不同波形加载下[100]单晶铝层裂破坏的分子动力学模拟研究

杨向阳; 吴楯; 祝有麟; 李俊国; 张睿智; 张建; 罗国强

doi:10.11858/gywlxb.20240786

不同波形加载下[100]单晶铝层裂破坏的分子动力学模拟研究

doi: 10.11858/gywlxb.20240786

杨向阳^{1, 2,},
吴楯¹,
祝有麟^{2, 3},
李俊国^{2, 3},
张睿智^{1, 2,*, ,},
张建^{2, 3,*, ,},
罗国强^{2, 3}

1.
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
2.
武汉理工大学湖北省先进复合材料技术创新中心, 湖北武汉　430070
3.
武汉理工大学材料复合新技术国家重点实验室, 湖北武汉　430070

基金项目: 国家自然科学基金（51932006）；湖北省技术创新专项重大项目（2019AFA176）

详细信息

作者简介:
杨向阳（2000－），男，硕士研究生，主要从事单晶层裂的分子动力学模拟研究. E-mail：331159@whut.edu.cn

通讯作者:
张睿智（1991－），男，博士，助理研究员，主要从事阻抗梯度飞片设计与制备技术研究.E-mail：zhangrz027@163.com

张　建（1984－），男，博士，研究员，博士生导师，主要从事阻抗梯度飞片设计与制备技术研究.E-mail：zhangjian178@whut.edu.cn

中图分类号: O347.1; O521.2
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出版历程
- 收稿日期: 2024-04-09
- 修回日期: 2024-04-28
- 网络出版日期: 2024-05-23
- 刊出日期: 2024-06-03

Molecular Dynamics Simulation Study on Spallation Failure of [100] Single Crystal Aluminum under Different Waveform Loadings

YANG Xiangyang^{1, 2
,},
WU Dun¹,
ZHU Youlin^{2, 3},
LI Junguo^{2, 3},
ZHANG Ruizhi^{1, 2,*
, ,},
ZHANG Jian^{2, 3,*
, ,},
LUO Guoqiang^{2, 3}

1.
National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang 621999, Sichuan, China
2.
Hubei Technology Innovation Center for Advanced Composites, Wuhan University of Technology, Wuhan 430070, Hubei, China
3.
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, Hubei, China

摘要

摘要: 采用分子动力学方法模拟了[100]单晶铝在等冲量斜波和方波作用下的形变和层裂行为，分析了加载波形与层裂行为之间的相关性。研究表明，脉冲形状与热力学路径的协同作用影响了材料层裂。不同加载波形下单晶铝层裂强度的差异并非受缺陷主导的非均匀孔洞形核影响，而是由不同热力学路径下温升的差异决定。例如：当最大加载速度为3.00 km/s时，单晶铝均经历均匀层裂，但斜波加载下铝的层裂强度较方波加载时提升56.6%。斜波加载会产生逐渐增强的压缩波，使单晶铝产生相比于冲击加载更轻度的损伤。这一现象随着加载速度的提高而变得更加显著。
- 层裂 /
- 单晶铝 /
- 分子动力学模拟 /
- 斜波加载
Abstract: In this study, molecular dynamics method was used to simulate the deformation and spallation behavior of [100] single crystal aluminum under the action of equivalent ramp waves and square waves. Accordingly, the correlation between loading waveform and spallation behavior was analyzed. The results showed that the synergistic effect of the pulse shape transition and the thermodynamic path affected the material spallation. The nucleation of non-uniform holes dominated by defects was not the decisive factor affecting the spallation strength of materials. The difference of spallation characteristics of materials under different loading waveforms was mainly determined by the difference of temperature rise under different thermodynamic paths, which led to uniform spallation at maximum velocity of 3.00 km/s, but the spall strength of ramp wave group was 56.6% higher than that of square wave group. Due to the gradual compression and slight temperature softening effect, the ramp wave loading made the material presented milder damage than the impact loading, which became more significant with the increase of loading speed.
- spallation /
- single crystal aluminum /
- molecular dynamics simulation /
- ramp wave loading

HTML全文

图 1 (a)活塞法生成层裂示意图，(b) 载荷时程曲线

Figure 1. (a) Schematic diagram of spallation generation by piston method; (b) loading history curves

下载: 全尺寸图片幻灯片

图 2 层裂强度（整体法）对最大速度和脉冲形状的依赖性

Figure 2. Dependence of spall strength (from bulk) on the maximum velocity and pulse shape

下载: 全尺寸图片幻灯片

图 3 层裂强度（自由面法）对最大速度和脉冲形状的依赖性

Figure 3. Dependence of spall strength (from surface) on the maximum velocity and pulse shape

下载: 全尺寸图片幻灯片

图 4 2种方法得到的层裂强度的对比

Figure 4. Comparison of spall strengths obtained by two methods

下载: 全尺寸图片幻灯片

图 5 外加拉伸应变率与层裂温度及脉冲形状的关系

Figure 5. Dependency of applied tensile strain rate on spall temperature and pulse shape

下载: 全尺寸图片幻灯片

图 6 实验^[26–31]和模拟得到的层裂强度随应变率的变化

Figure 6. Variation of the spall strength with strain rate in experiments^[26–31] and this simulation

下载: 全尺寸图片幻灯片

图 7 层裂强度与层裂面温度的关系

Figure 7. Relationship between spall strength and temperature on the spall plane

下载: 全尺寸图片幻灯片

图 8 应力波抵达自由表面时系统的原子构型

Figure 8. Atomic configuration of the system when the stress wave reaches the free surface

下载: 全尺寸图片幻灯片

图 9 v_p 为1.00和2.00 km/s时方波和斜波组中σ_xx的位置-时间（x-t）图

Figure 9. Position of σ_xx versus time (x-t) diagrams when v_p is 1.00 and 2.00 km/s under square wave and ramp wave loading

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图 10 选定切片原子的应变率-时间曲线

Figure 10. Time history of strain rate for selected slice atoms

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图 11 v_p 为1.25和1.50 km/s时斜波组层裂面上的缺陷结构随时间的演化

Figure 11. Time evolution of corresponding defect structure on the spall plane when v_p is 1.25 and 1.50 km/s under ramp wave loading

下载: 全尺寸图片幻灯片

图 12 斜波和方波加载下空洞数量和损伤比的演变历程

Figure 12. Evolution history of void number and damage ratio under square wave and ramp wave loading

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表 1 不同工况下的层裂强度、应变速率和层裂温度

Table 1. Spall strength, strain rate, and spall temperature of different cases

Group	v_p/(km·s⁻¹)	σ_sp/GPa		$ \dot{\varepsilon }$/(10⁹ s⁻¹)	T_sp/K
Group	v_p/(km·s⁻¹)	From bulk	From surface	$ \dot{\varepsilon }$/(10⁹ s⁻¹)	T_sp/K
Ramp wave	1.00	9.748	8.536	1.864	223.82
	1.25	8.814	7.528	2.350	272.24
	1.50	9.847	7.851	2.983	224.95
	1.75	9.941	8.678	3.282	227.39
	2.00	10.084	8.233	3.664	230.75
	2.25	10.358	7.546	4.123	233.08
	2.50	10.321	7.077	4.556	236.06
	2.75	10.308	6.764	4.855	236.80
	3.00	10.261	6.325	5.284	239.73
Square wave	1.00	8.180	7.725	2.287	333.47
	1.25	8.228	7.151	2.477	313.84
	1.50	9.511	8.646	2.670	291.85
	1.75	9.227	8.282	3.263	350.29
	2.00	8.689	7.578	3.611	404.72
	2.25	7.977	7.039	4.055	494.94
	2.50	7.293	6.809	4.461	561.94
	2.75	6.900	6.518	4.901	579.97
	3.00	6.551	6.135	5.312	594.51

下载: 导出CSV

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