From kinetic theory to dissipative fluid dynamics

We present the results of deriving the Israel-Stewart equations of relativistic dissipative fluid dynamics from kinetic theory via Grad’s 14-moment expansion. Working consistently to second order in the Knudsen number, these equations contain several new terms which are absent in previous treatments.     

耗散粒子动力学GPU并行计算研究

研究了耗散粒子动力学基于计算统一设备架构的图形处理器(GPU)并行计算的实施.对其中涉及的算法映射模型、Cell-List法数组的并行化更新、随机数生成、存储器访问优化、负载平衡等进行了详细的讨论.进一步模拟了Poiseuille流动和突扩突缩流动,从而验证了GPU计算结果的正确性.计算结果表明,相对于基于中央处理器的串行计算,在耗散粒子动力学中实施GPU并行计算可以获得约20倍的加速比.     

带自由面流体的多体耗散粒子动力学模拟

利用多体耗散粒子动力学(MDPD)方法对介观尺度下液滴动力学进行了模拟分析,探讨了MDPD系统中液气共存界面的形成,并对表面张力进行了模拟研究,研究结果表明,MDPD方法形成的液气共存界面满足Laplace定律,通过改变不同的粒子间保守力作用参数,获得了液滴在固体壁面上不同的接触角,并研究了保守力作用参数与接触角之间的变化规律,进一步模拟了液滴在复杂微通道内的流动,研究结果有助于解释带自由面流体在粗糙表面上的运动行为。     

有结构壁面上液滴运动特征的耗散粒子动力学模拟

本文采用耗散粒子动力学方法, 研究了恒定外力驱动下液滴在有结构壁面上的运动过程. 通过研究液滴在通过壁面结构时前缘接触点和前进角的变化, 分析了液滴的运动特征. 研究结果表明, 在不同润湿性或不同外力驱动下, 存在使液滴运动最快的“最优”壁面结构, 并对其机理进行了讨论. 本文还探讨了壁面润湿性、热涨落以及外力对液滴运动状态的影响. 关键词： 微流体 有结构壁面 润湿性 耗散粒子动力学(DPD)     

Effect of shear on the symmetric diblock copolymer/nanorod mixture: A dissipative particle dynamics study

The phase behaviours of a lamellar diblock copolymer/nanorod composite under steady shear are investigated using dissipative particle dynamics.We consider a wide range of nanorod concentrations,where the nanorods each have a preferential affinity to one of the blocks.Our results suggest that shear not only aligns the orientations of the diblock copolymer templates and nanorods towards flow direction,but also regulates the distribution of the nanorods within the polymer matrix.Meanwhile,the shear-induced reorientation and morphology transitions of the systems also significantly depend on the nanorod concentration.At certain nanorod concentrations,the competitions between shearinduced polymer thinning and nanorods dispersion behaviours determine the phase behaviours of the composites.For high nanorod concentrations,no morphology transition is observed,but reorientation is present,in which the sheared nanorods are arranged into hexagonal packing arrays.Additionally,the orientation behaviour of nanorods is determined directly by the applied shear,also interfered with by the shear-stretched copolymer molecules.     

微粗糙结构表面液滴浸润特性的多体耗散粒子动力学研究

超疏水表面因其优异的自洁作用一直是表面科学领域关注的重点.本文使用多体耗散粒子动力学(many-body dissipative particle dynamics, MDPD)方法模拟研究了不同粗糙结构下液滴的浸润特性, 并与Cassie-Baxter理论进行了对比. 研究使用了一种具有长吸短斥作用的流固作用函数来获得不同的液滴浸润性, 并利用一种简洁的数值方法来测量接触角. 模拟结果表明本研究方法能够稳定地捕捉到液滴在粗糙表面的静态和动态特性. 模拟了粗糙结构对三相接触线运动的黏滞作用, 与物理实验结果相符合, 表明Cassie-Baxter理论在实际应用中尚存在一定局限性. 研究分析了在动态铺展过程中的能量转化关系, 并指出在低值表面容易引起液滴反弹.     

Modeling nonlinear dissipative chemical dynamics by a forced modified Van der Pol-Duffing oscillator with asymmetric potential: Chaotic behaviors predictions

This paper addresses the issues of nonlinear chemical dynamics modeled by a modified Van der Pol-Duffing oscillator with asymmetric potential. The Melnikov method is utilized to analytically determine the domains boundaries where Melnikov’s chaos appears in chemical oscillations. Routes to chaos are investigated through bifurcations structures, Lyapunov exponent, phase portraits and Poincaré section. The effects of parameters in general and in particular the effect of the constraint parameter β which shows the difference between a nonlinear chemical dynamics order two differential equation and ordinary Van der Pol-Duffing equation are analyzed. Results of analytical investigations are validated and complemented by numerical simulations.