钨中氦泡融合条件的分子动力学模拟研究

Molecular Dynamics Study of Helium Bubble Coalescence in Tungsten

  • 摘要: 在托卡马克聚变装置中,钨偏滤器会受到低能高束流的氦等离子体冲刷,导致材料表面形成绒毛状纳米结构或针孔状表面损伤,使钨材料使用性能发生退化,影响等离子体的稳态运行。目前普遍认为,氦致表面损伤的形成与钨表面下氦泡的生长密切相关。钨受到氦等离子体辐照后会在材料的近表层形成高密度的小氦泡,它们可通过融合的方式长大,氦泡的融合是近表层大氦泡形成的关键环节。为了解氦泡的相对位置、温度、氦空位比(He/V)、氦泡初始间距对氦泡融合的影响,本文采用分子动力学方法模拟氦泡在金属钨中的融合过程。结果表明:氦泡的相对位置、温度、He/V、氦泡初始间距都会影响氦泡的融合,但影响的机理并不相同。其中,氦泡的相对位置是影响氦泡融合的关键因素,当氦泡沿〈100〉方向排列时,氦泡易发生融合,而沿 〈111〉方向排列则不易发生融合,其原因是氦泡附近存在各向异性的应力场。温度升高有利于氦泡体积得到更快、更充分的弛豫,进而促进氦泡发生融合。高He/V的氦泡具有较高的压力,更易发生融合。当温度为1 500 K时,2个He/V为3、半径为1 nm的氦泡之间的相互作用距离可达1.28 nm甚至更远,但它们发生融合的最大初始距离为0.96 nm。本研究可促进对钨中氦泡融合机理的理解,为钨中大氦泡的形成提供可能的解释。此外,本研究结果可为大尺度模拟(如动力学蒙特卡罗、团簇动力学)提供相关输入参数用于研究高密度氦泡的长时间演化。

     

    Abstract: In Tokamak fusion devices, tungsten divertor will be bombarded with low-energy high-flux helium ions, resulting in the formation of fuzzy nanostructures or pinhole-like surface damage on tungsten surface, which degrades the tungsten material properties and affects the steady-state operation of the plasma. It is now generally accepted that helium-induced surface damages are closely related to the formation and growth of helium bubbles under the tungsten surface. After helium irradiation, tungsten will form a high density of small helium bubbles near surface. The coalescence of helium bubbles is one of the major ways for the formation of large helium bubbles. In order to understand the effects of relative position, temperature, He/V and initial spacing of helium bubbles on helium bubble fusion, molecular dynamics method was used to simulate the fusion process of helium bubbles in tungsten. The results show that the coalescence of the helium bubbles is affected by the relative positions of the helium bubbles, the temperature, the helium-to-vacancy ratio (He/V), and the distance between helium bubbles, but the influence mechanism is not the same. Specifically, the relative position of the helium bubbles is the key factor affecting the coalescence of the helium bubbles. When the helium bubbles are arranged along the 〈100〉 direction, they tend to coalesce. In contrast, when they are arranged along the 〈111〉 direction, coalescence is not easy to happen. This is because there is an anisotropic stress field near the helium bubbles. The higher the temperature is, the faster and more sufficient relaxation of the helium bubbles will be obtained, resulting in promoted coalescence. Helium bubbles with higher He/V have higher pressure, so they are more likely to coalesce. When the temperature is 1 500 K, the maximum distance of coalescence is 0.96 nm for two helium bubbles with a radius of 1 nm and a He/V of 3, while the interaction distance between them can reach 1.28 nm or more. This study can promote the understanding of the coalescence mechanism of helium bubbles in tungsten and provide a possible explanation for the formation of large helium bubbles in tungsten. In addition, the results of this study can provide relevant input parameters for large-scale simulations (such as kinetic Monte Carlo, cluster dynamics) to study the long-time evolution of high-density helium bubbles.

     

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