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摘要翻译：
我们给出的结果说明了对$R^{-6}$弥散项使用显式求和项对Lennard-Jones流体和SPC/E水的界面性质的影响。对于Lennard-Jones流体，我们发现使用长程求和，即使有较短的交叉半径，也能得到与使用大截止半径模拟相一致的结果。对SPC/E水的模拟表明，远距离弥散力比库仑力次要。在这两种情况下，我们发现盒尺寸$l_{parallel}$与交叉半径$r_{rm c}^{mathbf k}$的比值在决定长程色散校正的大小方面起着重要的作用，尽管当库仑相互作用也存在时，它的影响是次要的。
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英文标题：
《Application of Ewald summations to long-range dispersion forces》
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作者：
Pieter J. in 't Veld, Ahmed E. Ismail, and Gary S. Grest
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最新提交年份：
2007
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分类信息：
一级分类：Physics 物理学
二级分类：Materials Science 材料科学
分类描述：Techniques, synthesis, characterization, structure. Structural phase transitions, mechanical properties, phonons. Defects, adsorbates, interfaces
技术，合成，表征，结构。结构相变，力学性质，声子。缺陷，吸附质，界面
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一级分类：Physics 物理学
二级分类：Statistical Mechanics 统计力学
分类描述：Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变，热力学，场论，非平衡现象，重整化群和标度，可积模型，湍流
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英文摘要：
We present results illustrating the effects of using explicit summation terms for the $r^{-6}$ dispersion term on the interfacial properties of a Lennard-Jones fluid and SPC/E water. For the Lennard-Jones fluid, we find that the use of long-range summations, even with a short ``crossover radius,'' yields results that are consistent with simulations using large cutoff radii. Simulations of SPC/E water demonstrate that the long-range dispersion forces are of secondary importance to the Coulombic forces. In both cases, we find that the ratio of box size $L_{\parallel}$ to crossover radius $r_{\rm c}^{\mathbf k}$ plays an important role in determining the magnitude of the long-range dispersion correction, although its effect is secondary when Coulombic interactions are also present.
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PDF链接：
https://arxiv.org/pdf/704.0474
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