ABSTRACT

For the Nd-Fe-B permanent magnets, a prototype thermodynamic database of the 8-element system (Nd, Fe, B, Al, Co, Cu, Dy, Ga) was constructed based on literature data and assessed parameters in the present work. The magnetic excess Gibbs energy of the Nd₂Fe₁₄B compound was reassessed using thoroughly measured heat capacity data. The Dy-Nd binary system was reassessed based on formation energies estimated from ab initio calculations. The constructed database was applied successfully for estimations of phase equilibria during the grain boundary diffusion processes (GBDP) and the reactions in the hydrogenation decomposition desorption recombination (HDDR) processes.

摘要

对于 Nd-Fe-B 永磁体，基于文献数据和当前工作中的评估参数构建了 8 元素系统（Nd、Fe、B、Al、Co、Cu、Dy、Ga）的原型热力学数据库. 使用彻底测量的热容量数据重新评估Nd ₂ Fe ₁₄ B 化合物的磁过剩吉布斯能。Dy-Nd 二元系统根据从头算计算估计的形成能进行了重新评估。构建的数据库成功应用于晶界扩散过程 (GBDP) 和加氢分解解吸复合 (HDDR) 过程中的相平衡估计。