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金屬固溶體熱膨脹系數(shù)的CALPHAD計算模型
作者:
作者單位:

1.廈門大學材料學院;2.廈門大學航空航天學院

作者簡介:

通訊作者:

中圖分類號:

TG113.222或TG113.14

基金項目:

國家重點研發(fā)計劃項目(項目號2017YFB0701603和2016YFB0701401),福建省自然科學基金項目(2016J01256)和國家自然科學基金青年基金項目(51601161)


CALPHAD Model of Thermal Expansion Coefficient in Metal Solid Solution
Author:
Affiliation:

1.College of materials,Xiamen University,Fujian,Xiamen;2.School of Aerospace Engineering,Xiamen University,Fujian,Xiamen

Fund Project:

National Key Research and Development Program of China(Nos 2017YFB0701603 and 2016YFB0701401),Natural Science Foundation of Fujian Province(No 2016J01256), National Science Foundation Youth Fund Project (No 51601161)

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    摘要:

    基于計算相圖方法(CALPHAD方法),借鑒經(jīng)典熱容模型,通過增加額外的磁性項參數(shù),構(gòu)建了包含鐵磁-順磁轉(zhuǎn)變的金屬固溶體熱膨脹系數(shù)的CALPHAD計算模型。結(jié)合Ni-Fe二元合金的實驗結(jié)果,采用Levenberg-Marquardt法對模型參數(shù)進行了評估,優(yōu)化得到了300~1200K范圍內(nèi)Ni-Fe二元金屬固溶體熱膨脹系數(shù)的相互作用參數(shù)。采用得到的模型參數(shù),對Ni-Fe二元金屬固溶體的熱膨脹系數(shù)進行了計算,計算結(jié)果準確地描述了Ni-Fe二元金屬固溶體在居里溫度附近的尖銳峰。隨著Fe含量的增加,居里溫度處的峰值減小,熱膨脹曲線由峰狀變成谷狀,與實驗值吻合。該計算模型可以準確計算任意Fe含量<50wt.%的Ni-Fe二元金屬固溶體的熱膨脹系數(shù)。

    Abstract:

    An important goal of materials genome initiative program is to build the calculation model and establish the database of physical properties of the materials, aiming to shorten the development period of the materials, reduce the cost of research and development in material and accelerate the production of new material. Although the existing model has been available for the calculation of pure component"s thermal expansion coefficient, a proper model to deal with metal solid solution"s thermal expansion coefficient is still lacking. Here, based on the calculation of phase diagram method (CALPHAD method), a model of the thermal expansion coefficient of solid solution containing ferromagnetic-paramagnetic transition is constructed by modifying the traditional heat capacity model and adding extra magnetic item. The experimental data of Ni-Fe binary system were used to assess the model parameters by Levenberg-Marquardt method. The interaction parameters in the temperature range of 300~1200K were obtained after assessment. Using assessed parameters, the thermal expansion coefficient of Ni-Fe binary alloy were calculated. Results indicated the sharp peak around Curie’s temperature precisely. The height of the peak gradually decreased as increasing Fe’s content and the shape of the thermal expansion curve changed from a peak into a valley, which were in agreement with the experimental data. This model can precisely predict the thermal expansion coefficient of any Ni-Fe binary alloy when Fe’s content is less than 50wt.%. This work provided a general calculation model for the thermal expansion coefficient in metal solid solution, and obtained the basic CALPHAD database of thermal expansion coefficient for Ni-Fe binary system, which can provide theoretical guidance for the design of low-expansion superalloy and also pave the way to establish the physical properties database of multi-element metal solid solution in the future.

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丁琪,施展,李曉菲,韓佳甲,許偉偉,王翠萍,劉興軍.金屬固溶體熱膨脹系數(shù)的CALPHAD計算模型[J].稀有金屬材料與工程,2019,48(9):2873~2878.[DING Qi, SHI Zhan, LI Xiaofei, HAN Jiajia, XU Weiwei, WANG Cuiping, LIU Xingjun. CALPHAD Model of Thermal Expansion Coefficient in Metal Solid Solution[J]. Rare Metal Materials and Engineering,2019,48(9):2873~2878.]
DOI:10.12442/j. issn.1002-185X.20180296

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  • 收稿日期:2018-03-28
  • 最后修改日期:2018-05-30
  • 錄用日期:2018-06-15
  • 在線發(fā)布日期: 2019-10-09
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