冲击速度对单晶镍层裂行为的影响规律及作用机制

王路生; 罗龙; 刘浩; 杨鑫; 丁军; 宋鹍; 路世青; 黄霞

doi:10.7498/aps.73.20240244

摘要

为了阐明冲击速度对单晶镍冲击层裂行为的影响机理, 采用非平衡分子动力学方法获得了不同冲击速度下单晶镍自由面的速度、径向分布函数、原子晶体结构、位错和孔洞演化过程. 结果表明单晶镍层裂行为的临界冲击速度为1.5 km/s, 当冲击速度U_p ≤ 1.5 km/s时, 层裂机制为经典层裂损伤, 而U_p>1.5 km/s时表现出微层裂损伤. 相比经典层裂, 微层裂下孔洞数量显著增加, 分布更为分散, 应力区域宽. 分析了冲击速度对经典层裂损伤行为(U_p ≤ 1.5 km/s)的影响, 并获得了相应的层裂强度, 当U_p = 1.3 km/s时, 发生层裂强度突变. 单晶镍的层裂强度与层错、相变和位错机制共同作用. 随着位错形核和发射位错数量增加, 导致层裂强度先下降. 当冲击速度U_p < 1.3 km/s时, 层裂损伤主要由层错作用影响; 当U_p = 1.3 km/s时, 层裂强度主要受到层错与相变共同竞争作用; 当冲击速度U_p > 1.3 km/s, 层裂强度主要由BCC相变机制影响, 其相变机制为相变路径为FCC→BCT→BCC的马氏体相变机制. 本文揭示了冲击速度对层裂损伤和断裂影响规律及作用机制, 可为镍基材料在极端冲击条件下的防护应用提供理论基础.

关键词:

Abstract

In order to reveal the influence of impact velocity (U_p) on the spalling and fracture behavior of single crystal nickel, a non-equilibrium molecular dynamics approach is adopted to investigate the free surface velocity curve, radial distribution function, atomic crystal structures, dislocations, and void evolution process. The results show that the critical impact velocity U_p for spalling behavior in single crystal nickel is 1.5 km/s, and when U_p ≤ 1.5 km/s the spallation mechanism is classical spallation damage and when U_p >1.5 km/s it behaves as micro-spallation damage. The pore number and distribution area, and stress distribution area under micro-spallation damage are much higher than those under classical spallation damage. The influence of impact velocity on the classical spalling damage behavior (U_p ≤ 1.5 km/s) is analyzed and the corresponding spalling strength is obtained, indicating that an accident of spalling strength occurs when U_p is 1.3 km/s. The spalling strength of single crystal nickel is influenced by the combined effects of stacking faults, phase transformation, and dislocation. As the nucleation and emission of dislocations increase, the spalling strength decreases. When U_p < 1.3 km/s, the spalling damage is mainly due to stacking faults. When U_p = 1.3 km/s, the spalling strength is mainly affected by the competition between stacking faults and phase transformation. When U_p > 1.3 km/s, spalling strength is predominantly influenced by the body-centered cubic (BCC) phase transformation mechanism (transformation path: FCC → BCT → BCC). This study reveals the impact velocity-dependent patterns, mechanisms, and effects on spalling damage and fracture, providing a theoretical basis for realizing the protective application of nickel-based materials under extreme impact conditions.

Keywords:

作者及机构信息

1.
重庆理工大学机械工程学院, 重庆　400054

2.
西南科技大学环境与资源学院, 绵阳　621000

通信作者: 黄霞, huangxia@cqut.edu.cn

基金项目: 国家自然科学基金青年基金(批准号: 12202081)、重庆市自然科学基金面上项目(批准号: CSTB2023NSCQ-MSX0363)和重庆市教委科学技术研究计划青年项目(批准号: KJQN202301117)资助的课题.

Authors and contacts

1.
College of Mechanical Engineering, Chongqing University of Technology, Chongqing 400054, China

2.
School of Environment and Resource, Southwest University of Science and Technology, Mianyang 621000, China

Corresponding author: Huang Xia, huangxia@cqut.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 12202081), the National Natural Science Foundation of Chongqing, China (Grant No. CSTB2023NSCQ-MSX0363), and the Science and Technology Research Program of Chongqing Municipal Education Commission, China (Grant No. KJQN202301117).

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参考文献

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施引文献

图 1 单晶镍冲击加载模型

Fig. 1. Impact loading model of single crystal nickel.

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图 2 数值模拟和实验获得的单晶镍的冲击波速度U_s与加载速度U_p的线性关系

Fig. 2. Linear relationship between the shock wave velocity U_s and the loading velocity U_p of single crystal nickel.

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图 3 不同冲击速度下单晶镍的孔洞演化过程

Fig. 3. Void evolution of single crystal nickel at different impact velocities.

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图 4 不同冲击速度下单晶镍自由面的速度随时间演化曲线

Fig. 4. Time evolution between simulation time and free surface velocity for the single crystal nickel under different impact velocities.

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图 5 不同冲击速度下单晶镍对应初始时刻、压缩时刻、拉伸时刻的RDF

Fig. 5. RDF of single crystal nickel corresponding to the initial time, compression time and tensile time at different impact velocities.

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图 6 冲击速度为U_p = 1.0—1.5 km/s时的自由面速度曲线和层裂强度

Fig. 6. Free surface velocity curve and spalling strength when the impact velocity is U_p = 1.0–1.5 km/s.

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图 7 模拟时间t = 5 ps时, 不同冲击速度(U_p = 1.0—1.5 km/s)下单晶镍的截面微观原子构型(CNA表征)

Fig. 7. Microscopic atomic configuration (colored by CNA) of single crystal nickel at different impact velocities (U_p = 1.0–1.5 km/s) at simulation time t = 5 ps.

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图 8 模拟时间t = 5 ps时, 不同冲击速度(U_p = 1.0—1.5 km/s)下单晶镍晶体结构的原子数目定量统计

Fig. 8. Number of crystal structure atoms for the single crystal nickel under different impact velocity (U_p = 1.0–1.5 km/s) at simulation time of 5 ps.

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图 9 不同冲击速度(U_p = 1.0—1.5 km/s)下冲击波到达单晶镍自由面时的原子晶体构型和位错构型

Fig. 9. Atomic crystal configuration and dislocation configuration when the shock wave reaches the free surface of single crystal nickel at different impact velocities (U_p = 1.0–1.5 km/s).

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图 10 不同冲击速度(U_p = 1.0—1.5 km/s)下单晶镍的位错演化过程

Fig. 10. Dislocation evolution of single crystal nickel at different impact velocities (U_p = 1.0–1.5 km/s).

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图 11 不同冲击速度(U_p = 1.0—1.5 km/s)下的孔洞成核与断裂微观图

Fig. 11. Micrographs of void nucleation and fracture under different impact velocities (U_p = 1.0–1.5 km/s).

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图 12 冲击速度分别为0.9 km/s和1.25 km/s时的孔洞成核与断裂微观图

Fig. 12. Micrographs of void nucleation and fracture at impact velocities of 0.9 km/s and 1.25 km/s.

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图 13 冲击速度为1 km/s时, 单晶镍的原子构型演化过程(CNA表征)

Fig. 13. Evolution of atomic configuration of single crystal nickel at impact velocity of 1 km/s (CNA characterization).

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图 14 冲击作用下单晶镍中FCC→BCT→ BCC晶体转变原理

Fig. 14. Principle of FCC→BCT→ BCC crystal transition in single crystal nickel under impact loading.

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表 1 冲击速度为U_p = 1.0—1.5 km/s时的加载应力和断裂时间

Table 1. Loading stress and fracture time under the impact velocity of U_p = 1.0–1.5 km/s.

冲击速度 U_p/(km·s^–1) 加载应力 P/GPa 断裂时间 t_f/ps

1.0 53.67 3.8

1.1 60.46 3.2

1.2 67.49 2.4

1.3 74.78 1.8

1.4 82.33 1.4

1.5 90.13 1.2

下载: 导出CSV

表 2 冲击速度分别为0.9 km/s和1.25 km/s时的加载应力和断裂时间

Table 2. Loading stress and fracture time under the impact velocity of 0.9 km/s and 1.25 km/s.

冲击速度 U_p (km/s) 加载应力P/GPa 断裂时间t_f/ps

0.9 47.13 5.2
1.25 69.93 2.0

下载: 导出CSV

[1]	Tang Y, Wang R X, Xiao B, Zhang Z R, Li S, Qiao J W, Bai S X, Zhang Y, Liaw P K 2023 Prog. Mater. Sci. 135 101090 Google Scholar
[2]	Arcade S, Paul J H, Juan P E, Wang H X, Oromiehie E, Prusty G B, Phillips A W, John N A S 2023 Compos. Part A-Appl. S 173 107674 Google Scholar
[3]	Wang P F, Xu S L 2022 Advances in Experimental Impact Mechanics (Elsevier) pp41–74
[4]	余文韬, 黄佩珍 2018 力学学报 50 828 Google Scholar Yu W T, Huang P Z 2018 Chin. J. Theor. Appl. Mech. 50 828 Google Scholar
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[10]	Luo Q S, Kitchen M, Li J B, Li W B, Li Y Z 2023 Wear 523 204779 Google Scholar
[11]	Zhang W L, Kennedy G B, Muly K, Li P J, Thadhani N N 2020 Int. J. Impact Eng. 146 103725 Google Scholar
[12]	Cheng J C, Chai H W, Fan G L, Li Z Q, Xie H L, Tan Z Q, Bie B X, Huang J Y, Luo S N 2020 Carbon 170 589 Google Scholar
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[19]	Schuler H, Mayrhofer C, Thoma K 2006 Int. J. Impact Eng. 32 1635 Google Scholar
[20]	Li P, Wang L S, Yan S L, Meng M, Zhou Y F, Xue K M 2021 Int. J. Refract. Met. H. 94 105376 Google Scholar
[21]	Xiang M Z, Hu H B, Chen J, Long Y 2013 Modell. Simul. Mater. Sci. Eng. 21 055005 Google Scholar
[22]	Kadau K, Germann T C, Lomdahl P S, Holian B L 2002 Science 296 1681 Google Scholar
[23]	Liao Y, Xiang M Z, Zeng X G, Chen J 2015 Mech. Mater. 84 12 Google Scholar
[24]	Li W H, Yao X H 2016 Comput. Mater. Sci. 124 151 Google Scholar
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[26]	Chen B, Li Y L, Şopu D, Eckert J, Wu W P 2023 Int. J. Plasticity 162 103539 Google Scholar
[27]	Jiang D D, Shao J L, Wu B, Wang P, He A M 2022 Scripta Mater. 210 114474 Google Scholar
[28]	Xie H C, Ma Z C, Zhang W, Zhao H W, Ren L Q 2024 J. Mater. Sci. Tech. 175 72 Google Scholar
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[30]	徐送宁, 张林, 张彩碚, 祁阳 2007 金属学报 43 379 Xu S N, Zhang L, Zhang C B, Qi Y 2007 Acta Metall. Sin. 43 379
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[33]	Chen B, Wu W P, Chen M X 2022 Comput. Mater. Sci. 202 111015 Google Scholar
[34]	Zhou X W, Johnson R A, Wadley H N G 2004 Phys. Rev. B 69 144113 Google Scholar
[35]	Kedharnath A, Kapoor R, Sarkar A 2021 Comput. Struct. 254 106614 Google Scholar
[36]	Potirniche G P, Horstemeyer M F, Wagner G J, Gullett P M 2006 Int. J. Plasticity 22 257 Google Scholar
[37]	Wang W D, Yi C L, Fan K Q 2013 Trans. Nonferrous Met. Soc. China 23 3353 Google Scholar
[38]	周延, 蔡洋, 卢磊 2022 实验力学 37 183 Zhou Y, Cai Y, Lu L 2022 J. Exp. Mech. 37 183
[39]	Jian W R, Xie Z C, Xu S Z, Yao X H, Beyerlein I J 2022 Scripta Mater. 209 114379 Google Scholar
[40]	王云天, 曾祥国, 陈华燕, 杨鑫, 王放, 祁忠鹏 2021 爆炸与冲击 41 139 Google Scholar Wang Y T, Zeng X G, Chen H Y, Yang X, Wang F, Qi Z P 2021 Explo. Shock Waves 41 139 Google Scholar
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[42]	Zhou T T, He A M, Wang P, Shao J L 2019 Comput. Mater. Sci. 162 255 Google Scholar
[43]	Thürmer D, Zhao S T, Deluigi O R, Stan C, Alhafez I A, Urbassek H M, Meyers M A, Bringa E M, Gunkelmann N 2022 J. Alloys Compd. 895 162567 Google Scholar
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冲击速度对单晶镍层裂行为的影响规律及作用机制