Abstract
Structural dynamics and diffusion mechanism in liquid GeO2 (a typical glass-forming liquid) have been studied by molecular dynamics simulation. Models consisting of 1998 atoms have been constructed under a wide pressure range (from 0 to 48 GPa) and at 3,200 K. The structural dynamics has been analyzed through the nearest-neighbor atomic exchange among coordination units, spatially heterogeneous dynamics (SHD), clustering and structural stability (lifetime of basic structural units). Investigation of structural dynamics has allowed us to gain insight into various important atomic (molecular) properties and to clarify the diffusion mechanism and origin of SHD phenomena in glass-forming liquids under high pressure.
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M Micoulaut Chem. Geol. 213 197 (2004)
M Micoulaut, L Cormier and G S Henderson J. Phys.: Condens. Matter 18 R753 (2006)
P F McMillan J. Mater. Chem. 14 1506 (2004)
A Takada, P Richet, C R A Catlow and G D Price J. Non-Cryst. Solids 353 1892 (2007)
C E Stone et al. J. Non-Cryst. Solids 293–295 769 (2001)
O Ohtaka et al. Phys. Rev. Lett. 92 155506 (2004)
V V Brazhkin and A G Lyapin J. Phys.: Condens. Matter 15 6059 (2003)
M Brian Erwin and Ralph H. Colby J. Non-Cryst. Solids 307–310 225 (2002)
S C Glotzer J. Non-Cryst. Solids 274 342 (2000)
K L Ngai J. Non-Cryst. Solids 275 7 (2000)
J Habasaki J. Non-Cryst. Solids 353 3956 (2007)
J P Itie, A Polian, G Calas, J Petiau, A Fontaine and H Tolentino Phys. Rev. Lett. 63 398 (1989)
K H Smith, E Shero, A Chizmeshya and G H Wolf J. Chem. Phys. 102 6851 (1995)
C H Polsky, K H Smith and G H Wolf J. Non-Cryst. Solids 248 159 (1999)
M Guthrie et al. Phys. Rev. Lett. 93 115502 (2004)
D J Durben and G H Wolf Phys. Rev. B 43 2355 (1991)
K Trachenko, M T Dove, V Brazhkin and F S El’kin Phys. Rev. Lett. 93 135502 (2004)
E Principi, A Di Cicco, F Decremps, A Polian and S De Panfilis Phys. Rev. B 69 201201 (2004)
P Nico de Koker, Lars Stixrude, B B Karki Geochim. Cosmochim. Acta 72 1427 (2009)
Michael Vogel and C S Glotzer Phys. Rev. E 70 061504 (2004)
V Teboul Eur. Phys. J. B 51 111 (2006)
E R Weeks et al. Science 287 627 (2000)
S C Glotzer J. Non-Crystalline Solids 274 342 (2000)
C A Angell Science 267 1924 (1995)
C Dasgupta Pramana J. Phys. 64 679 (2005)
L Berthier and G Biroli Rev. Mod. Phys. 83 587 (2011)
G Adam and J H Gibbs J. Chem. Phys. 43 139 (1965)
J H Gibbs and E A Dimarzio J. Chem. Phys. 28 373 (1958)
D Turnbull, M H Cohen J. Chem. Phys. 34 120 (1961)
M H Cohen and G S Grest Phys. Rev. B 20 1077 (1979)
S M Oversteegen and R Roth J. Chem. Phys. 122 214502 (2005)
K S Schweizer J. Chem. Phys. 91 5802 (1989)
T Geszti, J. Phys. C: Solid State Physics 16 5805 (1983)
G Gutierrez and J Rogan Phys. Rev. E 69 031201 (2004)
V V Hoang, N H Tuan Anh and H Zung Physica B 390 17 (2007)
M Micoulaut, Y Guissaniand and B Guillot Phys. Rev. E 73 031504 (2006)
O Mishima Phys. Rev. Lett. 85 334 (2000)
V V Hoang J. Phys.: Condens. Matter 18 777 (2006)
P K Hung, H V Hue and L T Vinh J. Non-cryt. Solids 352 3332 (2006)
P K Hung, L T Vinh, D M Nghiep and P N Nguyen J. Phys.: Condens. Matter 18 9309 (2006)
S Harrington, R Zhang, P H Poole, F Sciortino and H E Stanley Phys. Rev. Lett. 78 2409 (1997)
I Saika-Voivod, F Sciortino and P H Poole Phys. Rev. E 63 011202 (2000)
M I Ojovan and W E Lee J. Phys.: Condens. Matter 18 11507 (2006)
M Micoulaut, X Yuan and L W Hobb J. Non-Cryst. Solids 353 1961 (2007)
Andrea Trave et al. Phys. Rev. Lett. 89 245504 (2002)
B Bijaya Karki, D Bhattarai and L Stixrude Phys. Rev B 76 1 (2007)
T Tamura, G-H Lu and R Yamamoto Phys. Rev. B 69 195204 (2004)
S Maity and G Naresh Patwari Indian J. Phys. 86 173 (2012)
D C Li, L Fang, S K Deng, K Y Kang, W H Wei and H B Ruan Indian J. Phys. 86 447 (2012)
Y Sert, F Ucun and M Böyükata Indian J. Phys. 87 113 (2013)
V V Hoang Physica B 400 278 (2007)
P G Debenedetti and F H Stillinger Nature 410 259 (2001)
M Hawlitzky et al. J. Phys.: Condens. Matter 20 285106 (2008)
R D Oeffner and S R Elliott Phys. Rev. B 58 14791 (1998)
P K Hung and N V Hong Eur. Phys. J. B 71 105 (2009)
K V Shanavas, N Garg and S M Sharma Phys. Rev. B 73 094120 (2006)
J Horbach J. Phys.: Condens. Matter 20 244118 (2008)
T Li, S Huang and J Zhu Chem. Phys. Lett. 471 253 (2009)
M S Shell, P G Debenedetti and F H Stillinger J. Phys.: Condens. Matter 17 S4035 (2005)
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This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.99-2011.22.
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Hong, N.V., Lan, M.T. & Hung , P.K. Structural dynamics and diffusion mechanism in glass-forming liquid under high pressure. Indian J Phys 87, 879–887 (2013). https://doi.org/10.1007/s12648-013-0301-9
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DOI: https://doi.org/10.1007/s12648-013-0301-9