| 晶体弹性行为的晶体相场模拟 |
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| 引用本文： | 叶里,黄礼琳,孔令一,卢强华,高英俊. 晶体弹性行为的晶体相场模拟[J]. 广西科学, 2016, 23(5): 474-477. DOI: 10.13656/j.cnki.gxkx.20161121.018 |
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| 作者姓名： | 叶里 黄礼琳 孔令一 卢强华 高英俊 |
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| 作者单位： | 广西大学物理科学与工程技术学院，广西高校新能源材料及相关技术重点实验室，广西南宁530004 |
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| 基金项目： | 国家自然科学基金项目(51161003;50661001)，广西自然科学基金重点项目(2012GXNSFDA053001)资助。 |
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| 摘 要： | 【目的】研究晶体相场模型中的弹性相互作用过程。【方法】通过连续的密度场,采用晶体相场模型提取和跟踪每个原子在时间演化过程中的位置,再通过求解PFC方程,并运用原子的位移来构建晶体的弹性能。最后通过调优波动参量和阻尼参数β,获得晶体的弹性及粘弹性行为特征。【结果】当β=0.9时,在力F的作用下,晶体响应是有弹性的。位置距离越远,其对应的应变越大,位移变化与原子对应位置大致成正比,具有弹性关系;当β=9时,在力F的作用下,位移变化与原子对应位置服从粘弹性响应关系。通过调优波动参量和阻尼参数,获得晶体的弹性及粘弹性行为特征。【结论】改变阻尼参数β后,可以采用晶体相场模型模拟晶体的弹性及粘弹性行为。
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| 关 键 词： | 晶体相场 模拟实验 位移 弹性 |
| 收稿时间： | 2016-09-03 |
Phase-field-crystal Simulation for Elastic Behavior of Crystals |
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| YE Li,HUANG Lilin,KONG Lingyi,LU Qianghua and GAO Yingjun. Phase-field-crystal Simulation for Elastic Behavior of Crystals[J]. Guangxi Sciences, 2016, 23(5): 474-477. DOI: 10.13656/j.cnki.gxkx.20161121.018 |
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| Authors: | YE Li HUANG Lilin KONG Lingyi LU Qianghua GAO Yingjun |
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| Affiliation: | Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, School of Physical Science and Technology, Guangxi University, Nanning, Guangxi, 530004, China,Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, School of Physical Science and Technology, Guangxi University, Nanning, Guangxi, 530004, China,Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, School of Physical Science and Technology, Guangxi University, Nanning, Guangxi, 530004, China,Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, School of Physical Science and Technology, Guangxi University, Nanning, Guangxi, 530004, China and Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, School of Physical Science and Technology, Guangxi University, Nanning, Guangxi, 530004, China |
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| Abstract: | Objective]Simulation experiments are conducted in phase-field-crystal (PFC)model to analyze elastic interaction.[Methods]Through the continuous density field,the phase field model is used to extract and track the position of each atom in the time evolution.The PFC method is used to solve the equation,and the atomic displacements are used to construct the crystal elastic energy.[Results]Whenβ=0.9,the crystal response is elastic under the action of force F.The farther away from the position,the larger the strain is,and the change of displace-ment is roughly proportional to the position of the atom.Under the action of the force F,the change of displacement and the position of the atom correspond to the viscoelastic response whenβ=9.By tuning wave parameters and damping parameters,the elastic and viscoelastic be-haviors of crystals are obtained.[Conclusion]After changing the damping parameterβ,the phase-field-crystal model can be used to simulate the elastic and viscoelastic behaviors of crystals. |
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| Keywords: | phase-field-crystal simulation experi-ment displacement elasticity |
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