纳米W粉冲击烧结的分子动力学模拟

刘晓雯; 冯建锐; 周强; 陈鹏万

doi:10.11883/bzycj-2019-0057

纳米W粉冲击烧结的分子动力学模拟

doi: 10.11883/bzycj-2019-0057

北京理工大学爆炸科学与技术国家重点实验室，北京 100081

详细信息

作者简介:
刘晓雯（1993－　），女，硕士研究生，m13419519852@163.com

通讯作者:
陈鹏万（1971－　），男，博士，教授，pwchen@bit.edu.cn

中图分类号: O383
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- 文章访问数: 5347
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- 被引次数: 0
出版历程
- 收稿日期: 2019-02-27
- 修回日期: 2019-04-04
- 网络出版日期: 2020-01-15
- 刊出日期: 2020-02-01

Molecular dynamics simulation of shock consolidation of nano tungsten powder

State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China

摘要

摘要: 粉末冲击烧结是制备高品质W的一种有效方法，而分子动力学方法在尺度极小、过程迅速的数值模拟上有着独特的优势。因此运用分子动力学方法，结合W的嵌入原子势，对常温下的纳米W粉末的冲击烧结过程进行模拟，得到颗粒微观压实过程图、体系速度分布云图、p-U_p、T-U_p、T-p曲线以及径向分布函数。研究了不同颗粒速度及产生的射流对纳米W粉末冲击烧结影响，分析了微观冲击烧结机理。结果表明，低速冲击条件下（500 m/s以下），纳米颗粒无法压实。高速条件下（1 000 m/s及以上），颗粒能获得致密化很高的压实。颗粒间的相互挤压造成的高应力使颗粒表面的原子发生流动变形，原子向颗粒间空隙流动，形成压实。颗粒间产生的射流以及高速冲击导致的颗粒熔化，均促进烧结获得致密度更高的烧结体。
- 冲击烧结 /
- 纳米W粉 /
- 分子动力学 /
- 压实机理
Abstract: Shock consolidation of powders is an effective method for fabrication of the high quality tungsten, and molecular dynamics simulation has unique advantages in modelling the rapid process at atomic-scale. In this work, the shock consolidation of nano tungsten powders at room temperature was studied by molecular dynamics using the embedded atomic potential of tungsten. The morphology of the compressed particles, distribution of particle velocity, p-U_p, T-U_p, T-p curves and radial distribution function were investigated to analyze the effects of particle velocity and jets on the shock consolidation. The mechanism of consolidation was also proposed at micro-scale. The results showed that the nanoparticles could not be compacted to full density at a relatively low impact velocity (＜500 m/s), while a good densification could be achieved at high impact velocity (＞1 000 m/s); the high pressure due to the extrusion between particles leads to flow and deformation on the surface of the particle. The voids among the particles were filled by the flowing atoms, leading to densification. Particles were melted during the impacts by adjacent particle and jet, which promotes the sintering between particles.
- shock consolidation /
- nano tungsten powder /
- molecular dynamics /
- consolidation mechanism

HTML全文

图 1 图名模型示意图

Figure 1. Model illustration

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图 2 压实形貌图

Figure 2. Compacted topography

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图 3 1 000 m/s颗粒速度下的冲击压实过程

Figure 3. Impact compaction process at 1 000 m/s particle velocity

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图 4 不同的速度下的原子径向分布函数

Figure 4. Radial distribution functions at different velocities

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图 5 温度-速度关系

Figure 5. Relationship between temperature and particle velocity

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图 6 压力-速度关系

Figure 6. Relationship between pressure and particle velocity

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图 7 温度-压力关系

Figure 7. Relationship between temperature and pressure

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图 8 不同颗粒速度下体系的速度分布

Figure 8. Velocity distribution of the system at different particle velocities

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图 9 模型2压实形貌图

Figure 9. Compaction topograph of model 2

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参考文献(29)

韩勇, 范景莲, 刘涛, 等. 高密度纯钨的低温活化烧结工艺及其致密化行为 [J]. 稀有金属材料与工程, 2012, 41(7): 1273–1278. DOI: 10.3969/j.issn.1002-185X.2012.07.032.

HAN Y, FAN J L, LIU T, et al. Low-temperature activated sintering technology of high-density pure tungsten and its densification behavior [J]. Rare Metal Materials and Engineering, 2012, 41(7): 1273–1278. DOI: 10.3969/j.issn.1002-185X.2012.07.032.

MARQUIS F D S, MAHAJAN A, MAMALIIS A G. Shock synthesis and densification of tungsten based heavy alloys [J]. Journal of Materials Processing Tech, 2005, 161(1–2): 113–120. DOI: 10.1016/j.jmatprotec.2004.07.060.

PEIKRISHVILI A, GODIBADZE B, CHAGELISHIVILI E, et al. Hot explosive consolidation of nanostructured tungsten-sliver precursors [J]. European Chemical Bulletin, 2015, 4(1–3): 37–42. DOI: http://dx.doi.org/10.17628/ecb.2015.4.37-42.

ZHOU Q, CHEN P. Fabrication and characterization of pure tungsten using the hot-shock consolidation [J]. International Journal of Refractory Metals and Hard Materials, 2014, 42(1): 215–220. DOI: 10.1016/j.ijrmhm.2013.09.008.

DAI C, EAKINS D, THADHANI N, et al. Shock compression response of nanoiron powder compact [J]. Applied Physics Letters, 2007, 90(7): 39. DOI: 10.1063/1.2695522.

XU J, SAKANOI R, HIGUCHI Y, et al. Molecular dynamics simulation of Ni nanoparticles sintering process in Ni/YSZ multi-nanoparticle system [J]. The Journal of Physical Chemistry C, 2013, 117(19): 9663–9672. DOI: 10.1021/jp310920d.

ZOHOOR M, MEHDIPOOR A. Numerical simulation of under water explosive compaction process for compaction of tungsten powder [J]. Materials Science Forum, 2008, 566(49): 77–82. DOI: 10.4028/www.scientific.net/MSF.566.77.

ZOHOOR M, MEHDIPOOR A. Explosive compaction of tungsten powder using a converging under water shock wave [J]. Journal of Materials Processing Technology, 2009, 209(8): 4201–4206. DOI: 10.1016/j.jmatprotec.2008.11.031.

DAI K D, CHEN P W. Numerical simulation of the shock compaction of W/Cu powders [J]. Materials Science Forum, 2011, 673: 113–118. DOI: 10.4028/www.scientific.net/MSF.673.113.

EMELCHENKO G A, NAUMENKO I G, VERETENNIKOV V A, et al. Shock consolidation of nanopowdered Ni [J]. Materials Science and Engineering A, 2009, 503(1–2): 55–57. DOI: 10.1016/j.msea.2008.01.097.

GODIBADZE B, DGEBUADZE A, CHAGELISHVILI E, et al. Dynamic consolidation and investigation of nanostructural W-Cu/W-Y cylindrical billets [J]. Journal of Physics: Conference Series, 2018, 987(1). DOI: 10.1088/1742-6596/987/1/012027.

DING L, DAVIDCHACK R L, PAN J. A molecular dynamics study of sintering between nanoparticles [J]. Computational Materials Science, 2009, 45(2): 247–256. DOI: 10.1016/j.commatsci.2008.09.021.

ZHOU X W, JOHNSON R A, WADLEY H N G. Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers [J]. Physical Review B, 2004, 69(14): 1124–1133. DOI: 10.1103/PhysRevB.69.144113.

ZHAO X, WANG S Q, ZHANG C B. Kinetics investigation of sintering of nanometer size metal clusters: a molecular dynamics study [J]. Journal of Materials Science and Technology, 2006, 22(1): 123–126. DOI: 10.3321/j.issn:1005-0302.2006.01.020.

SONG P, WEN D. Molecular dynamics simulation of the sintering of metallic nanoparticles [J]. Journal of Nanoparticle Research, 2010, 12(3): 823–829. DOI: 10.1007/s11051-009-9718-7.

KADAU K, ENTEL P, LOMDAHL P S. Molecular-dynamics study of martensitic transformations in sintered Fe-Ni nanoparticles [J]. Computer Physics Communications, 2002, 147(1–2): 126–129. DOI: 10.1016/S0010-4655(02)00230-8.

ZHU H L. Sintering processes of two nanoparticles: a study by molecular dynamics simulations [J]. Philosophical Magazine Letters, 1996, 73(1): 27–33. DOI: 10.1080/095008396181073.

TAVAKOL M, MAHNAMA M, NAGHDABADI R. Shock wave sintering of Al/SiC metal matrix nano-composites: a molecular dynamics study [J]. Computational Materials Science, 2016, 125: 255–262. DOI: 10.1016/j.commatsci.2016.08.032.

ARCIDIACONO S, BIERI N R, POULIKAKOS D, et al. On the coalescence of gold nanoparticles [J]. International Journal of Multiphase Flow, 2004, 30(7): 979–994.

HENZ B J, HAWA T, ZACHARIAH M. Molecular dynamics simulation of the energetic reaction between Ni and Al nanoparticles [J]. Journal of Applied Physics, 2009, 105(12): 124310. DOI: 10.1063/1.3073988.

HENZ B J, HAWA T, ZACHARIAH M. Molecular dynamics simulation of the kinetic sintering of Ni and Al nanoparticles [J]. Molecular Simulation, 2009, 35(10-11): 804–811. DOI: 10.1080/08927020902818021.

GUNKELMANN N, ROSANDI Y, RUESTES C J, et al. Compaction and plasticity in nanofoams induced by shock waves: a molecular dynamics study [J]. Computational Materials Science, 2016, 119: 27–32. DOI: 10.1016/j.commatsci.2016.03.035.

CHENG B, NGAN A H W. The sintering and densification behaviour of many copper nanoparticles: a molecular dynamics study [J]. Computational Materials Science, 2013, 74(74): 1–11. DOI: 10.1016/j.commatsci.2013.03.014.

KART H H, WANG G, KARAMAN I. Molecular dynamics study of the coalescence of equal and unequal sized Cu nanoparticales [J]. International Journal of Modern Physics C, 2009, 20(2): 179–196. DOI: 10.1142/S0129183109013534.

CHEN L, FAN J L, GONG H R. Phase transition and mechanical properties of tungsten nanomaterials from molecular dynamic simulation [J]. Journal of Nanoparticle Research, 2017, 19(3): 118. DOI: 10.1007/s11051-017-3812-z.

YOUSEFI M, KHOIE M M. Molecular dynamics simulation of Ni/Cu-Ni nanoparticles sintering under various crystallographic, thermodynamic and multi-nanoparticles conditions [J]. European Physical Journal D, 2015, 69(3): 71. DOI: 10.1140/epjd/e2015-50830-4.

何安民. 金属铜冲击熔化机制与动力学特性微观模拟研究[D]. 四川绵阳: 中国工程物理研究院, 2014.

于超, 任会兰, 宁建国. 钨合金冲击塑性行为的分子动力学模拟 [J]. 高压物理学报, 2013, 27(2): 211–215. DOI: 10.11858/gywlxb.2013.02.007.

YU C, REN H L, NING J G. Molecular dynamics simulation on shock plasticity behavior of tungsten alloy [J]. Chinese Journal of High Pressure Physics, 2013, 27(2): 211–215. DOI: 10.11858/gywlxb.2013.02.007.

于超. 穿甲弹用钨合金的冲击实验与纳观力学机理模拟研究[D]. 北京: 北京理工大学, 2015.

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