为了能够在关于氦的分子动力学的模拟中准确地使用其势函数,并确定其量纲1分子间相互作用力,通过对比分析可用于氦的势函数的数学形式和使用条件,指出虽然标准Lennard-Jones(LJ-12-6)势函数的物理意义清晰、形式简化、应用广泛,但对于氦而言,分子间的排斥力不再适宜采用原子中心间距r的-12次方的形式,而更适合采用指数形式的排斥项。在具有指数形式排斥项的势函数中,EXP-6势函数较好地反映了液氦原子间的多体相互作用,其吸引项是van der Waals吸引力的主要组成部分;Bruch-McGee组合半经验势函数多具有分段函数的形式,在模拟过程中转变为分子间作用力的过程和最终的形式较复杂;而Tang-Toennies势函数更适合于描述低密度氦气的性质。通过将势函数的物理参数量纲1化,确定量纲1分子间相互作用力,目的是可以在随后的分子动力学模拟中依使用条件采用。
The temperature rise of He Ⅱ transfer system due to the negative Joule-Thomson(JT)effect is one of the major problems in the He Ⅱ forced flow system design.Negative Joule-Thomson effect of the He Ⅱ forced flow was analyzed and calculated in this paper.The temperature rise due to the heat leak along the transfer pipeline was calculated by the simplified equation and was modified by considering the negative Joule-Thomson effect.The modified results were compared with the temperature rise obtained by non-linear differential equations with consideration of the pressure gradient.The results show that the pressure gradient has strong effect on the temperature distribution.The modified results are in good agreement with the values calculated by the complicated equation,which verifies the effectiveness of the simplified equation in calculating the temperature rise when the negative JT effect of He Ⅱ is known.
