys.: Condens. Matter 18, R753 (2006)

    Google Scholar 

  4. S.Q. Wu, C.Z. Wang, Z.Z. Zhu, K.M. Ho, J. App. Phys. Lett. 96, 043121 (2010)

    Article  ADS  Google Scholar 

  5. P.K. Hung, N.V. Hong, Eur. Phys. J. B 71, 105 (2009)

    Article  ADS  Google Scholar 

  6. J.A.E. Desa, A.C. Wright, R. Sinclair, J. Non-Cryst. Solids 99, 276 (1988)

    Article  ADS  Google Scholar 

  7. V. Van Hoang, Physica B 400, 278 (2007)

    Article  ADS  Google Scholar 

  8. H. Mizuno, R. Yamamoto, Phys. Rev. E 84, 011506 (2011)

    Article  ADS  Google Scholar 

  9. U. Tracht, M. Wilhelm, A. Heuer, H. Feng, K. Schmid-Rohr, H.W. Spiess, Phys. Rev. Lett. 81, 2727 (1998)

    Article  ADS  Google Scholar 

  10. R. Yamamoto, A. Onuki, Phys. Rev. Lett. 81, 4915 (1998)

    Article  ADS  Google Scholar 

  11. M. Vogel, S.C. Glotzer, Phys. Rev. Lett. 92, 255901 (2004)

    Article  ADS  Google Scholar 

  12. C. Donati, S.C. Glotzer, P.H. Poole, W. Kob, S.J. Plimpton, Phys. Rev. E 60, 3107 (1999)

    Article  ADS  Google Scholar 

  13. H. Li, O.M. Yaghi, J. Am. Chem. Soc. 120, 10569 (1998)

    Article  Google Scholar 

  14. D. Marrocchelli1, M. Salanne, P.A. Madden, J. Phys.: Condens. Matter 22, 152102 (2010)

    ADS  Google Scholar 

  15. P.S. Salmon, A.C. Barnes, R.A. Martin, G.J. Cuello, J. Phys.: Condens. Matter 19, 415110 (2007)

    Google Scholar 

  16. J.P. Itie, A. Polian, G. Calas, J. Petiau, A. Fontaine, H. Tolentino, Phys. Rev. Lett. 63, 398 (1989)

    Article  ADS  Google Scholar 

  17. G. Gutierrez, R. Jose, Phys. Rev. E 69, 031201 (2004)

    Article  ADS  Google Scholar 

  18. K. Trachenko, M.T. Dove, V. Brazhkin, F.S. El’kin, Phys. Rev. Lett. 93, 135502 (2004)

    Article  ADS  Google Scholar 

  19. P.K. Hung, N.V. Hong, Eur. Phys. J. B 71, 105 (2009)

    Article  ADS  Google Scholar 

  20. D.J. Durben, G.H. Wolf, Phys. Rev. B 43, 2355 (1991)

    Article  ADS  Google Scholar 

  21. J.A.E. Desa, A.C. Wright, R. Sinclair, J. Non-Cryst. Solids 99, 276 (1988)

    Article  ADS  Google Scholar 

  22. M. Micoulaut, Chem. Geol. 213, 197 (2004)

    Article  ADS  Google Scholar 

  23. V. Van Hoang, N.H. Tuan Anh, H. Zung, Physica B 394, 39 (2007)

    Article  ADS  Google Scholar 

  24. M. Micoulaut, Chem. Geol. 213, 197 (2004)

    Article  ADS  Google Scholar 

  25. G. Lelong, L. Cormier, G. Ferlat, V. Giordano, G.S. Henderson, A. Shukla, G. Calas, Phys. Rev. B 85, 134202 (2012)

    Article  ADS  Google Scholar 

  26. V.V. Brazhkin, A.G. Lyapin, J. Phys.: Condens. Matter 15, 6059 (2003)

    ADS  Google Scholar 

  27. M. Guthrie, C.A. Tulk, C.J. Benmore, J. Xu, J.L. Yarger, D.D. Klug, J.S. Tse, H. Mao, R.J. Hemley, Phys. Rev. Lett. 93, 115502 (2004)

    Article  ADS  Google Scholar 

  28. K.V. Shanavas, N. Garg, S.M. Sharma, Phys. Rev. B 73, 094120 (2006)

    Article  ADS  Google Scholar 

  29. V.V. Hoang, J. Phys.: Condens. Matter 18, 777 (2006)

    ADS  Google Scholar 

  30. E.R. Weeks, J.C. Crocker, A.C. Levitt, Science 287, 627 (2000)

    Article  ADS  Google Scholar 

  31. M. Micoulaut, Y. Guissani, B. Guillot, Phys. Rev. E 73, 031504 (2006)

    Article  ADS  Google Scholar 

  32. O. Mishima, Phys. Rev. Lett. 85, 334 (2000)

    Article  ADS  Google Scholar 

  33. P.K. Hung, L.T. Vinh, D.M. Nghiep, P.N. Nguyen, J. Phys.: Condens. Matter 18, 9309 (2006)

    ADS  Google Scholar 

  34. M. Micoulaut, X. Yuan, L.W. Hobb, J. Non-Cryst. Solids 353, 1961 (2007)

    Article  ADS  Google Scholar 

  35. P.G. Debenedetti, F.H. Stillinger, Nature 410, 259 (2001)

    Article  ADS  Google Scholar 

  36. D. Frenkel, B. Smit, Understanding Molecular Simulation (Academic Press, USA, 2003)

  37. N.V. Hong, M.T. Lan, P.K. Hung, Indian J. Phys. 87, 879 (2013)

    Article  ADS  Google Scholar 

Download references

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Authors and Affiliations

  1. School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet Road, Hai Ba Trung District, Hanoi City, Vietnam

    Mai Thi Lan, Nguyen Thi Thanh Ha, Nguyen Van Hong & Pham Khac Hung

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  1. Mai Thi Lan
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  2. Nguyen Thi Thanh Ha
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  3. Nguyen Van Hong
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  4. Pham Khac Hung
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Correspondence to Mai Thi Lan.

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Lan, M.T., Thi Thanh Ha, N., Van Hong, N. et al. Structure and dynamical heterogeneity in GeO2 liquid: a new approach. Eur. Phys. J. B 92, 116 (2019). https://doi.org/10.1140/epjb/e2019-100021-6

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  • DOI: https://doi.org/10.1140/epjb/e2019-100021-6

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