کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7881585 | 1509600 | 2014 | 13 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Predicting βⲠprecipitate morphology and evolution in Mg-RE alloys using a combination of first-principles calculations and phase-field modeling
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Predicting βⲠprecipitate morphology and evolution in Mg-RE alloys using a combination of first-principles calculations and phase-field modeling Predicting βⲠprecipitate morphology and evolution in Mg-RE alloys using a combination of first-principles calculations and phase-field modeling](/preview/png/7881585.png)
چکیده انگلیسی
The precipitate morphology in Mg-rare earth (RE) element binary alloys is predicted using a multi-scale modeling approach combining a three-dimensional (3-D) phase-field model and first-principles density functional theory calculations. First-principles calculations provide all the required input parameters for the phase-field model, including lattice parameters, elastic constants, formation energies and interfacial energies. This integrated model is applied to a Mg-Nd alloy as a model system. Quantitative 3-D phase-field simulations are performed to study the metastable βⲠprecipitate morphologies, habit plane formation and spatial distribution of the precipitates during isothermal aging. The predicted morphologies of βⲠprecipitates are in excellent agreement with existing experimental observations. The influence of the precipitate morphology on the mechanical properties is also evaluated using the Orowan equation. The results are expected to provide guidance for achieving desirable precipitate morphologies and thus mechanical properties in Mg alloys.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Acta Materialia - Volume 76, 1 September 2014, Pages 259-271
Journal: Acta Materialia - Volume 76, 1 September 2014, Pages 259-271
نویسندگان
Y.Z. Ji, A. Issa, T.W. Heo, J.E. Saal, C. Wolverton, L.-Q. Chen,