Magyar Péter, Donkó Zoltán, Kalman Gabor J, Golden Kenneth I
Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, H-1121 Budapest, Konkoly-Thege Miklós Street 29-33, Hungary.
Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, H-1121 Budapest, Konkoly-Thege Miklós Street 29-33, Hungary and Department of Physics, Boston College, Chestnut Hill, Massachusetts 02467, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Aug;90(2):023102. doi: 10.1103/PhysRevE.90.023102. Epub 2014 Aug 11.
We compute linear and quadratic static density response functions of three-dimensional Yukawa liquids by applying an external perturbation potential in molecular dynamics simulations. The response functions are also obtained from the equilibrium fluctuations (static structure factors) in the system via the fluctuation-dissipation theorems. The good agreement of the quadratic response functions, obtained in the two different ways, confirms the quadratic fluctuation-dissipation theorem. We also find that the three-point structure function may be factorizable into two-point structure functions, leading to a cluster representation of the equilibrium triplet correlation function.
我们通过在分子动力学模拟中施加外部微扰势来计算三维 Yukawa 液体的线性和二次静态密度响应函数。响应函数也可通过涨落耗散定理从系统中的平衡涨落(静态结构因子)获得。以两种不同方式得到的二次响应函数的良好一致性证实了二次涨落耗散定理。我们还发现,三点结构函数可分解为两点结构函数,从而得到平衡三重关联函数的团簇表示。