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Crystal growth velocity in deeply undercooled Ni-Si alloys

机译:深度过冷的Ni-Si合金中的晶体生长速度

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The crystal growth velocity of Ni95Si5 and Ni90Si10 alloys as a function of undercooling is investigated using molecular dynamics simulations. The modified imbedded atom method potential yields the equilibrium liquidus temperatures T L ≈ 1505 and 1387 K for Ni95Si5 and Ni90Si10 alloys, respectively. From the liquidus temperatures down to the deeply undercooled region, the crystal growth velocities of both the alloys rise to the maximum with increasing undercooling and then drop slowly, whereas the athermal growth process presented in elemental Ni is not observed in Ni-Si alloys. Instead, the undercooling dependence of the growth velocity can be well-described by the diffusion-limited model, furthermore, the activation energy associated with the diffusion from melt to interface increases as the concentration increases from 5 to 10 at.% Si, resulting in the remarkable decrease of growth velocity.View full textDownload full textKeywordscrystallization, interfacial thermodynamics, molecular dynamic simulations, deep undercoolingRelated var addthis_config = { ui_cobrand: "Taylor & Francis Online", services_compact: "citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more", pubid: "ra-4dff56cd6bb1830b" }; Add to shortlist Link Permalink http://dx.doi.org/10.1080/09500839.2011.630687
机译:研究了Ni 95 Si 5 和Ni 90 Si 10 合金的晶体生长速度与过冷的关系使用分子动力学模拟。改进的嵌入式原子方法势可产生Ni 95 Si 5的平衡液相线温度T L ≥1505和1387≥K 和Ni 90 Si 10 合金。从液相线温度下降到深度过冷区域,两种合金的晶体生长速度都随着过冷度的增加而上升,然后缓慢下降,而在Ni-Si合金中未观察到元素Ni中存在的无热生长过程。取而代之的是,生长速度的过冷依赖性可以通过扩散限制模型很好地描述,此外,随着浓度从5%at%增加到10%,从熔体到界面的扩散相关的活化能增加,查看全文下载关键词全文结晶,界面热力学,分子动力学模拟,深度过冷相关的变量linkedin,facebook,stumbleupon,digg,google,更多“,发布ID:” ra-4dff56cd6bb1830b“};添加到候选列表链接永久链接http://dx.doi.org/10.1080/09500839.2011.630687

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