预应力对多晶铁冲击行为影响的微观模拟研究

任国武; 张世文; 范诚; 陈永涛

doi:10.7498/aps.65.196203

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摘要

冲击加载铁动力学响应是当前冲击波领域金属材料塑性和相变行为研究最为关注的焦点之一.本文采用分子动力学模拟方法开展预应力作用下冲击加载多晶铁的动力学行为研究.模拟结果表明，随着预应力的增加，导致弹塑转变应力（Hugoniot弹性极限）和冲击波速度提高，符合已有的理论分析结果.微观晶体结构表征则发现较大的预应力导致剪应力大于屈服应力，塑性弛豫时间缩短，加快多晶铁相转变.进一步通过与平面及柱壳纯铁冲击加载获得的自由面速度剖面对比分析，证实了模拟结果.

关键词:

预应力 /
多晶铁 /
塑性 /
相变

作者及机构信息

1.
中国工程物理研究院流体物理研究所, 绵阳 621999

通信作者: 陈永涛, 13404005190@163.com

基金项目: 国家自然科学基金（批准号：11272006，11272297）和中物院发展基金（批准号：2014B0201018）资助的课题.

参考文献

[1]	Barker L M, Hollenbach R E 1974 J. Appl. Phys. 45 4872
[2]	Jensen B J, Gray Ⅲ G T, Hixson R S 2009 J. Appl. Phys. 105 103502
[3]	Chen Y T, Tang X J, Li Q Z 2011 Acta Phys. Sin. 60 046401 (in Chinese) [陈永涛, 唐小军, 李庆忠2011物理学报60 046401]
[4]	Gunkelmann N, Bringa E M, Kang K, Ackland G J, Ruestes C, Urbassek H M 2012 Phys. Rev. B 86 144111
[5]	Gunkelmann N, Bringa E M, Tramontina D R, Ruestes C J, Suggit M J, Higginbotham A, Wark J S, Urbassek H M 2014 Phys. Rev. B 89 140102
[6]	Gunkelmann N, Tramontina D R, Bringa E M, Urbassek H M 2015 J. Appl. Phys. 117 085901
[7]	Wang K, Xiao S, Deng H, Zhu W, Hu W 2014 Int. J. Plast. 59 180
[8]	Wang K, Zhu W, Xiao S, Chen K, Deng H, Hu W 2015 Int. J. Plast. 71 218
[9]	Kaul A M, Ivanovsky A V, Atchison W L, et al. 2014 J. Appl. Phys. 115 023516
[10]	Murr L E 1987 Metallurgical Effects of Shock and High-strain-rate Loading: Materials as High Strain Rates (Amsterdam: Elsevier) p34
[11]	Wang S J, Sui M L, Chen Y T, Lu Q H, Ma E, Pei X Y, Li Q Z, Hu H B 2013 Sci. Rep. 3 1086
[12]	Xiao B, Chen Y T, Sui M L 2015 J. Chin. Electr. Microsc. Soc. 34 401(in Chinese) [肖博, 陈永涛, 隋曼龄2015电子显微学报34 401]
[13]	Zhang S W, Liu C L, Li Q Z, Liu Q 2008 Chin. J. Theor. Appl. Mech. 40 535 (in Chinese) [张世文, 刘仓理, 李庆忠, 刘乔2008力学学报40 535]
[14]	Zhang S, Liu C, Ren G, Li Q 2015 Combust. Expl. Shock Waves 51 1
[15]	Plimpton S 1995 J. Compt. Phys. 117 1
[16]	Stukowski A 2000 Modell. Simul. Mater. Sci. Eng. 18 015012

施引文献

[1]	Barker L M, Hollenbach R E 1974 J. Appl. Phys. 45 4872
[2]	Jensen B J, Gray Ⅲ G T, Hixson R S 2009 J. Appl. Phys. 105 103502
[3]	Chen Y T, Tang X J, Li Q Z 2011 Acta Phys. Sin. 60 046401 (in Chinese) [陈永涛, 唐小军, 李庆忠2011物理学报60 046401]
[4]	Gunkelmann N, Bringa E M, Kang K, Ackland G J, Ruestes C, Urbassek H M 2012 Phys. Rev. B 86 144111
[5]	Gunkelmann N, Bringa E M, Tramontina D R, Ruestes C J, Suggit M J, Higginbotham A, Wark J S, Urbassek H M 2014 Phys. Rev. B 89 140102
[6]	Gunkelmann N, Tramontina D R, Bringa E M, Urbassek H M 2015 J. Appl. Phys. 117 085901
[7]	Wang K, Xiao S, Deng H, Zhu W, Hu W 2014 Int. J. Plast. 59 180
[8]	Wang K, Zhu W, Xiao S, Chen K, Deng H, Hu W 2015 Int. J. Plast. 71 218
[9]	Kaul A M, Ivanovsky A V, Atchison W L, et al. 2014 J. Appl. Phys. 115 023516
[10]	Murr L E 1987 Metallurgical Effects of Shock and High-strain-rate Loading: Materials as High Strain Rates (Amsterdam: Elsevier) p34
[11]	Wang S J, Sui M L, Chen Y T, Lu Q H, Ma E, Pei X Y, Li Q Z, Hu H B 2013 Sci. Rep. 3 1086
[12]	Xiao B, Chen Y T, Sui M L 2015 J. Chin. Electr. Microsc. Soc. 34 401(in Chinese) [肖博, 陈永涛, 隋曼龄2015电子显微学报34 401]
[13]	Zhang S W, Liu C L, Li Q Z, Liu Q 2008 Chin. J. Theor. Appl. Mech. 40 535 (in Chinese) [张世文, 刘仓理, 李庆忠, 刘乔2008力学学报40 535]
[14]	Zhang S, Liu C, Ren G, Li Q 2015 Combust. Expl. Shock Waves 51 1
[15]	Plimpton S 1995 J. Compt. Phys. 117 1
[16]	Stukowski A 2000 Modell. Simul. Mater. Sci. Eng. 18 015012

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预应力对多晶铁冲击行为影响的微观模拟研究

1. 中国工程物理研究院流体物理研究所, 绵阳 621999

通信作者: 陈永涛, 13404005190@163.com

基金项目:

国家自然科学基金（批准号：11272006，11272297）和中物院发展基金（批准号：2014B0201018）资助的课题.

收稿日期: 2016-04-06

修回日期: 2016-07-19

刊出日期: 2016-10-05

摘要: 冲击加载铁动力学响应是当前冲击波领域金属材料塑性和相变行为研究最为关注的焦点之一.本文采用分子动力学模拟方法开展预应力作用下冲击加载多晶铁的动力学行为研究.模拟结果表明，随着预应力的增加，导致弹塑转变应力（Hugoniot弹性极限）和冲击波速度提高，符合已有的理论分析结果.微观晶体结构表征则发现较大的预应力导致剪应力大于屈服应力，塑性弛豫时间缩短，加快多晶铁相转变.进一步通过与平面及柱壳纯铁冲击加载获得的自由面速度剖面对比分析，证实了模拟结果.

关键词:

预应力 /
多晶铁 /
塑性 /
相变

Influence of prestress on shock behavior of polycrystalline iron via atomistic simulations

1.
Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621999, China

Fund Project:

Projected supported by the National Science Foundation of China (Grant Nos. 11272006, 11272297) and the Science and Technology Foundation of China Academy of Engineering Physics (Grant No. 2014B0201018).

Received Date: 06 April 2016

Accepted Date: 19 July 2016

Published Online: 05 October 2016

Abstract: Plasticity behavior and phase transition of metal Fe subjected to shock loading have attracted considerable attention in shock physics community, in particular for underlying relationship between them. Experimental examinations and atomistic simulations on shocked Fe have displayed a three-wave structure: elastic wave, plastic wave and transformation wave. However, these studies are primarily limited to the one-dimensional planar case. Recently, owing to the rapid development of experimental techniques, investigating dynamic property of shocked metal has extended to the multi-dimensional loading conditions, such as cylindrical or spherical shocks. In this regard, fruitful findings are achieved, for example, twinning ratio in polycrystalline Fe under implosive compression is found to be much higher than that under planar shock, implying that the the complex stress state plays a critical role. In this paper, we explore the effects of prestress on plasticity and phase transition of shocked polycrystalline iron. The imposed presstress normal to the impact direction in one-dimensional planar shocking represents the varying deviatoric stress, and does not nearly affect the principal stress. The utilized empirical potential for iron could describe the plasticity dislocation and phase transition very well. The simulations show that as the prestress increases, the shock speed at elastic stage and Hugoniot elastic limit increase, which is in accordance with the theoretical analyses based on shock wave theory and experimental measurement. Meanwhile the plastic wave speed increases more quickly and catches up with the transformation wave more easily, resulting in a steep shockwave front. Atomistic snapshots show that plasticity dislocation stemming from the grain boundary precedes phase transition, where most of BCC atoms are transformed into the HCP atoms and shear stress significantly decreases. Further observations from these images find that plastic zone becomes narrower with increasing prestress, representing a shorter plastic relaxation time, which accelerates the completion of phase transition. This rapid phase transition process is also indicated by quantitatively evaluating the ratio of transitioned closed packed atoms as a function of evolution time. The origin based on the atomistical prediction model of Fe phase transition is attributed to the fact that higher prestress gives rise to the larger von-Mises stress for easier dislocation emission while lower one cannot. But the final transformed atoms are independent of prestress. Additionally, the measured free surface velocity profiles from planar and cylindrical impact loading validate the simulations conducted here. These findings will help to understand experimentally the microscopically dynamic evolution of Fe, imposed by complex stress state.

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