摘要翻译：
在这项工作中，我们比较和表征了朗之万恒温器和耗散粒子动力学(DPD)恒温器在聚合物体系的广泛非平衡模拟中的行为。以相对滑动运动的聚合物刷、Poiseuille和Couette流动中的聚合物液体以及刷-熔体界面为模型系统，分析了不同朗之万和DPD恒温器实现的效率和局限性。采用广泛使用的粗颗粒珠簧模型在良好和不良溶剂条件下对恒温器的效果进行了评估。我们考虑了平衡、瞬态和稳态的例子，以测试恒温器保持恒温和在非平衡情况下再现潜在物理现象的能力。在流动方向上关闭朗之万恒温器的常见做法也被批判性地重新讨论。定量分析了DPD恒温器不同权函数的效率与溶剂质量和非平衡状态的关系。
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英文标题：
《Comparison of Dissipative Particle Dynamics and Langevin thermostats for
  out-of-equilibrium simulations of polymeric systems》
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作者：
C. Pastorino, T. Kreer, M. Mueller and K. Binder
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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：
  In this work we compare and characterize the behavior of Langevin and Dissipative Particle Dynamics (DPD) thermostats in a broad range of non-equilibrium simulations of polymeric systems. Polymer brushes in relative sliding motion, polymeric liquids in Poiseuille and Couette flows, and brush-melt interfaces are used as model systems to analyze the efficiency and limitations of different Langevin and DPD thermostat implementations. Widely used coarse-grained bead-spring models under good and poor solvent conditions are employed to assess the effects of the thermostats. We considered equilibrium, transient, and steady state examples for testing the ability of the thermostats to maintain constant temperature and to reproduce the underlying physical phenomena in non-equilibrium situations. The common practice of switching-off the Langevin thermostat in the flow direction is also critically revisited. The efficiency of different weight functions for the DPD thermostat is quantitatively analyzed as a function of the solvent quality and the non-equilibrium situation.
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PDF链接：
https://arxiv.org/pdf/704.2624