密度和温度依赖的潜能:重新定义局部密度,以改善在通用散射粒子动力学中的液体模拟

Giuseppe Colella1, James P Larentzos2, Fernando Bresme3

  • 1Departament d'Enginyeria Química, ETSEQ, Universitat Rovira i Virgili, Tarragona 43007, Spain.

概括

一般化节能散射粒子动力学 (GenDPDE) 方法需要一个新的局部密度估计器来进行精确的液相模拟. 这种改进的方法可以防止粒子聚类,并确保系统达到正确的热力学状态.

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