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含弹性应变能的各向异性相场模型的指数时间差分方法 被引量:2
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作者 王姗姗 张鉴 《数据与计算发展前沿》 2020年第3期113-125,共13页
【目的】材料微结构中界面能异性和弹性应变能是产生各向异性的主要因素,本文主要研究含弹性应变能的各向异性相场模型的紧致指数时间差分方法。【方法】在紧致指数时间差分方法框架下引入了界面能异性和弹性应变能的计算,将界面能异性... 【目的】材料微结构中界面能异性和弹性应变能是产生各向异性的主要因素,本文主要研究含弹性应变能的各向异性相场模型的紧致指数时间差分方法。【方法】在紧致指数时间差分方法框架下引入了界面能异性和弹性应变能的计算,将界面能异性和弹性应变能归于指数时间差分方法的非线性项统一处理,为二者设计了算子分裂格式。【结果】从数学上证明了算子分裂格式能够保证能量稳定,并进行了镍基合金以及Zr的氢化物的材料腐蚀相场模型的数值实验,验证了含弹性应变能的各向异性相场模型的指数时间差分方法的能量稳定性。【局限】本文仅得到了指数时间差分方法的一阶和二阶求解格式,更高阶的求解格式有待进一步探索。【结论】设计了能量稳定的含弹性应变能的各向异性相场模型的指数时间差分方法。 展开更多
关键词 相场模型 紧致指数时间差分方法 界面能异性 弹性应变能
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Phase field model for strong interfacial energy anisotropy of HCP materials 被引量:4
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作者 袁训锋 刘宝盈 +2 位作者 李春 周春生 丁雨田 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2014年第9期2911-2919,共9页
Based on the Karma model and the Eggleston regularization technique of the strong interfacial energy anisotropy, a phase-field model was established for HCP materials. An explicit finite difference numerical method wa... Based on the Karma model and the Eggleston regularization technique of the strong interfacial energy anisotropy, a phase-field model was established for HCP materials. An explicit finite difference numerical method was used to solve phase field model and simulate the dendrite growth behaviors of HCP materials. Results indicate that the dendrite morphology presents obvious six-fold symmetry, and discontinuity in the variation of interface orientation occurs, resulting in a fact that the corners were formed at the tips of the main stem and side branches. When the interfacial energy anisotropy strength is lower than the critical value(1/35), the steady-state tip velocity of dendrite increases with anisotropy as expected. As the anisotropy strength crosses the critical value, the steady-state tip velocity drops down by about 0.89%. With further increase in anisotropy strength, the steady-state tip velocity increases and reaches the maximum value at anisotropy strength of 0.04, then decreases. 展开更多
关键词 phase field dendrite growth interfacial energy anisotropy strength HCP materials
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Simulation of facet dendrite growth with strong interfacial energy anisotropy by phase field method 被引量:3
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作者 袁训锋 刘宝盈 +2 位作者 李春 周春生 丁雨田 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第3期855-861,共7页
Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the ... Numerical simulations based on a new regularized phase-field model were presented, to simulate the solidification of hexagonal close-packed materials with strong interfacial energy anisotropies. Results show that the crystal grows into facet dendrites,displaying six-fold symmetry. The size of initial crystals has an effect on the branching-off of the principal branch tip along the<100> direction, which is eliminated by setting the b/a(a and b are the semi-major and semi-minor sizes in the initial elliptical crystals, respectively) value to be less than or equal to 1. With an increase in the undercooling value, the equilibrium morphology of the crystal changes from a star-like shape to facet dendrites without side branches. The steady-state tip velocity increases exponentially when the dimensionless undercooling is below the critical value. With a further increase in the undercooling value, the equilibrium morphology of the crystal grows into a developed side-branch structure, and the steady-state tip velocity of the facet dendrites increases linearly. The facet dendrite growth has controlled diffusion and kinetics. 展开更多
关键词 phase field facet dendrite hcp materials interfacial energy anisotropy dimensionless undercooling
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High-performance planar heterojunction perovskite solar cells: Preserving long charge carrier diffusion lengths and interracial engineering 被引量:15
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作者 Sai Bai Zhongwei Wu +10 位作者 Xiaojing Wu Yizheng Jin Ni Zhao Zhihui Chen Qingqing Mei Xin Wang Zhizhen Ye Tao Song Ruiyuan Liu Shuit-tong Lee Baoquan Sun 《Nano Research》 SCIE EI CAS CSCD 2014年第12期1749-1758,共10页
We demonstrate that charge carrier diffusion lengths of two classes of perovskites, CH3NH3PbI3-xClx and CH3NH3PbI3, are both highly sensitive to film processing conditions and optimal processing procedures are critica... We demonstrate that charge carrier diffusion lengths of two classes of perovskites, CH3NH3PbI3-xClx and CH3NH3PbI3, are both highly sensitive to film processing conditions and optimal processing procedures are critical to preserving the long carrier diffusion lengths of the perovskite films. This understanding, together with the improved cathode interface using bilayer-structured electron transporting interlayers of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM)/ZnO, leads to the successful fabrication of highly efficient, stable and reproducible planar heterojunction CH3NH3PbI3-xCl2 solar cells with impressive power-conversion efficiencies (PCEs) up to 15.9%. A 1-square-centimeter device yielding a PCE of 12.3% has been realized, demonstrating that this simple planar structure is promising for large-area devices. 展开更多
关键词 perovskite solar cells planar heterojunction charge carrier diffusion lengths ZnO nanocrystal films large area devices
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