AlCrCoFeNiTiSiV高熵合金微观组织结构分析.doc

AlCrCoFeNiTiSiV高熵合金微观组织结构分析 摘 要％％Al-Cr-Co-Fe-Ni-Ti-Si-V多主元高熵合金，应用分子动力学软件计算室温下AlCrCoFeNiTiSiV及AlCrCoFeNiTiSiV0.5的微观组织结构，并且通过实验验证。最后通过XRD等手段分析实验验证钒含量对高熵合金微观组织结构的影响规律。 关键词：AlCrCoFeNiTiSiV high entropy alloy microstructure analysis Abstract: High entropy alloys is a new research and development in recent years, which was used in our life named alloy materials, and it’s the most prominent feature is not limited to use a metal or two metals way of thinking in the development of the alloy, but a new research is presented, with melting, sintering method to combined five or more major elements into new metal material. The atomic percentage of each of element is between 5％～35％. Compared with traditional alloy, new alloy with excellent performance. Such as, high temperature resistant,it is difficult to corrode.high strength,high hardness,etc.It can be said that the discovery of high entropy alloys not only greatly improve the performance of the alloy,but also enlarged the scope of the choice of metal. This topic research is Al-Co-Fe-Ni-Cr-Ti-Si-V primary high entropy alloys, applied molecular dynamics software to caculate AlCrCoFeNiTiSiV and AlCrCoFeNiTiSiV0.5 at room temperature microstructure, and through the experiment. Finally by means of XRD analysis experiment vanadium content on the influence law of high entropy alloys microstructure. Keywords:high entropy alloys, microstructure and performance 目 录 1.绪论 1 1.1概述 1 1.2 本课题设计目的及意义： 1 ?1.3国内外研究进展： 2 2.分子动力学模拟方法 8 2.1计算材料科学建模 8 2.2分子动力学模拟的研究进程 9 2.3分子动力学的计算流程 10 2.4分子动力学基本理论 11 2.4.1分子动力学系综 11 2.4.2原子势函数 12 2.4.3 边界条件、初始条件 12 3. 软件模拟结果分析 14 3.1 计算方法与计算模型 14 3.2 Lammps的模拟结果与分析 14 4. 实验验证 18 4.1 合金元素的成分设计与试样的制备 18 4.1.1 合金元素的成分设计 18 4.1.2 合金试样的制备 18 4.2 合金的组织结构分析 20 4.2.1 X-ray衍射实验 20 4.2.2 SEM图谱分析 21 5. 总结与展望 22 5.1总结 22 5.2 期望 23 6. 参考文献 23 7.致谢 25 绪论 1.1概述 随着人类社会的不断更新、发展，社会生活方式的不断转变，我们所熟悉的传 统合金已经不能满足人们对日常用品的需求。因此近几年一种新合金开始逐渐的在 材料界兴起，它就是高熵合金。根据等摩尔比或近等摩尔比将五种元素或五种以上 的元素经过先熔炼、再烧结或使用其他方法组合成的一种具有金属特性的材料。一般