Atomistic shock Hugoniot simulation of single-crystal copper
Atomistic shock Hugoniot simulation of single-crystal copper
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DOI：
10.1063/1.1789266
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发表时间：
2004-10-01
影响因子：
3.2
通讯作者：
Caturla, MJ
中科院分区：
文献类型：
--
作者：
Bringa, EM;Cazamias, JU;Caturla, MJ
采用非平衡分子动力学方法模拟了单晶铜中的平面激波。模拟结果与新的实验数据在这里提出的，为单晶铜的Hugoniot沿着。模拟的Hugoniot压力范围为2 GPa - 800 GPa，远高于冲击诱导熔化转变。大的各向异性被发现为冲击波传播沿着，，和，从对电位的结果定量差异。塑性变形开始于U（p）大于或接近0.75km/s，熔化发生在200 ~ 220 GPa之间，与多晶铜的实验熔化压力一致。我们模拟的Hugoniot的Voigt和Reuss平均值与多晶铜的实验Hugoniot相比，在熔化以下没有很好的比较。这可能是由于具有优先纹理和/或低得多的Hugoniot弹性极限的实验目标。(C)2004年，美国物理学会。
Planar shock waves in single-crystal copper were simulated using nonequilibrium molecular dynamics with a realistic embedded atom potential. The simulation results are in good agreement with new experimental data presented here, for the Hugoniot of single-crystal copper along . Simulations were performed for Hugoniot pressures in the range 2 GPa - 800 GPa, up to well above the shock induced melting transition. Large anisotropies are found for shock propagation along , , and , with quantitative differences from pair potentials results. Plastic deformation starts at U(p)greater than or similar to0.75 km/s, and melting occurs between 200 and 220 GPa, in agreement with the experimental melting pressure of polycrystalline copper. The Voigt and Reuss averages of our simulated Hugoniot do not compare well below melting with the experimental Hugoniot of polycrystalline copper. This is possibly due to experimental targets with preferential texturing and/or a much lower Hugoniot elastic limit. (C) 2004 American Institute of Physics.