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CHEN GUOLIANG, and GE HONGLIN, COMPUTER SIMULATION OF GRAIN BOUNDARY SEGREGATION BEHAVIOR AND MECHANISMS OF STRENGTHENING OF Mg IN Ni-BASED SUPERALLOYS, J. Univ. Sci. Technol. Beijing , 2(1995), No. 2, pp.84-91,108.
CHEN GUOLIANG, and GE HONGLIN, COMPUTER SIMULATION OF GRAIN BOUNDARY SEGREGATION BEHAVIOR AND MECHANISMS OF STRENGTHENING OF Mg IN Ni-BASED SUPERALLOYS, J. Univ. Sci. Technol. Beijing , 2(1995), No. 2, pp.84-91,108.
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Mg在Ni基高温合金中的晶界偏析行为和强化机制的计算机模拟

摘要: 用嵌入原子势函数和静态弛豫方法模拟了镁在高温合金中的晶界偏析行为。模拟结果指出,Mg确有晶界平衡偏析行为。Mg的晶界偏析使晶界区电子密度分布更加均匀,提高晶界结合强度和空位形成能,减少晶界位错可动性,因此推迟蠕变孔洞的形成和长大,这是Mg的主要强化机制。

 

COMPUTER SIMULATION OF GRAIN BOUNDARY SEGREGATION BEHAVIOR AND MECHANISMS OF STRENGTHENING OF Mg IN Ni-BASED SUPERALLOYS

Abstract: This paper used EAM and static relaxation method to simulate the grain boundary segregation behavior of Mg in Ni-based superalloys. The results offer a better understanding in the strengthening mechanism of Mg addition in superalloys. The segregation of Mg increases the grain boundary cohesive bond and the vacancy formation energy, and decreases the mobility of grain boundary dislocation. It results in the retardation of creep voids initiation and growth.

 

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