惯性约束聚变靶丸玻璃微观结构的分子动力学模拟

Molecular dynamic simulation of the microstructure of inertial confinement fusion glass target

使用分子动力学方法模拟惯性约束聚变(ICF)玻璃微球靶丸材料的碱金属硼硅酸盐玻璃,研究了不同SiO2与B2O3和不同Na2O与B2O3物质的量比的微观结构,包括键长、键角、配位数以及空穴的分布情况。通过模拟发现,在不同组分的碱金属硼硅酸盐玻璃中,硅原子的网络体结构相对稳定,硼原子的结构会随着成分的变化发生明显变化。同时,针对实际的ICF实验中对玻璃微球充入惰性气体氩的问题,模拟发现,当SiO2与B2O3物质的量比为40.5,Na2O与B2O3物质的量比为17.4,8.5,4.2时,玻璃中存在有较多的供氩扩散的空穴。

Alkali borosilicate glasses are used in inertial confinement fusion （ICF）as materials of hollow glass microspheres （HGMs）.In this work,classical molecular dynamic simulation was addressed to study this kind of glass.Then the microstruc-ture including bond lengths,bond angles,coordinate number and void sites distribution with different K （molar ratio of SiO 2 to B2 O 3 ）and R （molar ratio of Na2 O to B2 O 3 ）were gotten.After simulation,in the glass with different K and R,the network of silicate atoms keeps stable,and the network of boron atoms changes with the composition.At the same time,when we comes to the actual use of Ar-filled glass in the experiment of ICF,through simulation,if K is 40.5,R is 1 7.4,8.5,4.2,there are much more void sites in the glass for argon atoms to diffuse.