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高熵合金作为一类新兴合金材料，由于其优异的力学性能，在航空、航天、军事等领域具有广阔的应用前景。本文利用分子动力学方法，探讨了温度对CoCrFeMnNi高熵合金冲击响应和塑性变形机制的影响。研究发现初始温度的增加使得冲击压力、冲击波传播速度和冲击温升下降。冲击Hugoniot弹性极限随着温度的上升线性下降。随着冲击强度的增加，CoCrFeMnNi高熵合金发生了复杂的塑性变形，包括位错滑移、相变、变形孪晶和冲击诱导非晶化。在较高的初始温度下，CoCrFeMnNi高熵合金内部出现无序团簇，其和由FCC转变而成的BCC结构以及无序结构是位错成核的重要来源。由于Mn元素具有相对较大的原子体积和势能，所以在Mn元素的周围会出现较大的晶格畸变和局部应力，从而为冲击诱导塑性变形提供较大的贡献。在温度较高时， Fe元素对塑性变形的贡献和Mn元素一样重要。研究结果有助于深刻理解CoCrFeMnNi高熵合金的冲击诱导塑性和相关变形机制，为CoCrFeMnNi高熵合金在不同温度下涉及高应变率冲击过程的应用提供理论支撑。High-entropy alloys have broad application prospects in aviation,aerospace,military and other fields due to their excellent mechanical properties.Temperature is an important external factor affecting the shock response of high-entropy alloys.Molecular dynamics methods are used to investigate the effect of temperature on the shock response and plastic deformation mechanisms of CoCrFeMnNi high-entropy alloys.The effects of temperature on the atomic volume and the radial distribution function of CoCrFeMnNi high-entropy alloys are studied.Then,the piston method is used to generate shock waves in the sample to research the shock response of CoCrFeMnNi high-entropy alloys.The polyhedral template matching method is used to observe the evolution of atomic-scale defects during the shock compression.The results show that the shock pressure,the shock wave propagation velocity,and the shock-induced temperature rise decrease with the increase of the initial temperature.For example,when piston velocity Up=1.5 km/s,the shock pressure at an initial temperature of 1000 K decreased by 6.7% compared to that at 1 K.Moreover,the shock Hugoniot elastic limit decrease linearly with the increase of temperature.The Hugoniot Up- Us curve of CoCrFeMnNi HEA in the plastic stage can be linearly fitted by the formula Us=c0+sUp.c0 decreases with increasing temperature.With increasing shock intensities,CoCrFeMnNi high-entropy alloys undergo complex plastic deformation,including dislocation slip,phase transformation,deformation twinning,and shock-induced amorphization.At relatively high initial temperature,disordered clusters appear inside CoCrFeMnNi HEA,which together with the BCC structure transformed from FCC and disordered structure are significant dislocation nucleation sources.Compared with other elements,Mn element has the largest proportion (25.4%) in disordered clusters.Due to the large atomic volume and potential energy,large lattice distortion and local stress occur around the Mn-rich element,which provides dominant contribution to shock-induced plastic deformation.At high temperatures,the contribution of Fe element to plastic deformation is as important as that of Mn element.The research results contribute to a deep understanding of the shock-induced plasticity and deformation mechanisms of CoCrFeMnNi high-entropy alloys.
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Keywords:
- High-entropy alloys /
- Shock response /
- Molecular dynamics /
- Temperature effects
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