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中文摘要：
NiAl和N13Al金属间化合物熔点高、密度低，具有较好的热传导性和良好的抗氧化性，是航空航天领域很有潜力的高温结构材料。运用固体与分子经验电子理论分析了NiAl和Ni3Al金属间化合物的价电子结构，并从电子结构层次初步探讨了NiAl和Ni3Al金属间化合物的强度、稳定性、室温脆性及熔点等问题。计算结果表明，化学计量比的NiAl和Ni3Al的脆性因子均小于0．08，室温下表现为本征脆性，NiAl的脆性比Ni3Al的脆性大；NiAl的熔点和强度均比Ni3Al的高，稳定性比Ni3Al的差。
英文摘要：
NiAl and Ni3 Al intermetallic compounds are potential materials for high-temperature structure in the field of aeronautics and astronautics because they have high melting point, low density, good heat exchange and excellent oxidation resistance. Valence electron structures of NiAI and Ni3 Al are investigated based on the empirical electron theory of solids and molecules（EET）. The strength, stability, room temperature brittleness and melting point of NiAI and Ni3Al are studied according to the electronic structure. The results show that the melting point, strength and room temperature brittleness of NiAl are more than Ni3 Al＇s, but its stability is worse.
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