Al-Cu合金中刃位错运动与纳米沉淀团簇相互作用分子动力学模拟
毕业论文关键词 Al-Cu 合⾦ GP 区 位错 Cu团簇 分⼦动⼒学模拟
Title The Molecular Dynamics Simulation of The Motion of Edge
Dislocation and The Interaction Between Nano Cu Precipitation and
Dislocation in Al-Cu Alloy
Abstract
In this work, molecular dynamic simulation method is used to establish Al dislocation
model and Cu clusters in Al model. And reanalyze the relationship between the
movement of dislocations in Al and shear stress(temperature).Then, we simulate the
dislocation in Al go through Cu clusters which we also call GP zone and we obtain the
following conclusion:
(1)When we apply shear stress in Al dislocation, it will move along the slip surface.
The velocity of movement is related to the applied stress. The more stress it gets, the
faster the dislocation is moving.
(2) The velocity of movement is related to the temperature. In certain shear stress. The
lower the temperature it gets, the faster the dislocation is moving.
(3) The dislocation in Al has an interaction with GP zone. The dislocation will attract
by Cu clusters. When it is close to Cu clusters. the more it is close to Cu clusters, the
faster it is moving. When it is far away from the Cu clusters. The more it is close to Cu
clusters, the slower it is moving. The dislocation line forms an angle.
Keywords Al-Cu alloy GP zone dislocation Cu clusters molecular dynamic simulation
目 次
1 绪论1
1.1 引言.1
1.2Al-Cu 合金强化机理.1
1.3 分子动力学简介 4
1.4 分子动力学模拟在材料学中的应用 7
2 势函数模拟及位错结构的建立. 8
2.1Al-Cu合金势函数 8
2.2 位错结构模型建立.9
3 Al中位错运动的分子动力学模拟 11
3.1 温度与位错运动速度的关系11
3.2 应力与位错运动速度的关系14
4 Al-Cu合金中位错与GP区相互作用模拟 19
结论 24
致谢 25
参考文献.26
1 绪论
1.1 引言
Al及其合金具有密度低、塑性好、比强度高、优良的耐腐蚀性、良好的切削加工
性能、导电性和导热性等，因此已经成为重要的结构材料。
自从 100 年前，纯 Al 的制造不在是难题以后，Cu 就是各种 Al 合金常用元素，
从而形成 Al-Cu合金。它又被称为硬铝合金，其中 Cu元素含量为 3%-6%（重量百分
比），Cu元素的加入可以使合金产生时效强化，大大克服纯铝强度低的缺点[1]
。
Al-Cu 合金如今应用广泛，在实际应用中，按照加入元素种类不同，可以分为如下几
类:铝-铜-锰系、铝-铜-锂系和铝-铜-镁系[2]
。铝-铜-锰系的合金牌号有 2219和25193等