Probability Distribution of Substituted Titanium in RT12 (R = Nd and Sm; T = Fe and Co) Structures
| العنوان: | Probability Distribution of Substituted Titanium in RT12 (R = Nd and Sm; T = Fe and Co) Structures |
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| المؤلفون: | S. C. Westmoreland, Akira Manabe, Akira Kato, Johann Fischbacher, Gergely T. Zimanyi, Gino Hrkac, Thomas Ostler, C. Skelland, M. Ito, R. F. L. Evans, Thomas Schrefl, Masao Yano, Tomoyuki Shoji, Roy W. Chantrell, M. Winklhofer |
| المصدر: | IEEE Transactions on Magnetics. 54:1-5 |
| بيانات النشر: | Institute of Electrical and Electronics Engineers (IEEE), 2018. |
| سنة النشر: | 2018 |
| مصطلحات موضوعية: | 010302 applied physics, Condensed Matter - Materials Science, Materials science, Analytical chemistry, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, chemistry.chemical_element, 02 engineering and technology, Physik (inkl. Astronomie), 021001 nanoscience & nanotechnology, 01 natural sciences, Boltzmann distribution, Electronic, Optical and Magnetic Materials, Stable system, Molecular dynamics, Transition metal, chemistry, 0103 physical sciences, Supercell (crystal), Probability distribution, Electrical and Electronic Engineering, 0210 nano-technology, Cohesive energy, Titanium |
| الوصف: | We investigated the atomic fill site probability distributions across supercell structures of RT12-xTi (R=Nd, Sm, T=Fe, Co). We use a combined molecular dynamics and Boltzmann distribution approach to extrapolate the probability distributions for Ti substitution from lower to higher temperatures with an equilibrium condition to assess how temperature affects the predictability of the structures fill path. It was found that the Nd and Sm based Fe systems have the highest filling probability path at lower temperatures but the cohesive energy change due to Ti substitution in Sm and Nd based crystals indicates that a more stable system could be achieved with a combination Co and Fe in the transition metal site. Comment: 5 pages, 4 figures, 2 tables |
| تدمد: | 1941-0069 0018-9464 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b89e0dbeb6c1d66ce36a1e0ed484eae https://doi.org/10.1109/tmag.2018.2832603 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....3b89e0dbeb6c1d66ce36a1e0ed484eae |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 19410069 00189464 |
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