Please wait a minute...
《材料导报》期刊社  2017, Vol. 31 Issue (12): 126-130    https://doi.org/10.11896/j.issn.1005-023X.2017.012.026
  计算模拟 |
Zn55.24Al18.86Zr25.9的晶体结构研究*
朱文嘉1,2, 李小波1,2, 陈亮平1,2, 欧阳雪梅1,2
1 湘潭大学材料科学与工程学院, 湘潭 411105;
2 湘潭大学材料设计及制备技术湖南省重点实验室, 湘潭 411105
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
下载:  全 文 ( PDF ) ( 1502KB ) 
输出:  BibTeX | EndNote (RIS)      
摘要 采用平衡合金法制备了Zn55.24Al18.86Zr25.9三元化合物的合金样品,利用 XRD、扫描电镜(SEM)对样品进行了表征,并使用 Rietveld全谱拟合方法对化合物的晶体结构进行了研究。Rietveld精修的可靠性因子为:Rp= 7.15%,Rwp=9.56%。该化合物属立方晶系,空间群为p4/mmm,点阵常数a=b=4.070 803 Å,c=4.073 669 Å。精修的结果表明Zr原子占据1a位置,部分Zn原子占据2e位置,另一部分Zn原子和Al原子混合占据1c位置。最后通过理论计算验证了所得结构的合理性。
服务
把本文推荐给朋友
加入引用管理器
E-mail Alert
RSS
作者相关文章
朱文嘉
李小波
陈亮平
欧阳雪梅
关键词:  Zn-Al-Zr合金  Rietveld方法  理论计算    
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.
Key words:  Zn-Al-Zr alloy    Rietveld method    theoretical calculation
               出版日期:  2017-06-25      发布日期:  2018-05-08
ZTFLH:  TG115.22+1.5  
基金资助: *国家自然科学基金(51071181)
通讯作者:  李小波:通讯作者,男,1969年生,博士,教授,研究方向为计算机在材料科学与工程中的应用 E-mail:1808064628@qq.com   
作者简介:  朱文嘉:男,1991年生,硕士研究生,主要从事Rietveld结构精修的研究 E-mail:1437228326@qq.com
引用本文:    
朱文嘉, 李小波, 陈亮平, 欧阳雪梅. Zn55.24Al18.86Zr25.9的晶体结构研究*[J]. 《材料导报》期刊社, 2017, 31(12): 126-130.
ZHU Wenjia, LI Xiaobo, CHEN Liangping, OUYANG Xuemei. Crystal Structure of Zn55.24Al18.86Zr25.9. Materials Reports, 2017, 31(12): 126-130.
链接本文:  
http://www.mater-rep.com/CN/10.11896/j.issn.1005-023X.2017.012.026  或          http://www.mater-rep.com/CN/Y2017/V31/I12/126
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.
No related articles found!
No Suggested Reading articles found!
Viewed
Full text


Abstract

Cited

  Shared   
  Discussed