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相场法模拟凝固过程中界面效应对晶粒形核的影响
  • ISSN号:1002-185X
  • 期刊名称:稀有金属材料与工程
  • 时间:2012
  • 页码:1045-1048
  • 分类:O781[理学—晶体学] TM271.2[电气工程—电工理论与新技术;一般工业技术—材料科学与工程]
  • 作者机构:[1]State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an 710072, China
  • 相关基金:Project supported by the National Natural Science Foundation of China (Grant Nos. 51075335, 51174168, 10902086, and 51274167) and the NPU Foundation for Fundamental Research, China (Grant Nos. 201109 and NPU-FFR-JC201005).
  • 相关项目:微观相场法研究时效成形宏/纳观应力耦合效应下的动态沉淀
中文摘要:

We modify the anisotropic phase-field crystal model(APFC),and present a semi-implicit spectral method to numerically solve the dynamic equation of the APFC model.The process results in the acceleration of computations by orders of magnitude relative to the conventional explicit finite-difference scheme,thereby,allowing us to work on a large system and for a long time.The faceting transitions introduced by the increasing anisotropy in crystal growth are then discussed.In particular,we investigate the morphological evolution in heteroepitaxial growth of our model.A new formation mechanism of misfit dislocations caused by vacancy trapping is found.The regular array of misfit dislocations produces a small-angle grain boundary under the right conditions,and it could significantly change the growth orientation of epitaxial layers.

英文摘要:

We modify the anisotropic phase-field crystal model (APFC), and present a semi-implicit spectral method to numerically solve the dynamic equation of the APFC model. The process results in the acceleration of computations by orders of magnitude relative to the conventional explicit finite-difference scheme, thereby, allowing us to work on a large system and for a long time. The faceting transitions introduced by the increasing anisotropy in crystal growth are then discussed. In particular, we investigate the morphological evolution in heteroepitaxial growth of our model. A new formation mechanism of misfit dislocations caused by vacancy trapping is found. The regular array of misfit dislocations produces a small-angle grain boundary under the right conditions, and it could significantly change the growth orientation of epitaxial layers.

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期刊信息
  • 《稀有金属材料与工程》
  • 中国科技核心期刊
  • 主管单位:中国科学技术协会
  • 主办单位:中国有色金属学会 中国材料研究学会 西北有色金属研究院
  • 主编:张平祥
  • 地址:西安市51号信箱
  • 邮编:710016
  • 邮箱:RMME@c-nin.com
  • 电话:029-86231117
  • 国际标准刊号:ISSN:1002-185X
  • 国内统一刊号:ISSN:61-1154/TG
  • 邮发代号:52-172
  • 获奖情况:
  • 首届国家期刊奖,中国优秀期刊一等奖,中国有色金属工业优秀期刊1等奖
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  • 被引量:24715