封闭系统中扩散的质量保持模型

IF 1.7 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Journal of Phase Equilibria and Diffusion Pub Date : 2025-02-01 DOI:10.1007/s11669-025-01174-7
Dmitri V. Malakhov
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引用次数: 0

摘要

在两端施加零通量边界条件的情况下,系统中组分的数量不会因为其中的一维扩散而改变。通过适当选择的时间步长,Crank-Nicolson方案可以可靠地跟踪初始离散浓度曲线的时间演变,但不能保证连续变化的浓度与位置曲线下面积的不变性。在这项工作中,提出了一种启发式但数学上合理的技术,将“常数积分”要求纳入Crank-Nicolson方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Mass-Preserving Modeling of Diffusion in a Closed System

With zero-flux boundary conditions imposed at both ends, amounts of components in a system cannot change as a result of a unidimensional diffusion in it. With appropriately chosen time steps, the Crank-Nicolson scheme can dependably track a temporal evolution of an initial discrete concentration profile, but an invariance of an area below a continuously changing concentration vs. position curve is not guaranteed. In this work, a heuristic yet mathematically sound technique of incorporating a "constant integral" requirement into the Crank-Nicolson method is proposed.

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来源期刊
Journal of Phase Equilibria and Diffusion
Journal of Phase Equilibria and Diffusion 工程技术-材料科学:综合
CiteScore
2.50
自引率
7.10%
发文量
70
审稿时长
1 months
期刊介绍: The most trusted journal for phase equilibria and thermodynamic research, ASM International''s Journal of Phase Equilibria and Diffusion features critical phase diagram evaluations on scientifically and industrially important alloy systems, authored by international experts. The Journal of Phase Equilibria and Diffusion is critically reviewed and contains basic and applied research results, a survey of current literature and other pertinent articles. The journal covers the significance of diagrams as well as new research techniques, equipment, data evaluation, nomenclature, presentation and other aspects of phase diagram preparation and use. Content includes information on phenomena such as kinetic control of equilibrium, coherency effects, impurity effects, and thermodynamic and crystallographic characteristics. The journal updates systems previously published in the Bulletin of Alloy Phase Diagrams as new data are discovered.
期刊最新文献
The Journal of Phase Equilibria and Diffusion Editor’s Choice Awards for 2025 Journal of Phase Equilibria and Diffusion Awards First John E. Morral Best Paper Award Application of Third-Generation CALPHAD to Elemental Hf, Binary Reassessments and Prediction of the Ternary Hf–Nb–Zr System Quantitative Analysis of Diffusion Equation When Diffusivity is Given as Function of Concentration Journal of Phase Equilibria and Diffusion Names New Deputy Editor
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