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Molecular dynamics study on the slippage of liquid lithium flow in tungsten nanochannels

S. Liu, X. Yu2023年Nuclear FusionIF 3出版社

As the use of liquid lithium (Li) as the plasma facing material in a fusion device becomes widespread, more and more research work has been dedicated to the numerical simulations of Li flow based on the Navier–Stokes equations. However, the slip condition of Li on a solid surface hasn't been fully understood. The most common and simplest boundary condition, which is no-slip, is just one of the allowable conditions ranging from pure slip to multilayer locking. In this work, molecular dynamics simulations of the Couette flow were performed to investigate the slip properties of liquid Li on tungsten (W) surfaces. The atomic structures near the surfaces were inspected. The influence of temperature, lattice orientation and biaxial strain of wall surfaces, as well as the surface roughness, were discussed. It was found that the slip length is always negative suggesting that the wall always retards the movement of liquid Li. Among all the factors, surface roughness has the most significant effects on the slippage. Two sectional linear relationships between the slip length and the height of the roughness elements were discovered. As the height of roughness elements reaches a critical point, micro vortexes begin to form and change the slope of the linear relationship.

日本語訳

核融合装置のプラズマ対向材料として液体リチウム (Li) の使用が広まるにつれて、ナビエ–ストークス方程式に基づくLi流れの数値シミュレーションに費やされる研究がますます多くなっている。しかしながら、固体表面上におけるLiの滑り条件は完全には理解されていない。最も一般的で最も単純な境界条件である滑りなしは、完全滑りから多層ロッキングに及ぶ許容条件のうちの一つに過ぎない。本研究では、液体Liのタングステン (W) 表面上での滑り特性を調査するために、クエット流れの分子動力学シミュレーションを実施した。表面近傍の原子構造を調べた。温度、壁表面の結晶方位と二軸ひずみ、ならびに表面粗さの影響について考察した。滑り長さは常に負であり、壁が常に液体Liの移動を遅らせることが示された。すべての因子の中で、表面粗さが滑りに最も顕著な影響を及ぼす。滑り長さと粗さ要素の高さとの間に、2つの区分的線形関係が発見された。粗さ要素の高さが臨界点に達すると、微小渦が形成され始め、線形関係の傾きが変化する。

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TungstenLithiumLiquid lithiumMolecular dynamics
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