冲击加载下蓝宝石力热耦合响应的分子动力学模拟  

Force-Thermal Coupling Response of Sapphire under Impact Loading Based on Molecular Dynamics Simulation

作　　者：周孟谦 战金辉[2] 贺文 操秀霞[3] 张伟 刘晓星[2] ZHOU Mengqian;ZHAN Jinhui;HE Wen;CAO Xiuxia;ZHANG Wei;LIU Xiaoxing(Beijing Key Laboratory of Clean Fuel and High-Efficiency Catalytic Emission Reduction Technology,School of New Materials and Chemical Engineering,Beijing Institute of Petrochemical Technology,Beijing 102617,China;State Key Laboratory of Mesoscience and Engineering,Institute of Process Engineering,Chinese Academy of Sciences,Beijing 100190,China;National Key Laboratory of Shock Wave and Detonation Physics,Institute of Fluid Physics,China Academy of Engineering Physics,Mianyang 621999,Sichuan,China)

机构地区：[1]北京石油化工学院新材料与化工学院燃料清洁化及高效催化减排技术北京市重点实验室,北京102617 [2]中国科学院过程工程研究所介科学与工程全国重点实验室,北京100190 [3]中国工程物理研究院流体物理研究所冲击波物理与爆轰物理全国重点实验室,四川绵阳621999

出　　处：《高压物理学报》2024年第6期149-161,共13页Chinese Journal of High Pressure Physics

基　　金：国家自然科学基金(11872344);中国工程物理研究院创新发展基金(CXXM20200700208)。

摘　　要：蓝宝石因其出色的强度、硬度和光学透明度,常被选为冲击波实验中的观测窗口。深入了解蓝宝石在冲击载荷下的力学和热力学响应机制以及内部损伤原因,对准确评估其性能和稳定性至关重要。利用分子动力学模拟,从原子层面探讨蓝宝石单晶在沿(0001)晶面(C面)冲击作用下的力热响应行为。模拟结果表明,蓝宝石C面冲击作用下激活的滑移系为基于R面{0112}的菱形面滑移。冲击速度为1~3 km/s时未出现滑移现象,冲击速度为4 km/s时出现菱形面滑移,冲击速度为5~6 km/s时试样出现以不规则条带为主的非均匀形变。研究表明,蓝宝石滑移系的激活不仅依赖其晶格结构,还需分剪切应力达到临界值。温度场的分析结果表明,局域温升与滑移之间存在对应关系,剪切应变集中区域的温度较高。Sapphire is often chosen as the observation window in shock wave experiments due to its excellent strength,hardness and optical transparency.A deep understanding of the mechanical and thermodynamic response mechanisms of sapphire under impact loading and the causes of internal damage is crucial for accurately evaluating its performance and stability.In this work,molecular dynamics simulations were performed to explore the mechanical and thermal response of a sapphire single crystal under shock loading along the C-plane.The results indicate that the activated slip system after the impact loading is the rhombic plane slip based on the R-plane{0112}.When the impact velocity is in the range of 1−3 km/s,no slip occurs;when the impact velocity reaches 4 km/s,slip occurs.When the impact velocity reaches to the range of 5−6 km/s,the sample shows inhomogeneous deformation,mainly composed of irregular stripes.Such results suggest that the activation of the slip system in sapphire depends not only on its lattice structure,but also on the partial shear stress(which needs to reach a critical value).The analysis of the temperature field indicates that there is an intrinsic relation between the local slip and temperature increase,i.e.,the formation of intense shear localization is accompanied by the higher temperature.

关 键 词：分子动力学 蓝宝石 冲击响应 损伤类型 

分 类 号：O469[理学—凝聚态物理] O521.2[理学—电子物理学]