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永磁材料稀土减量化的计算设计
Alexander Kovacs, Johann Fischbacher, Markus Gusenbauer, Harald Oezelt, Heike C. Herper, Olga Yu. Vekilova, Pablo Nieves, Sergiu Arapan, Thomas Schrefl
工程（英文） ›› 2020, Vol. 6 ›› Issue (2) : 148-153.
PDF(1195 KB)
PDF(1195 KB)
永磁材料稀土减量化的计算设计
Computational Design of Rare-Earth Reduced Permanent Magnets
多尺度模拟是研究新型永磁材料的关键工具。从第一性原理出发，我们利用一系列模拟方法计算出由新型磁性材料构成的永磁体的可能的最大矫顽场和最大磁能积。利用自适应遗传算法，我们发现了有利于形成永磁体的多种富铁（Fe）磁性相。我们利用从头计算模拟得到的材料本征特性作为微磁学模拟的输入参数，对具有真实结构的永磁体的磁滞特性进行了微磁模拟。我们利用机器学习技术对永磁体的微结构进行了优化，从而预测出该磁性相的矫顽力和最大磁能积的理论上限。我们计算了由几种候选硬磁相构造的永磁体的结构-性能关系，并用[矫顽力（T），最大磁能积（kJ·m–3） ]表示，具体结果如下：铁-锡-锑（Fe3Sn0.75Sb0.25）永磁体为（0.49, 290）； L10型有序相的铁-镍（L10 FeNi）永磁体为（1, 400）；钴-铁-钽（CoFe6Ta）永磁体为（0.87, 425）；锰-铝（MnAl）永磁体为（0.53, 80）。
Multiscale simulation is a key research tool in the quest for new permanent magnets. Starting with first principles methods, a sequence of simulation methods can be applied to calculate the maximum possible coercive field and expected energy density product of a magnet made from a novel magnetic material composition. Iron (Fe)-rich magnetic phases suitable for permanent magnets can be found by means of adaptive genetic algorithms. The intrinsic properties computed by ab initio simulations are used as input for micromagnetic simulations of the hysteresis properties of permanent magnets with a realistic structure. Using machine learning techniques, the magnet's structure can be optimized so that the upper limits for coercivity and energy density product for a given phase can be estimated. Structure property relations of synthetic permanent magnets were computed for several candidate hard magnetic phases. The following pairs (coercive field (T), energy density product (kJ·m−3)) were obtained for iron-tin-antimony (Fe3Sn0.75Sb0.25): (0.49, 290), L10-ordered iron-nickel (L10 FeNi): (1, 400), cobalt-iron-tantalum (CoFe6Ta): (0.87, 425), and manganese-aluminum (MnAl): (0.53, 80).
Rare-earth / Permanent magnets / Micromagnetics
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