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arXiv 2610.05436cond-mat.mtrl-sci

一种尺度分离的全场单极子方法用于析出建模

A Scale-Separated Full-Field Monopole Method for Precipitation Modelling

C. W. Sinclair

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中文总结 AI 辅助

提出尺度分离单极子方法,结合准静态与瞬态扩散,实现析出全场预测,应用于Al-Sc揭示局部析出抑制形核并导致空间不均匀性。

中文摘要 AI 辅助

开发了一种尺度分离的单极子方法,用于在粒子尺度扩散场与更大距离上的溶质变化共存条件下进行析出的全场预测。析出物由单极子格林函数解表示,提供了相互作用的粒子生长和溶解的基于粒子的描述。直接准静态公式通过与瞬态有限差分计算和常规Kampmann-Wagner数值模型进行验证,但在空间异质粒子群体产生缓慢弛豫的长波长浓度场时变得不适用。因此,采用Ewald分解按空间尺度分离扩散场。屏蔽的粒子尺度场以准静态方式处理,而互补的长程场通过瞬态扩散演化。所得到的混合公式保留了显式的粒子级析出动力学,同时允许介观尺度溶质再分布在其物理时间尺度上演化。应用于Al-Sc表明,由局部析出产生的瞬态耗尽场可以抑制后续形核,并产生析出物数密度和体积分数的持久空间变化。

英文摘要

A scale-separated monopole method is developed for full-field prediction of precipitation under conditions where particle-scale diffusion fields coexist with solute variations over much larger distances. Precipitates are represented by monopole Green's-function solutions, providing a particle-based description of interacting particle growth and dissolution. The direct quasistatic formulation is validated against transient finite-difference calculations and a conventional Kampmann--Wagner numerical model, but becomes inappropriate when spatially heterogeneous particle populations generate slowly relaxing long-wavelength concentration fields. An Ewald decomposition is therefore used to separate the diffusion field by spatial scale. Screened particle-scale fields are treated quasistatically, while the complementary long-range field evolves by transient diffusion. The resulting hybrid formulation retains explicit particle-level precipitation kinetics while allowing mesoscale solute redistribution to evolve on its physical timescale. Application to Al--Sc demonstrates that a transient depletion field generated by localized precipitation can suppress subsequent nucleation and produce persistent spatial variations in precipitate number density and volume fraction.

发表机构

  • The University of British Columbia(不列颠哥伦比亚大学)

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