COMPUTATIONAL SIMULATION |
|
|
|
|
|
Crystal Structure of Zn55.24Al18.86Zr25.9 |
ZHU Wenjia1,2, LI Xiaobo1,2, CHEN Liangping1,2, OUYANG Xuemei1,2
|
1 School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105; 2 Key Laboratory of Materials Design and Preparation Technology of Hunan Province, Xiangtan University, Xiangtan 411105 |
|
|
Abstract The ternary compound Zn55.24Al18.86Zr25.9 was prepared by equilibrated alloy method and examined by X-ray diffraction, scanning election microscopy (SEM). Crystal structure of the compound was successfully refined by the Rietveld method. The reliability factor for Rietveld refinement is Rp=7.15%,Rwp=9.56%.The compound crystallized in a cubic structure with space group p4/mmm, lattice parameters a=b=4.070 803 Å, c=4.073 669 Å. In the structure, Zr atoms occupied the 1a site, some Zn atoms occupied the 2e site, while the other Zn atoms and Al atoms were in the 1c sites. Finally, the rationality of the obtained structure was verified by theoretical calculation.
|
Published: 25 June 2017
Online: 2018-05-08
|
|
|
|
1 Proville L, Finel A. Kinetics of coherent order-disorder transition in Al3Zr[J]. J Phys,2001,64(64):054104. 2 Saha S, Todorova T Z, Zwanziger J W. Temperature dependent lattice misfit and coherency of Al3X (X=Sc, Zr, Ti and Nb) particles in an Al matrix[J]. J Acta Mater,2015,89:109. 3 Dinaharan I, Kumar G A, Vijay S J, et al. Development of Al3Ti and Al3Zr intermetallic particulate reinforced aluminum alloy AA6061 in situ composites using friction stir processing[J]. J Mater Des,2014,63(21):213. 4 Lefebvre W, Masquelier N, Houard J, et al. Tracking the path of dislocations across ordered Al3Zr nano-precipitates in three dimensions[J]. J Scripta Mater,2014,70(1):43. 5 Tsivoulas D, Robson J D. Heterogeneous Zr solute segregation and Al3 Zr dispersoid distributions in Al-Cu-Li alloys[J]. J Acta Mater,2015,93:73. 6 Gautam G, Mohan A. Effect of ZrB2 particles on the microstructure and mechanical properties of hybrid (ZrB2+Al3Zr)/AA5052 insitu composites[J]. J Alloys Compd,2015,649:174. 7 Schwarz R B, Desch P B, Srinivasan S, et al. Synthesis and properties of trialuminides with ultra-fine microstructures[J]. J Nanostructured Mater,1992,1(1):37. 8 Hu H, Zhao M, Wu X, et al. The structural stability, mechanical properties and stacking fault energy of Al3Zr precipitates in Al-Cu-Zr alloys: HRTEM observations and first-principles calculations[J]. J Alloys Compd,2016,681:97. 9 Schubert K, Meissner H G, Raman A,et al. Some structure data of metallic phase[J]. J Naturwissenschaften,1964,51:287. 10 Raman A, Schubert K. Constitution of some alloy series related to TiAl3. Ⅰ. Investigations in some T4-Zn-Al, T4-Zn-Ga and T4-Ga-Ge systems[J]. J Z Metallkd,1965,56:40. 11 Drasner A, Blazina Z. Structural studies in the systems ZrZn2-xAlx and HfZn2-xAlx[J]. J Zeitschrift Fur Naturforschung B,1981,36(12):1547. 12 Chen L P, Yin F C, Ou Y X M, et al. Experimental investigation of the phase equilibria of the Zn-Al-Zr ternary system at 723 K (450 ℃) [J]. J Metall Mater Trans A,2015,46(11):4956. |
|
|
|