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二维非晶格系统中畴生长与老化的动力学

Kinetics of domain growth and aging in a two-dimensional off-lattice system.

作者信息

Midya Jiarul, Das Subir K

机构信息

Institute of Physics, Johannes Gutenberg University Mainz, Staudingerweg 7, 55128 Mainz, Germany.

Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur P.O., Bangalore 560064, India.

出版信息

Phys Rev E. 2020 Dec;102(6-1):062119. doi: 10.1103/PhysRevE.102.062119.

Abstract

We have used molecular dynamics simulations for a comprehensive study of phase separation in a two-dimensional single-component off-lattice model where particles interact through the Lennard-Jones potential. Via state-of-the-art methods we have analyzed simulation data on structure, growth, and aging for nonequilibrium evolutions in the model. These data were obtained following quenches of well-equilibrated homogeneous configurations, with density close to the critical value, to various temperatures inside the miscibility gap, having vapor-"liquid" as well as vapor-"solid" coexistence. For the vapor-liquid phase separation we observe that ℓ, the average domain length, grows with time (t) as t^{1/2}, a behavior that has connection with hydrodynamics. At low-enough temperature, a sharp crossover of this time dependence to a much slower, temperature-dependent, growth is identified within the timescale of our simulations, implying "solid"-like final state of the high-density phase. This crossover is, interestingly, accompanied by strong differences in domain morphology and other structural aspects between the two situations. For aging, we have presented results for the order-parameter autocorrelation function. This quantity exhibits data collapse with respect to ℓ/ℓ_{w}, ℓ, and ℓ_{w} being the average domain lengths at times t and t_{w} (≤t), respectively, the latter being the age of a system. Corresponding scaling function follows a power-law decay: ∼(ℓ/ℓ_{w})^{-λ} for t≫t_{w}. The decay exponent λ, for the vapor-liquid case, is accurately estimated via the application of an advanced finite-size scaling method. The obtained value is observed to satisfy a bound.

摘要

我们使用分子动力学模拟对二维单组分非晶格模型中的相分离进行了全面研究,其中粒子通过 Lennard-Jones 势相互作用。通过先进的方法,我们分析了该模型中非平衡演化的结构、生长和老化的模拟数据。这些数据是在将接近临界值密度的充分平衡的均匀构型骤冷到混溶间隙内的各种温度后获得的,存在汽-“液”以及汽-“固”共存情况。对于汽-液相分离,我们观察到平均畴长度 ℓ 随时间 (t) 按 t^{1/2} 增长,这种行为与流体动力学有关。在足够低的温度下,在我们的模拟时间尺度内确定了这种时间依赖性向更慢的、与温度相关的生长的急剧转变,这意味着高密度相的“固体”状最终状态。有趣的是,这种转变伴随着两种情况之间畴形态和其他结构方面的强烈差异。对于老化,我们给出了序参量自相关函数的结果。该量相对于 ℓ/ℓ_{w} 呈现数据塌缩,ℓ 和 ℓ_{w} 分别是时间 t 和 t_{w}(≤t)时的平均畴长度,后者是系统的年龄。相应的标度函数遵循幂律衰减:对于 t≫t_{w},~(ℓ/ℓ_{w})^{-λ}。对于汽-液情况,通过应用先进的有限尺寸标度方法准确估计了衰减指数 λ。观察到获得的值满足一个界限。

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