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Approximation and Characteristic Times in Precipitation Modelling

机译:降水建模中的近似和特征时间

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A new approximation to the equations describing Classical Nucleation and Growth Theories, is proposed providing quick, and intuitive insight. It gives a prediction of the mean precipitate radius and number density development under quasi-isothermal conditions. Current “mean-radius”, and “multi-class” approaches to modelling classical nucleation and growth theory for precipitation, require considerable computation times. An analytical approximation is proposed to solve the equations, and its results are compared to numerical simulations for quasi-isothermal precipitation. From the approximation a start and end time for the nucleation stage is predicted, as well as a time at which growth occurs and when the coarsening stage starts. Ultimately, these times, outline the numerical solution to the precipitation trajectory, providing key insight before performing numerical simulations. This insight can be used to more efficiently simulate precipitate development, as time scales at which the various stages in precipitate development occur can be predicted for individual precipitates. When these time scales are known a numerical simulation can be used for a specific goal, for instance to only simulate nucleation and growth, thus saving computational time. Moreover, for a first indication of the precipitate development in a composition under a particular heat treatment a numerical simulation is no longer necessary. This is also useful for process control as consequences of changes in treatment can be assessed on-line. Using these approximate analytical results an estimate can be made for the matrix concentration of precipitate forming elements. Additionally some dimensionless parameters are established to provide intuitive details to the precipitation trajectory.
机译:提出了一种新的近似于描述古典成核和生长理论的方程,提供快速,直观的洞察力。它给出了准等温条件下的平均沉淀半径和数密度开发的预测。电流“平均半径”和“多级”方法以建模古典成核和增长理论的降水,需要相当大的计算时间。提出了一种分析近似来解决方程,其结果与准等温沉淀的数值模拟进行了比较。从近似,预测成核阶段的开始和结束时间,以及在粗化阶段开始时发生生长的时间。最终,这些时间概述了降水轨迹的数值解决方案,在执行数值模拟之前提供关键洞察力。这种洞察力可以用于更有效地模拟沉淀显影,因为可以预测各个沉淀的沉淀发育中的各个阶段的时间尺度。当已知这些时间尺度时,数值模拟可以用于特定目标,例如仅模拟成核和生长,从而节省计算时间。此外,对于在特定热处理下的组合物中的沉淀萌发的第一指示,不再需要数值模拟。由于可以在线评估治疗的变化的后果,这对于过程控制也是有用的。使用这些近似分析结果可以对沉淀成形元素的基质浓度进行估计。另外,建立一些无量纲参数,以提供沉淀轨迹的直观细节。

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