硬质相是耐磨材料中的重要组相，除需高强韧性外其结构形态也是决定合金性能的关键。研究硬质相结构形态优化机制及其对合金性能的影响规律，对进一步提高合金性能具有重要的科学意义。本项目以新一代耐磨材料Fe-B-C合金为研究对象，针对M2B硬质相连续网状分布所导致的合金力学性能与耐磨性能不足，提出通过形核界面演化诱发M2B形态可控构筑实现性能优化的新方法。拟采用第一性原理和实验，研究熔体/内生夹杂α-MnS间的液-固界面有序结构形成和溶质原子分布，以及M2B/α-MnS间的固-固界面结构及特性，揭示α-MnS协同掺杂元素诱发M2B异质形核的界面演化规律；深入分析M2B二维/三维结构形态的演变规律，以及M2B形态变化对合金断裂行为与磨损行为的影响，阐明M2B结构形态的可控构筑机制和合金性能的优化机制。本项目的实施为耐磨材料组织可控构筑及延寿技术提供新的设计思路与控制途径。

Hard phase is an important constituent phase in wear-resistant alloy. Besides strengthening and toughening, the structural morphology of hard phase is also the foundation of wear-resistant alloy with superior properties. Therefore, it has significance in science for further improving wear-resistant alloy’s properties to investigate the optimization mechanism of hard phase's structural morphology and its effect. This project takes Fe-B-C alloy as the object of study. Aiming at the phenomenon that the continuous reticular distribution of hard phase M2B leads to the poor mechanical properties and wear resistance in Fe-B-C alloy, an academic thought that the M2B morphology optimization induced by the evolution of nucleation interface is proposed, as a result achieving an improvement of the alloy’s properties. Through the first-principles calculation and experiments, the formation principles of ordered melt structure and solute atomic distribution near the melt/α-MnS liquid-solid interface are analyzed, as well as the structure and characteristics near the M2B/α-MnS solid-solid interface. Based on which the influence of α-MnS cooperates with doping elements on the heterogeneous nucleation interface evolution of M2B is revealed. Moreover, through in-depth analysis of the 2d/3d structure morphology evolution of the M2B, as well as the influence of M2B morphology change on the fracture behavior and wear behavior of the alloy, clarifying the controllable mechanism of the M2B morphology and the optimization mechanism of the alloy’s properties. The implementation of this project is expected to provide a new design method and improvement for the controllable preparation and life-extending in wear-resistant alloy.