在一定温度范围内尺寸不随环境温度发生明显改变的“零膨胀”金属材料能克服热震带来的膨胀问题，具有重要的研究价值。现已知的“零膨胀”金属材料数量稀少，对其物性研究和调控也十分有限。本项目以含3d/4f磁性元素的金属间化合物为研究对象，利用化学合成的手段调控金属间化合物的磁结构与化学成键，进而实现热膨胀性的调控，得到新型“零膨胀”金属间化合物。用中子衍射、同步辐射等确定金属间化合物的磁结构、晶体结构和化学成键，揭示金属间化合物电子自旋、轨道与晶格之间的耦合机制以及“零膨胀”成因。通过相图原理构筑双相“零膨胀”合金，优化力学性能，用HRTEM、原位中子衍射等揭示相界面处的化学成键和应力传递规律。本项目的实施有助于进一步认识固体功能材料的结构和物性关联，具有重要的科学意义与潜在的应用价值。

Metallic materials that keep their sizes constant against temperature, the so-called “Zero thermal expansion (ZTE)”, could solve the thermal expansion problems induced by thermal shock. Up to date, there’re few metallic materials that show ZTE, and the control of their physical properties is difficult. In this project, we focus on the intermetallic compounds that contain 3d/4f magnetic elements. We control their magnetic structures and chemical bonds by chemical synthesis, and thus tailor their thermal expansions to achieve novel ZTE intermetallic compounds. By neutron diffraction, synchrotron radiation X-ray and other method, we study the magnetic structure, crystal structure, and chemical bonds to reveal the interplay among spin, orbital, and lattice as well as the mechanism of ZTE. We design and synthesize the dual-phase ZTE alloys based on the phase-diagram rule to improve the mechanical properties of intermetallic compounds. By using HRTEM, in-situ loading neutron diffraction method, etc., we investigate the chemical bond and stress transfer rule at the the inter-phase boundaries. The implementation of this project is helpful to further understand the structure and physical properties of solid functional materials and has important research significance.