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Cu64Zr36合金非晶剪切帶形成的分子動力學(xué)模擬
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國家自然科學(xué)基金 (10932008, 10902090); 西北工業(yè)大學(xué)111項目 (B07050)


Molecular Dynamics Simulation of Deformation of Shear Bands in Alloy Glass Metal Cu64Zr36
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    摘要:

    用分子動力學(xué) (MD) 模擬方法研究在軸向壓縮下，冷卻速率、應(yīng)變率、環(huán)境溫度、裂縫對Cu64Zr36二元非晶合金力學(xué)性能的影響。在模擬中，采用EAM勢函數(shù)表述原子間的相互作用。計算結(jié)果表明：非晶的彈性模量和抗壓強(qiáng)度都比晶體試樣大一倍多，而當(dāng)應(yīng)變≥15%時兩種試樣的流動應(yīng)力幾乎相等；冷卻速率緩慢得到的非晶試樣由于原子發(fā)生重組變疏松，產(chǎn)生剪切帶，而冷卻速率較快得到的試樣則沒有發(fā)生重組；試樣的彈性模量、抗壓強(qiáng)度和流動應(yīng)力對應(yīng)變率變化很不敏感；隨著環(huán)境溫度的升高，流動應(yīng)力、抗壓強(qiáng)度和彈性模量降低；有初始裂紋的試樣剪切帶集中，從裂紋尖端開始，與加載方向呈45o方向擴(kuò)展

    Abstract:

    The dynamic mechanical properties of a model binary Cu64Zr36 metallic glass under axial compression were obtained by molecular dynamics (MD) simulation. Cooling rate, strain rate, surrounding temperature and initial crack were investigated. In the simulation, EAM potential function was adopted to describe the relationship between atoms. Results show that the elastic modulus and the compressive strength of the metallic glass are twice more than those of the crystal metal. A main shear is generated in the specimen prepared at a slow cooling rate because of the rearrangement of atoms, while in the specimen prepared at fast cooling rate no atom rearrangement takes place. The elastic modulus, falling stress and flow stress are non-sensitive to strain rate. However, they decrease with increasing of surrounding temperature. The specimens with initial cracks show highly localized shear bands which are generated from the crack tip and propagate at the angle of 45o away from the loading direction

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項新梅,李玉龍,潘志亮. Cu64Zr36合金非晶剪切帶形成的分子動力學(xué)模擬[J].稀有金屬材料與工程,2012,41(8):1409~1412.[Xiang Xinmei, Li Yulong, Pan Zhiliang. Molecular Dynamics Simulation of Deformation of Shear Bands in Alloy Glass Metal Cu64Zr36[J]. Rare Metal Materials and Engineering,2012,41(8):1409~1412.]
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  • 收稿日期:2011-09-05
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