| 原子掺杂对单元材料结晶能力的影响 |
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| 引用本文： | 彭坤,明辰,叶祥熙,张文献,庄军,宁西京.原子掺杂对单元材料结晶能力的影响[J].海洋学报,2010,32(10):7245-7251. |
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| 作者姓名： | 彭坤 明辰 叶祥熙 张文献 庄军 宁西京 |
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| 作者单位： | 复旦大学现代物理研究所,教育部应用离子束物理重点实验室,上海 200433;复旦大学现代物理研究所,教育部应用离子束物理重点实验室,上海 200433;复旦大学现代物理研究所,教育部应用离子束物理重点实验室,上海 200433;复旦大学光科学与工程系,上海 200433;复旦大学光科学与工程系,上海 200433;复旦大学现代物理研究所,教育部应用离子束物理重点实验室,上海 200433 |
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| 基金项目： | 国家自然科学基金(批准号:10574030)资助的课题. |
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| 摘 要： | 2009年我们建立了一个凝结势模型用以预测材料形成单晶体的能力,表明单元体材料(Ni,Al,Cu,Ar,Mg)的结晶能力随凝结势的增大而单调增强.本文将凝结势模型应用于二元材料体系,并结合分子动力学模拟研究了6% Al原子掺杂对于Ni单晶材料结晶能力的影响.模拟结果发现,Al元素的掺杂会大大减弱Ni单晶的结晶能力,在此基础上提出了二元材料体系凝结势的定义,表明凝结势模型可广泛应用于预测二元体材料的结晶能力.
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| 关 键 词： | 单晶材料 结晶学 分子动力学 凝结势模型 |
Influence of doping on the crystallization ability of mono-component materials |
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| Peng Kun,Ming Chen,Ye Xiang-Xi,Zhang Wen-Xian,Zhuang Jun and Ning Xi-Jing.Influence of doping on the crystallization ability of mono-component materials[J].Acta Oceanologica Sinica (in Chinese),2010,32(10):7245-7251. |
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| Authors: | Peng Kun Ming Chen Ye Xiang-Xi Zhang Wen-Xian Zhuang Jun and Ning Xi-Jing |
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| Institution: | Key Laboratory of Applied Ion Beam Physics Laboratory of Ministry of Education, Institute of Modern Physics, Fudan University, Shanghai 200433, China;Key Laboratory of Applied Ion Beam Physics Laboratory of Ministry of Education, Institute of Modern Physics, Fudan University, Shanghai 200433, China;Key Laboratory of Applied Ion Beam Physics Laboratory of Ministry of Education, Institute of Modern Physics, Fudan University, Shanghai 200433, China;Department of Optics Science and Engineering, Fudan University, Shanghai 200433, China;Department of Optics Science and Engineering, Fudan University, Shanghai 200433, China;Key Laboratory of Applied Ion Beam Physics Laboratory of Ministry of Education, Institute of Modern Physics, Fudan University, Shanghai 200433, China |
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| Abstract: | Recently, we developed a condensing potential model to predict the ability for materials to form single crystals, and it showed that the ability of mono-component materials (Ni, Al, Cu, Ar, Mg) increases monotonically with the increasing condensing potentials. The present work applied the condensing potential model to binary-component materials. Via molecular dynamics simulations, we investigated the influence of 6 wt% Al doping on the crystallization ability of Ni crystal and found that the doping heavily decreased the crystallization ability. Then a condensing potential model for binary-component materials was developed and was shown as a promising tool to predict the crystallization ability of binary-component materials. |
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| Keywords: | single crystal crystallography molecular dynamics condensing potential model |
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