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Nonequilibrium dynamics and fluctuation-dissipation relation in a sheared fluid

机译:剪切流体的非平衡动力学和涨落-耗散关系

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The nonequilibrium dynamics of a binary Lennard-Jones mixture in a simple shear flow is investigated by means of molecular dynamics simulations. The range of temperature T investigated covers both the liquid, supercooled, and glassy states, while the shear rate #gamma# covers both the linear and nonlinear regimes of rheology. The results can be interpreted in the context of a nonequilibrium, schematic mode-coupling theory developed recently, which makes the theory applicable to a wide range of soft glassy materials. The behavior of the viscosity #eta#(T, #gamma#) is first investigated. In the nonlinear regime, strong shear-thinning is obtained, #eta# approx #gamma#~(-#alpha#(T), with a #alpha#(T) approx = 2/3 in the supercooled regime. Scaling properties of the intermediate scattering functions are studied. Standard "mode-coupling properties" of factorization and time superposition hold in this nonequilibrium situation. The fluctuation-dissipation relation is violated in the shear flow in a way very similar to that predicted theoretically, allowing for the definition of an effective temperature T_eff for the slow modes of the fluid. Temperature and shear rate dependencies of T_eff are studied using density fluctuations as an observable. The observable dependence of T_eff is also investigated. Many different observable are found to lead to the same value of T_eff, suggesting several experimental procedures to access to T_eff. It is proposed that a tracer particle of large mass m_tr may play the role of an "effective thermometer." When the Einstein frequency of the tracers becomes smaller than the inverse relaxation time of the fluid, a nonequilibrium equipartition theorem holds with
机译:通过分子动力学模拟研究了二元Lennard-Jones混合物在简单剪切流中的非平衡动力学。研究的温度T的范围涵盖了液态,过冷和玻璃态,而剪切速率#γ#涵盖了流变的线性和非线性范围。可以在最近开发的非平衡,示意性模式耦合理论的背景下解释结果,这使该理论适用于各种软玻璃材料。首先研究粘度#eta#(T,#γ#)的行为。在非线性状态下,可获得强剪切稀化度,即#eta#近似#gamma#〜(-#alpha#(T),而在过冷状态下#alpha#(T)近似= 2/3。研究了中间散射函数,在这种非平衡情况下保持了分解和时间叠加的标准“模式耦合特性”,在剪切流中违反了波动-耗散关系的方式与理论上的预测非常相似,因此可以定义有效温度T_eff对慢速流体模式的影响,以密度波动作为可观测值研究了温度和剪切速率的依存关系,还研究了T_eff的可观测依存关系,发现许多不同的可观测值导致相同的T_eff值。 T_eff,提出了几种访问T_eff的实验程序,提出了质量为m_tr的示踪剂粒子可能会起到“有效温度计”的作用。当cers变得小于流体的逆弛豫时间时,一个非平衡等分定理成立,

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