کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8160511 | 1525109 | 2018 | 20 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural, elastic and electronic properties of typical NdMgT4 (Tâ¯=â¯Co, Ni, Cu) alloys from ab initio calculation
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The crystal structure, elastic and magnetic properties of important ternary Mg-based alloys NdMgT4 (Tâ¯=â¯Co, Ni, Cu) have been studied using reliable ab initio calculations. Both cohesive energy and charge density difference suggest that three alloys have good structural stability with the order: NdMgCo4â¯>â¯NdMgNi4â¯>â¯NdMgCu4. It shows that NdMgCo4 alloy has magnetic moments with the Co atoms being the main contribution, which is also in agreement with the calculated electronic structures. We find that NdMgT4 (Tâ¯=â¯Co, Ni, Cu) alloys are all ductile materials with bulk-to-shear modulus (B/G) values higher than 1.75. The trends of calculated values for the shear moduli Cs and C44 are consistent with that of shear modulus G and young's modulus E, proving that NdMgT4 (Tâ¯=â¯Co, Ni, Cu) alloys exhibit good plasticity with the trend: NdMgNi4â¯>â¯NdMgCu4â¯>â¯NdMgCo4. These calculated results give the basis guidance for the design of rare earth-magnesium-transition metal (R-Mg-T) alloys with improved mechanical properties.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 540, 1 July 2018, Pages 38-42
Journal: Physica B: Condensed Matter - Volume 540, 1 July 2018, Pages 38-42
نویسندگان
Na Wang, Wei-bing Zhang, Bi-yu Tang, Hai-Tao Gao, En-jie He, Lei Wang,