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中国物理学会期刊

镁中位错和非晶作用机制的分子动力学模拟

CSTR: 32037.14.aps.71.20212318

Molecular dynamics simulation of mechanism of interaction between dislocation and amorphism in magnesium

CSTR: 32037.14.aps.71.20212318
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  • 镁合金作为最轻的金属结构材料, 被誉为21世纪的“绿色工程材料”, 具有广阔的应用前景. 晶体-非晶双相纳米镁材料更是表现了优异力学性能, 但是晶体中位错与非晶相的相互作用机制尚不明确. 本文采用分子动力学模拟方法研究了剪切载荷作用下纳米晶镁中刃位错与非晶相的相互作用机制. 研究结果表明, 纳米晶镁中非晶相与位错的相互作用机制表现出一定的尺寸依赖性. 相较于非晶相尺寸较小的样品, 较大的非晶相尺寸会导致较大的二次应力强化现象. 非晶相和位错的作用机制主要归结为非晶相对位错的钉扎作用. 对于非晶相尺寸较小的样品, 非晶相对位错的钉扎作用有限, 钉扎时间较短, 其相互作用主要是位错绕过非晶相的机制; 而对于非晶相尺寸较大的样品, 非晶相对位错的钉扎作用较大, 钉扎时间较长, 其相互作用主要是非晶相引发的位错的交滑移机制. 本文的研究结果对于设计和制备高性能的镁及其合金材料具有一定的参考价值和指导意义.

     

    As the lightest metal structural material, magnesium alloy is known as the “green engineering material” of the 21st century. Especially, crystalline-amorphous dual-phase nanostructure magnesium materials exhibit excellent mechanical properties, though the mechanism of interaction between the dislocation in crystal and amorphous phase is still under the investigation. In the present work, the interaction between the edge dislocation and amorphous phase in nanocrystalline magnesium under shear load is studied by using molecular dynamics simulation. The result indicates that the interaction mechanism between amorphous phase and dislocation shows the size dependence. Compared with the sample with smaller amorphous size, larger amorphous size will lead to a large second strengthening effect. And the mechanism of the interaction between amorphous phase and dislocation is mainly attributed to the pinning effect of amorphous on the dislocation. For the samples with small amorphous size, the pinning effect of amorphous on the dislocation is limited and the pinning time is shorter. The interaction mechanism is contributed mainly by the dislocation bypassing amorphous phase. While for the samples with larger amorphous size, the pinning effect of amorphous on the dislocation is larger and the pinning time is longer. The interaction is due mainly to the cross slip mechanism of dislocation caused by amorphous phase. The results from this work have a certain reference value and guiding significance for designing and preparing the high-performance magnesium and its alloys.

     

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