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Molecular dynamics simulation to determine elastic constant and bulk modulus from Mg-xZn

机译:分子动力学模拟以确定Mg-XZN的弹性常数和散装模量

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The research of molecular dynamic simulation by classical mechanic method on Mg-xZn has been done. The goal of this research is to find out Mg-xZn's structure after it's been given temperature treatment and how it's mechanical properties. Potential which been used are Embedded Atomic Method (EAM), Stillinger and Weber (SW), and Lennard- Jones (LJ). The structure of Mg-xZn before temperature treatment was HCP. Mechanical properties which observed are elastic constant and bulk modulus. Temperature treatment simulation was conducted before mechanical properties simulation is done by doing heating- cooling process simulation on the fixed material's structure. Elastic constant value on Mg-xZn which has low percentage of Zn is higher than the one which has high percentage. Elastic constant value from melting treatment is higher than sintering treatment. Elastic constant that its value is approaching good mechanical properties is sintering treatment Mg-7Zn which has C11, C12, and C44 is 34,05 GPa, 12,79 GPa, and 1,33 GPa respectively.
机译:已经完成了通过经典机械方法对MG-XZN进行分子动态模拟的研究。该研究的目标是在获得温度处理之后找到Mg-XZN的结构以及它是如何机械性能的。已使用的潜力是嵌入原子方法(EAM),STERERINR和WEBER(SW)和Lennard-琼斯(LJ)。温度处理前Mg-XZN的结构是HCP。观察到的机械性能是弹性恒定和体积模量。在机械性能模拟之前进行温度处理模拟通过在固定材料结构上进行加热冷却过程模拟来进行。 Zn百分比低的Mg-XZN上的弹性恒定值高于具有高百分比的百分比。熔化处理的弹性恒定值高于烧结处理。弹性常数,其值接近良好的机械性能是烧结处理Mg-7zn,其具有C11,C12和C44分别为34,05GPa,12,79gPa和1,33GPa。

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