Simultaneous Prediction of Morphologies of a Critical Nucleus and an Equilibrium Precipitate in Solids

Simultaneous Prediction of Morphologies of a Critical Nucleus and an Equilibrium Precipitate in Solids

Year:    2010

Communications in Computational Physics, Vol. 7 (2010), Iss. 4 : pp. 674–682

Abstract

We investigate the critical nucleus and equilibrium morphologies during precipitation of a second-phase particle in a solid. We show that a combination of diffuse-interface description and a constrained string method is able to predict both the critical nucleus and equilibrium precipitate morphologies simultaneously without a priori assumptions. Using the cubic to cubic transformation as an example, it is demonstrated that the maximum composition within a critical nucleus can be either higher or lower than that of equilibrium precipitate while the morphology of an equilibrium precipitate may exhibit lower symmetry than the critical nucleus resulted from elastic interactions.

You do not have full access to this article.

Already a Subscriber? Sign in as an individual or via your institution

Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicp.2009.09.099

Communications in Computational Physics, Vol. 7 (2010), Iss. 4 : pp. 674–682

Published online:    2010-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    9

Keywords:   

  1. Semi‐implicit method of high‐index saddle dynamics and application to construct solution landscape

    Luo, Yue | Zhang, Lei | Zhang, Pingwen | Zhang, Zhiyi | Zheng, Xiangcheng

    Numerical Methods for Partial Differential Equations, Vol. 40 (2024), Iss. 6

    https://doi.org/10.1002/num.23123 [Citations: 0]
  2. Phase‐Field Simulations of the Morphology Formation in Evaporating Crystalline Multicomponent Films

    Ronsin, Olivier J. J. | Harting, Jens

    Advanced Theory and Simulations, Vol. 5 (2022), Iss. 10

    https://doi.org/10.1002/adts.202200286 [Citations: 9]
  3. Discretization and index-robust error analysis for constrained high-index saddle dynamics on the high-dimensional sphere

    Zhang, Lei | Zhang, Pingwen | Zheng, Xiangcheng

    Science China Mathematics, Vol. 66 (2023), Iss. 10 P.2347

    https://doi.org/10.1007/s11425-022-2149-2 [Citations: 5]
  4. Error Estimates for Euler Discretization of High-Index Saddle Dynamics

    Zhang, Lei | Zhang, Pingwen | Zheng, Xiangcheng

    SIAM Journal on Numerical Analysis, Vol. 60 (2022), Iss. 5 P.2925

    https://doi.org/10.1137/21M1458314 [Citations: 10]
  5. Simulations of irradiated-enhanced segregation and phase separation in Fe–Cu–Mn alloys

    Li, Boyan | Hu, Shenyang | Li, Chengliang | Li, Qiulin | Chen, Jun | Shu, Guogang | Henager, Chuck | Weng, Yuqing | Xu, Ben | Liu, Wei

    Modelling and Simulation in Materials Science and Engineering, Vol. 25 (2017), Iss. 6 P.065007

    https://doi.org/10.1088/1361-651X/aa7197 [Citations: 10]
  6. Searching the solution landscape by generalized high-index saddle dynamics

    Yin, Jianyuan | Yu, Bing | Zhang, Lei

    Science China Mathematics, Vol. 64 (2021), Iss. 8 P.1801

    https://doi.org/10.1007/s11425-020-1737-1 [Citations: 23]
  7. Advances in Energy and Environmental Materials

    Simulations of Ion Irradiation Induced Segregation in RPV Model Alloys

    Li, Boyan | Xu, Ben | Hu, Shenyang | Li, Chengliang | Li, Qiulin | Chen, Jun | Shu, Guogang | Weng, Yuqing | Liu, Wei

    2018

    https://doi.org/10.1007/978-981-13-0158-2_10 [Citations: 0]
  8. High-Index Optimization-Based Shrinking Dimer Method for Finding High-Index Saddle Points

    Yin, Jianyuan | Zhang, Lei | Zhang, Pingwen

    SIAM Journal on Scientific Computing, Vol. 41 (2019), Iss. 6 P.A3576

    https://doi.org/10.1137/19M1253356 [Citations: 40]
  9. Finding non-classical critical nuclei and minimum energy path of Cu precipitates in Fe–Cu alloys

    Li, Boyan | Zhang, Lei | Li, Chengliang | Li, Qiulin | Chen, Jun | Shu, Guogang | Weng, Yuqing | Xu, Ben | Liu, Wei

    Modelling and Simulation in Materials Science and Engineering, Vol. 25 (2017), Iss. 8 P.085006

    https://doi.org/10.1088/1361-651X/aa8eb9 [Citations: 8]
  10. Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing

    Li, Yulan | Hu, Shenyang | Zhang, Lei | Sun, Xin

    Modelling and Simulation in Materials Science and Engineering, Vol. 22 (2014), Iss. 2 P.025002

    https://doi.org/10.1088/0965-0393/22/2/025002 [Citations: 20]
  11. Computational Materials System Design

    Phase Field Modeling of Microstructural Evolution

    DeWitt, Stephen | Thornton, Katsuyo

    2018

    https://doi.org/10.1007/978-3-319-68280-8_4 [Citations: 6]
  12. Optimization-based Shrinking Dimer Method for Finding Transition States

    Zhang, Lei | Du, Qiang | Zheng, Zhenzhen

    SIAM Journal on Scientific Computing, Vol. 38 (2016), Iss. 1 P.A528

    https://doi.org/10.1137/140972676 [Citations: 29]
  13. Constrained shrinking dimer dynamics for saddle point search with constraints

    Zhang, Jingyan | Du, Qiang

    Journal of Computational Physics, Vol. 231 (2012), Iss. 14 P.4745

    https://doi.org/10.1016/j.jcp.2012.03.006 [Citations: 21]
  14. A model-free shrinking-dimer saddle dynamics for finding saddle point and solution landscape

    Zhang, Lei | Zhang, Pingwen | Zheng, Xiangcheng

    Japan Journal of Industrial and Applied Mathematics, Vol. 40 (2023), Iss. 3 P.1677

    https://doi.org/10.1007/s13160-023-00604-8 [Citations: 2]
  15. Error Estimate for Semi-implicit Method of Sphere-Constrained High-Index Saddle Dynamics

    Zhang, Lei | Zhang, Pingwen | Zheng, Xiangcheng

    Chinese Annals of Mathematics, Series B, Vol. 44 (2023), Iss. 5 P.765

    https://doi.org/10.1007/s11401-023-0043-8 [Citations: 0]
  16. Nucleation and growth model for {110}- and {111}-truncated nanoparticles

    Jones, Nicholas J. | Swaminathan, Raja | McHenry, Michael E. | Laughlin, David E.

    Journal of Materials Research, Vol. 30 (2015), Iss. 20 P.3011

    https://doi.org/10.1557/jmr.2015.270 [Citations: 6]
  17. Finding Critical Nuclei in Phase Transformations by Shrinking Dimer Dynamics and its Variants

    Zhang, Lei | Zhang, Jingyan | Du, Qiang

    Communications in Computational Physics, Vol. 16 (2014), Iss. 3 P.781

    https://doi.org/10.4208/cicp.250913.240314a [Citations: 5]
  18. Phase-Field Modeling of Nucleation in Solid-State Phase Transformations

    Heo, Tae Wook | Chen, Long-Qing

    JOM, Vol. 66 (2014), Iss. 8 P.1520

    https://doi.org/10.1007/s11837-014-1033-9 [Citations: 33]
  19. Incorporating diffuse-interface nuclei in phase-field simulations

    Heo, Tae Wook | Zhang, Lei | Du, Qiang | Chen, Long-Qing

    Scripta Materialia, Vol. 63 (2010), Iss. 1 P.8

    https://doi.org/10.1016/j.scriptamat.2010.02.028 [Citations: 32]
  20. A review on the modeling and simulations of solid-state diffusional phase transformations in metals and alloys

    Liu, Xueyan | Li, Hongwei | Zhan, Mei

    Manufacturing Review, Vol. 5 (2018), Iss. P.10

    https://doi.org/10.1051/mfreview/2018008 [Citations: 8]
  21. Precipitation kinetics of ordered γ′ phase and microstructure evolution in a Ni Al alloy

    Wu, Xingchao | Li, Yongsheng | Huang, Mengqiong | Liu, Wei | Hou, Zhiyuan

    Materials Chemistry and Physics, Vol. 182 (2016), Iss. P.125

    https://doi.org/10.1016/j.matchemphys.2016.07.013 [Citations: 34]
  22. Diffuse-interface approach to predicting morphologies of critical nucleus and equilibrium structure for cubic to tetragonal transformations

    Zhang, Lei | Chen, Long-Qing | Du, Qiang

    Journal of Computational Physics, Vol. 229 (2010), Iss. 18 P.6574

    https://doi.org/10.1016/j.jcp.2010.05.013 [Citations: 16]
  23. Computer simulation of heterogeneous nucleation on curved surfaces using a simplified string method combined with phase-field simulations

    Hörstermann, H. | Kundin, J. | Emmerich, H.

    The European Physical Journal Special Topics, Vol. 223 (2014), Iss. 3 P.481

    https://doi.org/10.1140/epjst/e2014-02104-4 [Citations: 3]
  24. The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys

    Li, Boyan | Zhang, Lei | Li, Chengliang | Li, Qiulin | Chen, Jun | Shu, Guogang | Weng, Yuqing | Xu, Ben | Hu, Shenyang | Liu, Wei

    Journal of Nuclear Materials, Vol. 507 (2018), Iss. P.59

    https://doi.org/10.1016/j.jnucmat.2018.04.018 [Citations: 14]
  25. Parareal in Time Simulation Of Morphological Transformation in Cubic Alloys with Spatially Dependent Composition

    He, Li-Ping | He, Minxin

    Communications in Computational Physics, Vol. 11 (2012), Iss. 5 P.1697

    https://doi.org/10.4208/cicp.110310.090911a [Citations: 6]
  26. Recent developments in computational modelling of nucleation in phase transformations

    Zhang, Lei | Ren, Weiqing | Samanta, Amit | Du, Qiang

    npj Computational Materials, Vol. 2 (2016), Iss. 1

    https://doi.org/10.1038/npjcompumats.2016.3 [Citations: 37]