Molecular Dynamics Simulation of Tungsten Ablation under Transient Heat Flux

doi:10.13209/j.0479-8023.2015.015

›› 2015, Vol. 51 ›› Issue (4): 596-600.DOI: 10.13209/j.0479-8023.2015.015

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Molecular Dynamics Simulation of Tungsten Ablation under Transient Heat Flux

ZHU Yizhou;YAN Sha??;XUE Jianming;HE Shukai;ZHANG Boyao;WANG Yugang

State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871;

Received:2014-04-16 Revised:2014-09-26 Online:2015-07-20 Published:2015-07-20
About author:YAN Sha

暂态强热流作用下钨烧蚀过程的分子动力学模拟

朱一舟;颜莎;薛建明;贺书凯;张博尧;王宇钢

北京大学物理学院核物理与核技术国家重点实验室, 北京 100871;

作者简介:颜莎
基金资助:
国家重点基础研究发展计划(2010CB832902)和国际热核聚变实验反应堆(ITER)计划专项(2010GB109004)资助

Abstract

Abstract: The authors adopt molecular dynamics simulations to get a basic physical image of the tungsten ablation phenomenon induced by intense pulsed ions irradiation. A one-dimension heat transfer model is set up and a series of simulations with different pulse energy fluences are applied. Ablation threshold and ablation depth are calculated and compared with thermal dynamic theoretical values. Energy allocation condition of the simulation system are discussed, which depends on whether the pulse energy exceed ablation threshold. Based on the calculation results, the authors drew a preliminary profile of tungsten ablation under a transient high heat flux brought by energetic ions.

Key words: tungsten, molecular dynamics, ablation

摘要： 采用分子动力学方法, 对金属钨在由离子辐照引起的暂态热流下的烧蚀现象进行研究。建立一维热传模型, 通过施加不同能量的热脉冲, 研究钨靶材的热响应。计算烧蚀阈值并与理论值进行比较, 统计分析烧蚀深度与热脉冲能量的关系。研究热脉冲作用过程中能量的转移分配状况, 并对低于和高于烧蚀阈值下的不同能量分布状况进行讨论。从模拟的角度, 建立一个对钨在离子辐照下烧蚀过程的初步的物理图像。

关键词: 钨, 分子动力学, 烧蚀

CLC Number:

TG156

ZHU Yizhou;YAN Sha?;XUE Jianming;HE Shukai;ZHANG Boyao;WANG Yugang. Molecular Dynamics Simulation of Tungsten Ablation under Transient Heat Flux[J]. , 2015, 51(4): 596-600.

朱一舟;颜莎;薛建明;贺书凯;张博尧;王宇钢. 暂态强热流作用下钨烧蚀过程的分子动力学模拟[J]. 北京大学学报（自然科学版）, 2015, 51(4): 596-600.

References

[1] Davis J W, Barabash V R, Makhankov A, et al. Assessment of tungsten for use in the ITER plasma facing components. J Nucl Mater, 1998, 258: 308–312
[2] Roedig M, Kuehnlein W, Linke J, et al. Investigation of tungsten alloys as plasma facing materials for the ITER divertor. Fusion Eng Des, 2002, 61: 135–140
[3] Federici G, Andrew P, Barabaschi P, et al. Key ITER plasma edge and plasma-material interaction issues. J Nucl Mater, 2003, 313?316: 11–22
[4] Thoma A, Asmussen K, Dux R, et al. Spectroscopic measurements of tungsten erosion in the ASDEX upgrade divertor. Plasma Phys, 1997, 39: 1487–1499
[5] Mayer M, Andrzejczuk M, Dux R, et al. Tungsten erosion and redeposition in the all-tungsten divertor of ASDEX upgrade. Phys Scr, 2009, T138: 014039
[6] Brezinsek S, Kreter A, Philipps V, et al. Tungsten divertor erosion in all metal devices: lessons from the ITER like wall of JET. J Nucl Mater, 2013, 438: S42–S47
[7] Biersack J P, Haggmark L G. A Monte Carlo computer program for the transport of energetic ions in amorphous targets. Nucl Instruments Methods, 1980, 174(1): 257–269
[8] Zhang J, Lang M, Ewing R C, et al. Nanoscale phase transitions under extreme conditions within an ion track. J Mater Res, 2011, 25(7): 1344–1351
[9] Plimpton S. Fast parallel algorithms for short-range molecular dynamics. J Comput Phys, 1995, 117(1): 1–19
[10] Finnis M W, Sinclair J E. A simple empirical N-body potential for transition metals. Philos Mag A, 1984, 50(1): 45–55
[11] Baskes M. Modified embedded-atom potentials for cubic materials and impurities. Phys Rev B, 1992, 46(5): 2727–2742
[12] Dai X D, Kong Y, Li J H, et al. Extended Finnis- Sinclair potential for BCC and FCC metals and alloys. J Phys Condens Matter, 2006, 18(19): 4527–4542
[13] Ryu S, Cai W. Comparison of thermal properties predicted by interatomic potential models. Model Simul Mater Sci Eng, 2008, 16(8): 085005
[14] Liu C M, Chen X R, Xu C, et al. Melting curves and entropy of fusion of body-centered cubic tungsten under pressure. J Appl Phys, 2012, 112(1): 013518
[15] Byskov-Nielsen J, Savolainen J M, Christensen M S, et al. Ultra-short pulse laser ablation of copper, silver and tungsten: experimental data and two-temperature model simulations. Appl Phys A, 2011, 103(2): 447– 453
[16] Sonntag S, Paredes C T, Roth J, et al. Molecular dynamics simulations of cluster distribution from femtosecond laser ablation in aluminum. Appl Phys A, 2011, 104(2): 559–565

Molecular Dynamics Simulation of Tungsten Ablation under Transient Heat Flux

暂态强热流作用下钨烧蚀过程的分子动力学模拟

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