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
-
Semi‐implicit method of high‐index saddle dynamics and application to construct solution landscape
Luo, Yue | Zhang, Lei | Zhang, Pingwen | Zhang, Zhiyi | Zheng, XiangchengNumerical Methods for Partial Differential Equations, Vol. 40 (2024), Iss. 6
https://doi.org/10.1002/num.23123 [Citations: 0] -
Phase‐Field Simulations of the Morphology Formation in Evaporating Crystalline Multicomponent Films
Ronsin, Olivier J. J. | Harting, JensAdvanced Theory and Simulations, Vol. 5 (2022), Iss. 10
https://doi.org/10.1002/adts.202200286 [Citations: 9] -
Discretization and index-robust error analysis for constrained high-index saddle dynamics on the high-dimensional sphere
Zhang, Lei | Zhang, Pingwen | Zheng, XiangchengScience China Mathematics, Vol. 66 (2023), Iss. 10 P.2347
https://doi.org/10.1007/s11425-022-2149-2 [Citations: 5] -
Error Estimates for Euler Discretization of High-Index Saddle Dynamics
Zhang, Lei | Zhang, Pingwen | Zheng, XiangchengSIAM Journal on Numerical Analysis, Vol. 60 (2022), Iss. 5 P.2925
https://doi.org/10.1137/21M1458314 [Citations: 10] -
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, WeiModelling and Simulation in Materials Science and Engineering, Vol. 25 (2017), Iss. 6 P.065007
https://doi.org/10.1088/1361-651X/aa7197 [Citations: 10] -
Searching the solution landscape by generalized high-index saddle dynamics
Yin, Jianyuan | Yu, Bing | Zhang, LeiScience China Mathematics, Vol. 64 (2021), Iss. 8 P.1801
https://doi.org/10.1007/s11425-020-1737-1 [Citations: 23] -
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, Wei2018
https://doi.org/10.1007/978-981-13-0158-2_10 [Citations: 0] -
High-Index Optimization-Based Shrinking Dimer Method for Finding High-Index Saddle Points
Yin, Jianyuan | Zhang, Lei | Zhang, PingwenSIAM Journal on Scientific Computing, Vol. 41 (2019), Iss. 6 P.A3576
https://doi.org/10.1137/19M1253356 [Citations: 40] -
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, WeiModelling and Simulation in Materials Science and Engineering, Vol. 25 (2017), Iss. 8 P.085006
https://doi.org/10.1088/1361-651X/aa8eb9 [Citations: 8] -
Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing
Li, Yulan | Hu, Shenyang | Zhang, Lei | Sun, XinModelling 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] -
Computational Materials System Design
Phase Field Modeling of Microstructural Evolution
DeWitt, Stephen | Thornton, Katsuyo2018
https://doi.org/10.1007/978-3-319-68280-8_4 [Citations: 6] -
Optimization-based Shrinking Dimer Method for Finding Transition States
Zhang, Lei | Du, Qiang | Zheng, ZhenzhenSIAM Journal on Scientific Computing, Vol. 38 (2016), Iss. 1 P.A528
https://doi.org/10.1137/140972676 [Citations: 29] -
Constrained shrinking dimer dynamics for saddle point search with constraints
Zhang, Jingyan | Du, QiangJournal of Computational Physics, Vol. 231 (2012), Iss. 14 P.4745
https://doi.org/10.1016/j.jcp.2012.03.006 [Citations: 21] -
A model-free shrinking-dimer saddle dynamics for finding saddle point and solution landscape
Zhang, Lei | Zhang, Pingwen | Zheng, XiangchengJapan Journal of Industrial and Applied Mathematics, Vol. 40 (2023), Iss. 3 P.1677
https://doi.org/10.1007/s13160-023-00604-8 [Citations: 2] -
Error Estimate for Semi-implicit Method of Sphere-Constrained High-Index Saddle Dynamics
Zhang, Lei | Zhang, Pingwen | Zheng, XiangchengChinese Annals of Mathematics, Series B, Vol. 44 (2023), Iss. 5 P.765
https://doi.org/10.1007/s11401-023-0043-8 [Citations: 0] -
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] -
Finding Critical Nuclei in Phase Transformations by Shrinking Dimer Dynamics and its Variants
Zhang, Lei | Zhang, Jingyan | Du, QiangCommunications in Computational Physics, Vol. 16 (2014), Iss. 3 P.781
https://doi.org/10.4208/cicp.250913.240314a [Citations: 5] -
Phase-Field Modeling of Nucleation in Solid-State Phase Transformations
Heo, Tae Wook | Chen, Long-QingJOM, Vol. 66 (2014), Iss. 8 P.1520
https://doi.org/10.1007/s11837-014-1033-9 [Citations: 33] -
Incorporating diffuse-interface nuclei in phase-field simulations
Heo, Tae Wook | Zhang, Lei | Du, Qiang | Chen, Long-QingScripta Materialia, Vol. 63 (2010), Iss. 1 P.8
https://doi.org/10.1016/j.scriptamat.2010.02.028 [Citations: 32] -
A review on the modeling and simulations of solid-state diffusional phase transformations in metals and alloys
Liu, Xueyan | Li, Hongwei | Zhan, MeiManufacturing Review, Vol. 5 (2018), Iss. P.10
https://doi.org/10.1051/mfreview/2018008 [Citations: 8] -
Precipitation kinetics of ordered γ′ phase and microstructure evolution in a Ni Al alloy
Wu, Xingchao | Li, Yongsheng | Huang, Mengqiong | Liu, Wei | Hou, ZhiyuanMaterials Chemistry and Physics, Vol. 182 (2016), Iss. P.125
https://doi.org/10.1016/j.matchemphys.2016.07.013 [Citations: 34] -
Diffuse-interface approach to predicting morphologies of critical nucleus and equilibrium structure for cubic to tetragonal transformations
Zhang, Lei | Chen, Long-Qing | Du, QiangJournal of Computational Physics, Vol. 229 (2010), Iss. 18 P.6574
https://doi.org/10.1016/j.jcp.2010.05.013 [Citations: 16] -
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] -
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, WeiJournal of Nuclear Materials, Vol. 507 (2018), Iss. P.59
https://doi.org/10.1016/j.jnucmat.2018.04.018 [Citations: 14] -
Parareal in Time Simulation Of Morphological Transformation in Cubic Alloys with Spatially Dependent Composition
He, Li-Ping | He, MinxinCommunications in Computational Physics, Vol. 11 (2012), Iss. 5 P.1697
https://doi.org/10.4208/cicp.110310.090911a [Citations: 6] -
Recent developments in computational modelling of nucleation in phase transformations
Zhang, Lei | Ren, Weiqing | Samanta, Amit | Du, Qiangnpj Computational Materials, Vol. 2 (2016), Iss. 1
https://doi.org/10.1038/npjcompumats.2016.3 [Citations: 37]