中国有色金属学报
中國有色金屬學報
중국유색금속학보
THE CHINESE JOURNAL OF NONFERROUS METALS
2013年
3期
610-615
,共6页
黄创高%黄礼琳%袁龙乐%邓芊芊%高英俊
黃創高%黃禮琳%袁龍樂%鄧芊芊%高英俊
황창고%황례림%원룡악%산천천%고영준
Al-Mg-Si合金%β′析出相%原子成键%界面
Al-Mg-Si閤金%β′析齣相%原子成鍵%界麵
Al-Mg-Si합금%β′석출상%원자성건%계면
Al-Mg-Si alloy%β′phase%atomic bonding%interface
应用基于价键理论和能带理论建立的固体与分子经验电子理论(EET)和改进的界面 TFD 理论,对Al-Mg-Si合金的β′析出相内部原子间的价电子成键及其与基体界面间形成的界面键络特征进行研究,计算该析出相的结合能、析出相与基体的界面能.计算结果表明:β′相的键络强度较pre-β″和β″相的有所减弱,因此,β′相对合金的强化作用没有β″相的显著;β′相界面处的电荷密度连续性较弱,使得界面结合较弱,相界面处内应力较大,界面结合不够稳定.本研究将合金宏观性能的研究追溯到原子成键的电子结构层次.
應用基于價鍵理論和能帶理論建立的固體與分子經驗電子理論(EET)和改進的界麵 TFD 理論,對Al-Mg-Si閤金的β′析齣相內部原子間的價電子成鍵及其與基體界麵間形成的界麵鍵絡特徵進行研究,計算該析齣相的結閤能、析齣相與基體的界麵能.計算結果錶明:β′相的鍵絡彊度較pre-β″和β″相的有所減弱,因此,β′相對閤金的彊化作用沒有β″相的顯著;β′相界麵處的電荷密度連續性較弱,使得界麵結閤較弱,相界麵處內應力較大,界麵結閤不夠穩定.本研究將閤金宏觀性能的研究追溯到原子成鍵的電子結構層次.
응용기우개건이론화능대이론건립적고체여분자경험전자이론(EET)화개진적계면 TFD 이론,대Al-Mg-Si합금적β′석출상내부원자간적개전자성건급기여기체계면간형성적계면건락특정진행연구,계산해석출상적결합능、석출상여기체적계면능.계산결과표명:β′상적건락강도교pre-β″화β″상적유소감약,인차,β′상대합금적강화작용몰유β″상적현저;β′상계면처적전하밀도련속성교약,사득계면결합교약,상계면처내응력교대,계면결합불구은정.본연구장합금굉관성능적연구추소도원자성건적전자결구층차.
@@@@The atomic bonding, interface combined factor, crystal cohesive energy, interface energy between the precipitation with matrix were calculated using the empirical electronic theory in solid (EET) and the improved TFD theory which were established basis on bond theory to investigate the atomic bonding in interface between the matrix with β′ phase. The calculation results show that the atomic bonding ofβ′phase is less than that ofβ″, therefore the effect ofβ′phase strengthening for alloy is not stronger than that ofβ″. The electronic density continuous in interface between theβ′phase and matrix is poor, and also the atomic bonding in interface is weaker, and makes the inner stress larger, and the combination of interface is not stable. The research for the macro-property of alloy goes back to the electronic scale of atomic bonding.