液态锂在α-Fe (100)表面滑移特性的分子动力学研究
收稿日期: 2024-04-07
修回日期: 2024-05-09
网络出版日期: 2024-06-04
基金资助
国家自然科学基金(12172356);中国科学院青年交叉团队项目资助
Molecular dynamics study of slip properties of liquid lithium on α-Fe (100) surface
Received date: 2024-04-07
Revised date: 2024-05-09
Online published: 2024-06-04
采用分子动力学方法模拟液态Li在α-铁(Fe)纳米通道中的Couette流动,分析三角形表面粗糙单元对液态Li在α-Fe (100)表面滑移特性的影响。结果表明三角形两侧角度对滑移长度的影响并不显著,但是存在一个临界角度,当三角形两侧角度超过该临界值时,液态Li会在三角形前侧形成微尺度旋涡,显著增加流动阻力,进而引起滑移长度的突然大幅下降;三角形高度对滑移长度具有更加显著的影响,且同样存在一个临界高度,只有当三角形高度超过临界值时才会形成旋涡,否则无论如何改变三角形的角度都不会在三角形附近形成旋涡;温度对于临界角度和临界高度都有一定的影响,随着温度的升高,临界角度和高度都呈下降趋势。
屈怀远 , 余新刚 . 液态锂在α-Fe (100)表面滑移特性的分子动力学研究[J]. 中国科学院大学学报, 2026 , 43(4) : 471 -477 . DOI: 10.7523/j.ucas.2024.047
Liquid lithium (Li) has a wide range of applications in nuclear fusion test devices, but the slip characteristics of liquid Li on the surface of solid materials have not been fully studied. In this paper, the Couette flow of liquid Li in α-iron (Fe) nanochannels was simulated by the molecular dynamics method, and the effect of triangular roughness units on the slip characteristics of liquid Li on the α-Fe (100) surface was analyzed. The results show that the influence of the angle on both sides of the triangle on the slip length is not significant, but there is a critical angle, when the angle on both sides of the triangle exceeds the critical value, the liquid Li will form a microscale vortex on the front side of the triangle, which significantly increases the flow resistance, and then causes a sudden and large decrease in the slip length, the critical angle and the height show a downward trend. The height of the triangles has a more pronounced impact on slip length, and a similar critical height exists. Vortices only form when the height exceeds this critical value, regardless of changes to the angles. Temperature has a certain influence on these parameters. As temperature rises, both the critical angle and critical height decrease.
Key words: molecular dynamics; liquid lithium; Couette flow; slip length
| [1] | Federici G, Biel W, Gilbert M R, et al. European DEMO design strategy and consequences for materials[J]. Nuclear Fusion, 2017, 57(9): 092002. DOI: 10.1088/1741-4326/57/9/092002 . |
| [2] | Eich T, Sieglin B, Thornton A J, et al. ELM divertor peak energy fluence scaling to ITER with data from JET, MAST and ASDEX upgrade[J]. Nuclear Materials and Energy, 2017, 12: 84-90. DOI: 10.1016/j.nme.2017.04.014 . |
| [3] | You J H, Visca E, Bachmann C, et al. European DEMO divertor target: operational requirements and material-design interface[J]. Nuclear Materials and Energy, 2016, 9: 171-176. DOI: 10.1016/j.nme.2016.02.005 . |
| [4] | Hasegawa A, Fukuda M, Nogami S, et al. Neutron irradiation effects on tungsten materials[J]. Fusion Engineering and Design, 2014, 89(7/8): 1568-1572. DOI: 10.1016/j.fusengdes.2014.04.035 . |
| [5] | Yu X G, Gou F J, Tian X. Molecular dynamics study of the effect of hydrogen on the mechanical properties of tungsten[J]. Journal of Nuclear Materials, 2013, 441(1/2/3): 324-330. DOI: 10.1016/j.jnucmat.2013.06.018 . |
| [6] | 刘松畅, 余新刚. 单晶钨辐照损伤的分子动力学研究[J].中国科学院大学学报,2024,41(4):452-460.DOI: 10.7523/j.ucas.2022.087 . |
| [7] | Pitts R A, Bardin S, Bazylev B, et al. Physics conclusions in support of ITER W divertor monoblock shaping[J]. Nuclear Materials and Energy, 2017, 12: 60-74. DOI: 10.1016/j.nme.2017.03.005 . |
| [8] | You J H, Visca E, Barrett T, et al. European divertor target concepts for DEMO: design rationales and high heat flux performance[J]. Nuclear Materials and Energy, 2018, 16: 1-11. DOI: 10.1016/j.nme.2018.05.012 . |
| [9] | Kallenbach A, Bernert M, Dux R, et al. Impurity seeding for tokamak power exhaust: from present devices via ITER to DEMO[J]. Plasma Physics and Controlled Fusion, 2013, 55(12): 124041. DOI: 10.1088/0741-3335/55/12/124041 . |
| [10] | Li M Y, You J H. Design options to mitigate deep cracking of tungsten armor[J]. Fusion Engineering and Design, 2017, 124: 468-472. DOI: 10.1016/j.fusengdes.2017.01.015 . |
| [11] | 陈然, 王增辉, 倪明玖. 强磁场对导电流体热毛细流动和换热影响的实验研究[J]. 中国科学院大学学报, 2019, 36(1): 25-30. DOI: 10.7523/j.issn.2095-6134.2019.01.005 . |
| [12] | Wang H Y, Hu J S, Gao X, et al. Influence of Li and B coatings of metal walls on deuterium retention and plasma confinement in HT-7[J]. Nuclear Fusion, 2012, 52(10): 103002. DOI: 10.1088/0029-5515/52/10/103002 . |
| [13] | Zuo G Z, Hu J S, Zhen S, et al. Comparison of various wall conditionings on the reduction of H content and particle recycling in EAST[J]. Plasma Physics and Controlled Fusion, 2012, 54(1): 015014. DOI: 10.1088/0741-3335/54/1/015014 . |
| [14] | Kugel H W, Mansfield D, Maingi R, et al. Evaporated lithium surface coatings in NSTX[J]. Journal of Nuclear Materials, 2009, 390/391: 1000-1004. DOI: 10.1016/j.jnucmat.2009.01.262 . |
| [15] | Bell M G, Kugel H W, Kaita R, et al. Plasma response to lithium-coated plasma-facing components in the National Spherical Torus Experiment[J]. Plasma Physics and Controlled Fusion, 2009, 51(12): 124054. DOI: 10.1088/0741-3335/51/12/124054 . |
| [16] | Rindt P, Korving S Q, Morgan T W, et al. Performance of liquid-lithium-filled 3D-printed tungsten divertor targets under deuterium loading with ELM-like pulses in Magnum-PSI[J]. Nuclear Fusion, 2021, 61(6): 066026. DOI: 10.1088/1741-4326/abf854 . |
| [17] | Yamamoto Y, Kunugi T. Direct numerical simulation of liquid metal free-surface turbulent flows imposed on wall-normal magnetic field[J]. Fusion Engineering and Design, 2018, 136: 925-930. DOI: 10.1016/j.fusengdes.2018.04.041 . |
| [18] | Hoashi E, Yoshihashi-Suzuki S, Nanba H, et al. Numerical study on free surface flow of liquid metal lithium for IFMIF[J]. Fusion Engineering and Design, 2013, 88(9/10): 2515-2519. DOI: 10.1016/j.fusengdes.2013.05.059 . |
| [19] | Bühler L, Mistrangelo C, Najuch T. Magnetohydrodynamic flows in model porous structures[J]. Fusion Engineering and Design, 2015, 98: 1239-1243. DOI: 10.1016/j.fusengdes.2015.01.018 . |
| [20] | Khodak A, Maingi R. Modeling of liquid lithium flow in porous plasma facing material[J]. Nuclear Materials and Energy, 2021, 26: 100935. DOI: 10.1016/j.nme.2021.100935 . |
| [21] | Watts E T, Krim J, Widom A. Experimental observation of interfacial slippage at the boundary of molecularly thin films with gold substrates[J]. Physical Review B, 1990, 41(6): 3466-3472. DOI: 10.1103/physrevb.41.3466 . |
| [22] | Israelachvili J N. Measurement of the viscosity of liquids in very thin films[J]. Journal of Colloid and Interface Science, 1986, 110(1): 263-271. DOI: 10.1016/0021-9797(86)90376-0 . |
| [23] | Thompson P A, Robbins M O. Shear flow near solids: epitaxial order and flow boundary conditions[J]. Physical Review. A, Atomic, Molecular, and Optical Physics, 1990, 41(12): 6830-6837. DOI: 10.1103/physreva.41.6830 . |
| [24] | Zou C X, Sun X G, Xu C, et al. Wetting characteristics of lithium droplet on iron surfaces in atomic scale: a molecular dynamics simulation[J]. Computational Materials Science, 2018, 149: 435-441. DOI: 10.1016/j.commatsci.2018.03.058 . |
| [25] | Sun X G, Xiao S F, Deng H Q, et al. Molecular dynamics simulation of wetting behaviors of Li on W surfaces[J]. Fusion Engineering and Design, 2017, 117: 188-193. DOI: 10.1016/j.fusengdes.2016.06.037 . |
| [26] | Xu S, Fan X F, Gu C Z, et al. First principles and molecular dynamics study of Li wetting and diffusion on W surfaces[J]. Journal of Nuclear Materials, 2020, 539: 152345. DOI: 10.1016/j.jnucmat.2020.152345 . |
| [27] | Liu S C, Yu X G. Molecular dynamics study on the slippage of liquid lithium flow in tungsten nanochannels[J]. Nuclear Fusion, 2023, 63(3): 036007. DOI: 10.1088/1741-4326/acb27c . |
| [28] | Plimpton S. Fast parallel algorithms for short-range molecular dynamics[J]. Journal of Computational Physics, 1995, 117(1): 1-19. DOI: 10.1006/jcph.1995.1039 . |
| [29] | Liu S C, Yu X G, Zhang N M. An embedded-atom method interatomic potential for lithium-iron binary system and its applications in the liquid first wall system[J]. Journal of Nuclear Materials, 2024, 589: 154867. DOI: 10.1016/j.jnucmat.2023.154867 . |
| [30] | Ushigusa K, Seki M, Suganuma K, et al. Electron cyclotron resonance discharge cleaning by using LHRF system on JT-60U[J]. Fusion Engineering and Design, 1999, 45(2): 137-144. DOI: 10.1016/S0920-3796(99)00002-2 . |
| [31] | Ning R H, Li Y G, Zhou W H, et al. Modeling D retention in W under D ions and neutrons irradiation[J]. Journal of Nuclear Materials, 2012, 430(1/2/3): 20-26. DOI: 10.1016/j.jnucmat.2012.06.029 . |
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