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摘要翻译：
我们介绍了耗散粒子动力学(DPD)恒温器的一种变化，它允许控制分子流体的输运性质。标准的DPD恒温器只作用于沿原子间轴的相对速度。我们的扩展包括相对速度的垂直分量的阻尼，但保持了守恒Galilei不变性的优点，并且在我们的误差棒内也保持了流体力学。这导致了第二个摩擦参数，用于调整系统的输运性质。对简单的Lennard-Jones流体和液态水的数值模拟表明，粘度等输运性质对新摩擦参数的强度非常敏感。我们设想新的恒温器将对软物质的粗粒度和自适应分辨率模拟非常有用，与全原子模拟相比，粗粒度模型的扩散系数和粘度通常分别太高/太低。
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英文标题：
《Transport properties controlled by a thermostat: An extended dissipative
particle dynamics thermostat》
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作者：
Christoph Junghans, Matej Praprotnik and Kurt Kremer
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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：Soft Condensed Matter 软凝聚态物质
分类描述：Membranes, polymers, liquid crystals, glasses, colloids, granular matter
膜，聚合物，液晶，玻璃，胶体，颗粒物质
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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 introduce a variation of the dissipative particle dynamics (DPD) thermostat that allows for controlling transport properties of molecular fluids. The standard DPD thermostat acts only on a relative velocity along the interatomic axis. Our extension includes the damping of the perpendicular components of the relative velocity, yet keeping the advantages of conserving Galilei invariance and within our error bar also hydrodynamics. This leads to a second friction parameter for tuning the transport properties of the system. Numerical simulations of a simple Lennard-Jones fluid and liquid water demonstrate a very sensitive behaviour of the transport properties, e.g., viscosity, on the strength of the new friction parameter. We envisage that the new thermostat will be very useful for the coarse-grained and adaptive resolution simulations of soft matter, where the diffusion constants and viscosity of the coarse-grained models are typically too high/low, respectively, compared to all-atom simulations.
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PDF链接：
https://arxiv.org/pdf/709.0276
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