摘要The local atomic structure of an amorphous NiZr2 alloy is identified by using x-ray diffraction, transmission electron microscopy, and differential scanning calorimeter. Based on the experimental results, molecular dynamics simulation is performed to investigate the glass formation of liquid NiZr2 alloy. Some relevant features of the pair correlation functions are in good agreement with those obtained by experiment. The pair analysis parameters are calculated, suggesting that there exist icosahedral ordering, four-fold symmetrical bipyramid and triangular-faced polyhedral units in the amorphous NiZr2 structure. The result is beneficial to open avenues toward the understanding of fundamental theoretical problems of glass formation of simple binary alloys.
Abstract：The local atomic structure of an amorphous NiZr2 alloy is identified by using x-ray diffraction, transmission electron microscopy, and differential scanning calorimeter. Based on the experimental results, molecular dynamics simulation is performed to investigate the glass formation of liquid NiZr2 alloy. Some relevant features of the pair correlation functions are in good agreement with those obtained by experiment. The pair analysis parameters are calculated, suggesting that there exist icosahedral ordering, four-fold symmetrical bipyramid and triangular-faced polyhedral units in the amorphous NiZr2 structure. The result is beneficial to open avenues toward the understanding of fundamental theoretical problems of glass formation of simple binary alloys.
[1] Inoue A, Zhang W and Saida J 2004 Mater. Trans.JIM 45 1153 [2] Duan G et al%, Xu D H, Zhang Q, \c Ca\v gin T, Johnson W L and Goddard W A2005 Phys. Rev. B 71 224208 [3] Wang D et al %, Li Y, Sun B B, Sui M L, Lu K and Ma E2004 Appl. Phys. Lett. 84 4029 [4] Xu D H et al %, Lohwongwatana B, Duan G, Johnson W L and Garland C2004 Acta Mater. 52 2621 [5] de Lima J C et al %, Raoux D, Tonnerre J M, Udron D, Machado K D,%Grandi T A, de Campos C E M and Morrison T I2003 Phys. Rev. B 67 094210 [6] Lad K N and Pratap A 2003 Physica B 334 135 [7] Otomo T, Arai M, Suck J B and Bennington S M 2002 J.Non Crys. Solids 312-314 599 [8] Kokanovic I and Tonejc A 2004 J. Alloys Compd. 377 141 [9] Metiko?Hukovi\v s M and Juki\' c A 2000 Electrochim. Acta 45 4159 [10] Bailey N P, Schiotz J and Jacobsen K W 2004 Phys. Rev.B 69 144205 [11] Massobrio C, Pontikis V and Martin G 1990 Phys. Rev.B 41 10 486 [12] Qi Y, \c Ca\v gin T, Kimura Y and Goddard W A 1999 Phys.Rev. B 59 3527 [13] Wang L, Zhang Y N, Yang H and Chen Y 2003 Phys. Lett.A 317 489 [14] Teichler H 1992 Phys. Status Solidi B 172 325 [15] Hausleitner C and Hafner J 1990 J. Phys.: Condens.Matter 2 6651 [16] Hausleitner C and Hafner J 1992 Phys. Rev. B 45155 [17] Guerdane M 2000 PhD Dissertation(Georg-August-Universit\"at G\"ottingen) p 18 [18] Mizoguchi T et al 1985 Rapid Quench Metals (New York:Elsevier) p 475 [19] Honeycutt J D and Andersen H C 1987 J. Phys. Chem. 91 4950
2007, Vol. 24 
