Multi-species dynamical density functional theory.

Multi-species dynamical density functional theory.
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多物种动力密度泛函理论。

DOI:
10.1063/1.4800109
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发表时间:
2013
期刊:
The Journal of chemical physics
影响因子:
--
通讯作者:
S. Kalliadasis
S. Kalliadasis
中科院分区:
--
文献类型:
--
作者:
B. Goddard;A. Nold;S. Kalliadasis

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研究了多组分胶体流体在全位置-动量相空间中的动力学行为。我们包括惯性和流体动力相互作用,这强烈影响系统的非平衡特性。在最小的假设下,我们推导出一个动力学密度泛函理论(DDFT),并使用一个有效的数值积分微分方程的谱方法的基础上,证明其良好的协议与完整的底层朗之万方程。我们利用的DDFT形式主义阐明多物种系统中的流体动力学相互作用的关键影响。
We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.
DOI: 10.1016/s0021-9290(02)00434-7
发表时间: 2003-03-01
影响因子: 2.4
作者:
Longest, PW;Kleinstreuer, C
通讯作者: Kleinstreuer, C