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L12 -Ni3(Al, Cr)沉淀先期效應(yīng)的微觀相場(chǎng)模擬
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國家自然科學(xué)基金資助項(xiàng)目(50671084, 50875217)


Computer Simulation of the Early Stage of Precipitation of L12-Ni3(Al,Cr) Using Microscopic Phase-Field Method
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    摘要:

    基于微觀相場(chǎng)模型, 研究Ni80Al7Cr13合金在873 K時(shí)效過程中L12 結(jié)構(gòu)Ni3(Al,Cr)的沉淀先期效應(yīng)。分析沉淀早期微結(jié)構(gòu)、成分及有序度隨時(shí)間的變化。研究發(fā)現(xiàn)，原子有序化早于原子簇聚，首先形成有序度很低的L10結(jié)構(gòu)非化學(xué)計(jì)量比有序疇，隨著時(shí)間的延長(zhǎng)，有序疇的有序度逐漸提高，當(dāng)有序度增大到一定時(shí)，L10結(jié)構(gòu)非化學(xué)計(jì)量比有序疇逐漸向非化學(xué)計(jì)量比L12結(jié)構(gòu)轉(zhuǎn)變，最后非化學(xué)計(jì)量比L12 結(jié)構(gòu)有序疇的成分和有序度隨時(shí)間的增長(zhǎng)逐漸達(dá)到化學(xué)計(jì)量比L12結(jié)構(gòu)的成分和有序度，在化學(xué)計(jì)量比L12 結(jié)構(gòu)的有序相中，Al原子傾向于占據(jù)αⅠ反位, 而Cr原子則傾向于在αⅡ反位擇優(yōu)占位

    Abstract:

    Based on the microscopic phase-field model, the evolution of atom morphology of Ni80Al7Cr13 ternary alloy is simulated at 873 K during the aging process. The early stage effect of precipitation is studied and discussed through analysising the changes of microstructure, composition and order parameter with the time. The study shows that the ordering of atom is happened earlier than the clustering of atom in the early time of precipitation, firstly forming the nonstoicheometric L10 ordered domain with very low order parameter, then the order parameter increasing with the increase of the aging time. At the same time, the ordered domain expands toward the nonordered domain, and the nonstoicheometric L10 ordered domain gradually transforms to the nonstoicheometric L12 structure when the order parameter of L10 increases to some degree. At last, the composition and the order parameter of nonstoicheometric L12 ordered domain attain to that of the stoicheometric L12 ordered domain. In the stoicheometric L12 ordered domain, Al priority occupies the αⅠ antisite,Cr priority occupies the αⅡ antisite

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苗樹芳,陳 錚,王永欣,盧艷麗,趙 彥,馬 銳. L12 -Ni3(Al, Cr)沉淀先期效應(yīng)的微觀相場(chǎng)模擬[J].稀有金屬材料與工程,2009,38(9):1562~1566.[Miao Shufang, Chen Zheng, Wang Yongxin, Lu Yanli,,Zhao Yan, Ma Rui. Computer Simulation of the Early Stage of Precipitation of L12-Ni3(Al, Cr) Using Microscopic Phase-Field Method[J]. Rare Metal Materials and Engineering,2009,38(9):1562~1566.]
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  • 收稿日期:2008-09-10
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