Integral equations theory for two-dimensional systems involving nanoparticles*
作者： Małgorzata Borówko , Wojciech Rżysko , Stefan Sokołowski , Tomasz Staszewski
DOI: 10.1080/00268976.2016.1234079
关键词: Mathematical analysis 、 Molecular dynamics 、 Orthogonal functions 、 Physics 、 Integral equation 、 Series (mathematics) 、 Nanoparticle 、 Radial distribution 、 Computational chemistry
摘要: ABSTRACTWe employ integral equation approach to describe the angular-dependent correlation functions of two-dimensional systems selected model nanoparticles. The numerical calculations are performed without expanding into series orthogonal angles. We also propose reference-averaged Mayer potential calculate angular-independent radial distribution between results theoretical compared with molecular dynamics simulation data.
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