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Cu-2.0Fe合金等温处理过程中富Fe析出相的形态演变
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作者 陈凯旋 李宗烜 +5 位作者 王自东 Gilles Demange 陈晓华 张佳伟 吴雪华 helena zapolsky 《金属学报》 SCIE EI CAS CSCD 北大核心 2023年第12期1665-1674,共10页
研究了Cu-2.0Fe(质量分数,%)合金中富Fe析出相形态的演变行为及其与等温温度和保温时间的关系。结果表明,Cu-2.0Fe合金在Fe相fcc温区内的924、964和984℃保温时,富Fe相粗化并伴随着球状(纳米级)→立方状(亚微米级)→四分支花瓣状(亚微米... 研究了Cu-2.0Fe(质量分数,%)合金中富Fe析出相形态的演变行为及其与等温温度和保温时间的关系。结果表明,Cu-2.0Fe合金在Fe相fcc温区内的924、964和984℃保温时,富Fe相粗化并伴随着球状(纳米级)→立方状(亚微米级)→四分支花瓣状(亚微米级)→多分支花瓣状(微米级)的形态演变。随着等温温度和保温时间的增加,多分支花瓣状颗粒的尺寸逐步增大,分支数量逐步增加。多分支花瓣状颗粒的长大需要吞噬周边的小颗粒,导致温度升高时纳米~亚微米级富Fe颗粒的数量密度下降。基于相场模拟的分析表明,界面能、弹性能和化学驱动力的综合作用诱发富Fe相的多重形态演变,其中四分支花瓣状颗粒长大过程中,在弹性应变能和化学驱动力相互角逐作用下,从一次分支上生长出二次分支,进而产生了多分支花瓣状的形态。 展开更多
关键词 铜合金 析出相 形态演变 材料表征 相场模拟
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A phase field model for snow crystal growth in three dimensions 被引量:1
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作者 Gilles Demange helena zapolsky +1 位作者 Renaud Patte Marc Brunel 《npj Computational Materials》 SCIE EI 2017年第1期350-356,共7页
Snowflake growth provides a fascinating example of spontaneous pattern formation in nature.Attempts to understand this phenomenon have led to important insights in non-equilibrium dynamics observed in various active s... Snowflake growth provides a fascinating example of spontaneous pattern formation in nature.Attempts to understand this phenomenon have led to important insights in non-equilibrium dynamics observed in various active scientific fields,ranging from pattern formation in physical and chemical systems,to self-assembly problems in biology.Yet,very few models currently succeed in reproducing the diversity of snowflake forms in three dimensions,and the link between model parameters and thermodynamic quantities is not established.Here,we report a modified phase field model that describes the subtlety of the ice vapour phase transition,through anisotropic water molecules attachment and condensation,surface diffusion,and strong anisotropic surface tension,that guarantee the anisotropy,faceting and dendritic growth of snowflakes.We demonstrate that this model reproduces the growth dynamics of the most challenging morphologies of snowflakes from the Nakaya diagram.We find that the growth dynamics of snow crystals matches the selection theory,consistently with previous experimental observations. 展开更多
关键词 DIMENSIONS PHASE FIELD
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Quasiparticle approach to diffusional atomic scale self-assembly of complex structures: from disorder to complex crystals and double-helix polymers 被引量:1
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作者 Mykola Lavrskyi helena zapolsky Armen G Khachaturyan 《npj Computational Materials》 SCIE EI 2016年第1期256-264,共9页
A self-organisation is an universal phenomenon in nature and,in particular,is highly important in materials systems.Our goal was to develop a new theory that provides a computationally effective approach to this probl... A self-organisation is an universal phenomenon in nature and,in particular,is highly important in materials systems.Our goal was to develop a new theory that provides a computationally effective approach to this problem.In this paper a quasiparticle theory of a diffusional self-organisation of atoms in continuum space during the diffusional time scale has been introduced.This became possible due to two novelties,a concept of quasiparticles,fratons,used for a description of dynamic degrees of freedom and model Hamiltonian taking into account a directionality,length and strength of interatomic bonds.To illustrate a predictive power and achievable level of complexity of self-assembled structures,the challenging cases of self-assembling of the diamond,zinc-blende,helix and double-helix structures,from a random atomic distribution,have been successfully modelled.This approach opens a way to model a self-assembling of complex atomic and molecular structures in the atomic scale during diffusional time. 展开更多
关键词 diffusion HELIX particle
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