多尺度模拟计算方法在超高温高熵陶瓷材料中的应用进展

Application Progress of Multi-scale Simulation Method in Ultrahightemperature High Entropy Ceramic Materials

超高温高熵陶瓷材料以难熔金属碳化物、硼化物、氮化物等为组元,具有较高的硬度、高温强度以及良好的热稳定性,已成为超高温陶瓷领域研究的热点方向之一。与传统材料相比,超高温高熵陶瓷涉及复杂成分空间、多个尺度维度、极端多场耦合服役环境,采用传统经验试错法开发超高温高熵陶瓷效率过低,故而需要改变材料研究范式,依靠多尺度模拟计算方法提高超高温高熵陶瓷研发与应用效率。本文首先简要介绍了具有代表性的多尺度材料计算方法,进而综述了多尺度材料计算方法在超高温高熵陶瓷研究中的典型应用成果,最后对多尺度材料计算方法在超高温高熵陶瓷研究中的前景进行了展望。

Ultrahigh-temperature high entropy ceramics are composed of refractory metal carbides,borides and nitrides,which exhibit high hardness,high temperature strength and good thermal stability.Ultrahigh-temperature high entropy ceramics become one of the hot research directions in the field of ultrahigh temperature ceramics.Compared with traditional materials,ultrahigh-temperature high entropy ceramics involve complex component space,multiple scale dimensions and extreme multi-field coupling service environment.The efficiency of developing ultrahigh-temperature high entropy ceramics by traditional trial and error method is poor.Therefore,it is necessary to change the material research paradigm and improve the developing and application efficiency of ultrahightemperature high entropy ceramics by relying on multi-scale simulation calculation method.The representative multi-scale material calculation methods is briefly introduced,and the typical application achievement of multiscale materials calculation methods in the research of ultrahigh-temperature high entropy ceramics are summerized.Finally,the prospect of multi-scale material calculation methods in the research of ultrahigh temperature high entropy ceramics is prospected.