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TEM observation of precipitation phase produced during tempering of steel AerMet100 and first principles calculations of phase evolution 被引量:3

TEM observation of precipitation phase produced during tempering of steel AerMet100 and first principles calculations of phase evolution
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摘要 The microstructure evolution law and the structure of precipitates produced during the tempering of steel AerMet100 based on TEM observation and the calibration of diffraction spot were revealed.The electronic structure and the stability of the MoxCr2-xC phase were calculated using the plane-wave pseudo-potential method on basis of density functional theory.TEM observations show that the precipitation phases Fe3C and Fe2-xCx(x=0.05~0.14) between martensite lath are produced at 425 and 480 ℃,respectively.The increase of tempering temperature or time can lead to the redissolution of both phases Fe3C and Fe2-xCx,and also lead to the precipitation of the phase Cr2C in martensite lath.The calculation results of formation energies and the density of state(DOS) demonstrate that in point of MoxCr2-xC structures formed during tempering,the early precipitation phase is Cr2C and finally later evolves into Mo2C phase with diffusing of incorporation of Mo atom into the Cr2C crystal cell,lattice,which can results in a energy decreases of the structure MoxCr2-xC phase with the increase of x. The microstructure evolution law and the structure of precipitates produced during the tempering of steel AerMet100 based on TEM observation and the calibration of diffraction spot were revealed.The electronic structure and the stability of the MoxCr2-xC phase were calculated using the plane-wave pseudo-potential method on basis of density functional theory.TEM observations show that the precipitation phases Fe3C and Fe2-xCx(x=0.05~0.14) between martensite lath are produced at 425 and 480 ℃,respectively.The increase of tempering temperature or time can lead to the redissolution of both phases Fe3C and Fe2-xCx,and also lead to the precipitation of the phase Cr2C in martensite lath.The calculation results of formation energies and the density of state(DOS) demonstrate that in point of MoxCr2-xC structures formed during tempering,the early precipitation phase is Cr2C and finally later evolves into Mo2C phase with diffusing of incorporation of Mo atom into the Cr2C crystal cell,lattice,which can results in a energy decreases of the structure MoxCr2-xC phase with the increase of x.
出处 《Rare Metals》 SCIE EI CAS CSCD 2007年第S1期326-330,共5页 稀有金属(英文版)
关键词 steel AerMet100 TEMPERING phase evolution formation energies DOS steel AerMet100 tempering phase evolution formation energies DOS
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