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實(shí)用型數(shù)值回歸法在三元鋁合金互擴(kuò)散系數(shù)計(jì)算中的應(yīng)用
發(fā)布人：上海艾荔艾合金股份有限公司www.shailiai.cn
更新時(shí)間：2016-05-09
制備了 bcc 結(jié)構(gòu) Al-Fe-Mn 和 fcc 結(jié)構(gòu) Al-Cu-Ni 三元鋁合金單相固態(tài)半無(wú)限長(zhǎng)和有限長(zhǎng) (或薄膜型) 擴(kuò)散偶, 通過(guò) EPMA 測(cè)得相應(yīng)成分-距離曲線, 并采用實(shí)用型數(shù)值回歸法計(jì)算了相應(yīng)合金體系 1273 K 時(shí)隨成分變化的互擴(kuò)散系數(shù), 所得結(jié)果均滿足熱力學(xué)穩(wěn)定條件.
實(shí)用型數(shù)值回歸法在三元鋁合金互擴(kuò)散系數(shù)計(jì)算中的應(yīng)用APPLICATION OF PRAGMATIC NUMERICAL INVERSE METHOD IN?COMPUTATION OF INTERDIFFUSION COEFFICIENTS IN Al TERNARY?ALLOYS?
制備了 bcc 結(jié)構(gòu) Al-Fe-Mn 和 fcc 結(jié)構(gòu) Al-Cu-Ni 三元鋁合金單相固態(tài)半無(wú)限長(zhǎng)和有限長(zhǎng) (或薄膜型) 擴(kuò)散偶, 通過(guò) EPMA 測(cè)得相應(yīng)成分-距離曲線, 并采用實(shí)用型數(shù)值回歸法計(jì)算了相應(yīng)合金體系 1273 K 時(shí)隨成分變化的互擴(kuò)散系數(shù), 所得結(jié)果均滿足熱力學(xué)穩(wěn)定條件. 基于所測(cè)得互擴(kuò)散系數(shù)及 Fick 第二定律, 重現(xiàn)了實(shí)驗(yàn)測(cè)定的成分-距離曲線, 證實(shí)了所獲得互擴(kuò)散系數(shù)的可靠性. 進(jìn)一步分析結(jié)果表明, 該實(shí)用型數(shù)值回歸法不僅可以高效準(zhǔn)確地計(jì)算單相三元擴(kuò)散偶隨成分變化的互擴(kuò)散系數(shù), 還能很好地解決傳統(tǒng)方法不能處理的情況, 如擴(kuò)散通道上無(wú)交點(diǎn)的擴(kuò)散偶和有限長(zhǎng) (或薄膜型) 擴(kuò)散偶等。
Owing to excellent mechanical properties, Al alloys are widely used in aerospace, automotive and?civil industry. In order to optimize the properties and performance of the currently used Al alloys and/or even?design novel Al alloys, the quantitative description of the microstructure during alloys preparation is the key. In?recent years, the phase-field simulation coupling with the CALPHAD thermodynamic and atomic mobility?databases has become an effective way to quantitatively simulate the microstructure evolution. So far, the accurate?thermodynamic database for Al alloys has been established. However, it is not the case for atomic mobility?database for Al alloys. The major obstacle lies in lack of reliable diffusion coefficients in ternary and higher-order?Al alloys, and thus there is an urgent need to remedy this situation. In the present paper, several semi-infinite and?finite (thin film) single-phase solid-state diffusion?couples in bcc Al-Fe-Mn and fcc Al-Cu-Ni alloys?were first prepared. The concentration profiles for all?the diffusion couples were then measured by means?of EPMA. After that, the pragmatic numerical?inverse method, which has been recently developed?for high-throughput determination of the?interdiffusion coefficients in ternary system, and?validated in several systems, was employed to compute the composition-dependent interdiffusivities in the?corresponding systems at 1273 K. In order to eliminate the possibility that different interdiffusivities at the same?composition would be obtained from different sets of diffusion couples, only one set of adjustable parameters?were used for one system. All the obtained interdiffusivities satisfy the thermodynamic constrains. On the basis of?the determined interdiffusivities as well as Fick’s second law, all the experimental concentration profiles were?reproduced nicely via numerical simulation, which verifies the reliability of the determined interdiffusivities. The?further analysis indicates that the pragmatic numerical inverse method can not only realize the determination of?reliable composition-dependent interdiffusion coefficients in ternary diffusion couples, but also cover the cases,?which cannot be dealt with by the traditional Matano-Kirkaldy method, such as the diffusion couples without?intersection along their diffusion paths, and the finite (thin film) diffusion couples. In addition, the comparison?between the interdiffusivities from semi-infinite diffusion couples and those from finite (thin film) diffusion?couples was made, and the probable reason for their difference was also pointed out. All the presently obtained?interdiffusivities in bcc Al-Fe-Mn and fcc Al-Cu-Ni alloys will be utilized to develop the accurate atomic mobility?databases in ternary Al-Fe-Mn and Al-Cu-Ni systems in the next step.
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