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Condensed Matter > Materials Science

arXiv:2407.00781 (cond-mat)
[Submitted on 30 Jun 2024 ]

Title: A simple model for short-range ordering kinetics in multi-principal element alloys

Title: 多主元合金中短程有序动力学的简单模型

Authors:Anas Abu-Odeh, Bin Xing, Penghui Cao, Blas Pedro Uberuaga, Mark Asta
Abstract: Short-range ordering (SRO) in multi-principal element alloys influences material properties such as strength and corrosion. While some degree of SRO is expected at equilibrium, predicting the kinetics of its formation is challenging. We present a simplified isothermal concentration-wave (CW) model to estimate an effective relaxation time of SRO formation. Estimates from the CW model agree to within a factor of five with relaxation times obtained from kinetic Monte Carlo (kMC) simulations when above the highest ordering instability temperature. The advantage of the CW model is that it only requires mobility and thermodynamic parameters, which are readily obtained from alloy mobility databases and Metropolis Monte Carlo simulations, respectively. The simple parameterization of the CW model and its analytical nature make it an attractive tool for the design of processing conditions to promote or suppress SRO in multicomponent alloys.
Abstract: 短程有序(SRO)在多主元合金中影响材料性能,如强度和腐蚀性。 虽然在平衡状态下预期存在一定程度的SRO,但预测其形成的动力学过程具有挑战性。 我们提出了一种简化的等温浓度波(CW)模型,以估算SRO形成的有效弛豫时间。 当温度高于最高有序不稳定性温度时,从CW模型得到的估计值与通过动力学蒙特卡罗(kMC)模拟获得的弛豫时间相符,误差不超过五倍。 CW模型的优势在于它只需要迁移率和热力学参数,这些参数分别可以从合金迁移率数据库和Metropolis蒙特卡罗模拟中轻松获得。 CW模型的简单参数化及其解析性质使其成为设计加工条件以促进或抑制多组分合金中SRO的有吸引力的工具。
Comments: 12 pages, 4 figures, 2 tables
Subjects: Materials Science (cond-mat.mtrl-sci)
Cite as: arXiv:2407.00781 [cond-mat.mtrl-sci]
  (or arXiv:2407.00781v1 [cond-mat.mtrl-sci] for this version)
  https://doi.org/10.48550/arXiv.2407.00781
arXiv-issued DOI via DataCite
Journal reference: Scripta Materialia, Volume 252, 2024, 116224
Related DOI: https://doi.org/10.1016/j.scriptamat.2024.116224
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Submission history

From: Anas Abu-Odeh [view email]
[v1] Sun, 30 Jun 2024 17:51:03 UTC (3,506 KB)
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