基于有效介质理论的物理性能计算模型的软件实现

孙楠楠; 施展; 丁琪; 许伟伟; 沈洋; 南策文

doi:10.7498/aps.68.20182273

摘要

在改进的有效介质理论的基础上采用C++/Qt混合编程, 设计并开发出一套复合材料物理性能模拟计算软件—Composite Studio. 该软件通过格林函数对本构方程进行求解, 计算体积分数、颗粒长径比、取向分布、宏观位向对复合材料有效性能的影响. 目前软件开发了弹性模量和介电常数两个模块, 提供了友好的人机界面, 能够构建多个显微结构参数的大量组合, 对结果进行作图分析. 该软件可以作为一种通用的计算软件, 用作高性能复合材料的材料设计.

关键词:

Abstract

In this paper, a composite physical property calculation software—Composite Studio is developed based on the modified effective medium theory. The computing kernel of the software is written in C++ language and its GUI is designed by Qt. With the development of the computation technique, the material genome project is proposed, which tries to shorten the period of the material design by high-throughput computation, data mining and property database establishment. On a mesoscopic scale, there are several kinds of the models to calculate the physical properties of the composite materials. However, these models usually have the formula in quite a lot of kinds of forms. A general commercial software for physical property calculation on a mesoscopic scale is still leaking. The software uses Green’s function to solve the constitutive equations. It calculates the effects of microstructural factors on physical properties. These factors include volume fraction, aspect ratio of reinforce particles, orientation distribution, and macroscopic orientation. It can obtain more than 10000 composites by freely combining four microstructure factors. The operation process of software includes 5 steps. The first step is to choose the materials of matrix and reinforcement. The second step is to select the shape type of reinforcement. The third step is to set the range of values for the microstructure factors of the composite materials. The fourth step is to choose the calculation model and start calculations. The last step is to plot and analyze the results. In addition, researchers can directly have the calculation results through the single point analysis module of the software. We use several two-dimensional line plots to display multi-dimensional calculation results. This is convenient and efficient for researchers to observe and analyze the results. Until now, two calculation modules were developed in Composite Studio, i.e. the elastic modulus calculation module and the dielectric constant calculation module. The software can be applied to different computer systems. In the future, the Composite Studio can be used as a general-purpose calculation tool embedded into an server platform for popular composite design.

Keywords:

作者及机构信息

1.
厦门大学材料学院, 厦门　361005

2.
厦门大学航空航天学院, 厦门　361102

3.
清华大学材料学院, 北京　100084

通信作者: 施展, shizhan@xmu.edu.cn ; 许伟伟, wwxu306@xmu.edu.cn ;

基金项目: 国家重点研发计划(批准号: 2017YFB0701603)、福建省自然科学基金(批准号: 2016J01256)、国家自然科学基金青年科学基金(批准号: 51601161)和中央高校基本科研业务费专项资金(批准号: 20720170048)资助的课题.

Authors and contacts

1.
College of Materials, Xiamen University, Xiamen 361005, China

2.
School of Aerospace Engineering, Xiamen University, Xiamen 361102, China

3.
School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China

Corresponding author: Shi Zhan, shizhan@xmu.edu.cn ; Xu Wei-Wei, wwxu306@xmu.edu.cn ;

Funds: Project supported by the National Key Research and Development Program of China (Grant No. 2017YFB0701603), the Natural Science Foundation of Fujian Province, China (Grant No. 2016J01256), the Young Scientists Fund of the National Natural Science Foundation of China (Grant No. 51601161), and the Fundamental Research Funds for the Central Universities of Ministry of Education of China (Grant No. 20720170048).

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参考文献

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[2]	南策文 2005 非均质材料物理: 显微结构-性能关联 (北京: 科学出版社) 第1−72页 Nan C W 2005 Heterogeneous Material Physics: Microstructure-performance Correlation (Beijing: Science Press) pp1−72 (in Chinese)
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[14]	Eshelby J D 1957 Proc. R. Soc. London, Ser. A 241 376 Google Scholar
[15]	Choy T C 2015 Effective Medium Theory: Principles and Applications (Oxford: Oxford University Press) pp1−26
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[19]	Liu Z Y, Chan C T, Sheng P 2005 Phys. Rev. B 71 014103 Google Scholar
[20]	Mei J, Liu Z Y, Wen W,Sheng P 2006 Phys. Rev. Lett. 96 024301 Google Scholar
[21]	Mei J, Liu Z Y, Wen W, Sheng P 2007 Phys. Rev. B 76 134205 Google Scholar
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施引文献

图 1 θ_cutoff规分布纤维的截止取向分布角

Fig. 1. Cut-off orientation distribution angle of randomly distributed fibers

下载: 全尺寸图片幻灯片

图 2 材料库输入界面

Fig. 2. Input interface of the material library

下载: 全尺寸图片幻灯片

图 3 计算流程图

Fig. 3. Flow chart of the calculation

下载: 全尺寸图片幻灯片

图 4 显微结构参数输入界面

Fig. 4. Input interface of microstructure parameters

下载: 全尺寸图片幻灯片

图 5 Composite Studio物理性能计算软件计算结果—弹性模量

Fig. 5. Calculation results of physical performance calculation software Composite Studio—elastic modulus

下载: 全尺寸图片幻灯片

图 6 Composite Studio物理性能计算软件计算结果—介电常数

Fig. 6. Calculation results of physical performance calculation software Composite Studio—dielectric constant

下载: 全尺寸图片幻灯片

map

[1]	Nan C W 1993 Prog. Mater. Sci. 37 1 Google Scholar
[2]	南策文 2005 非均质材料物理: 显微结构-性能关联 (北京: 科学出版社) 第1−72页 Nan C W 2005 Heterogeneous Material Physics: Microstructure-performance Correlation (Beijing: Science Press) pp1−72 (in Chinese)
[3]	O'Callaghan C, da Rocha C G D, Manning H G, Boland J J, Ferreira M S 2016 Phys. Chem. Chem. Phys. 18 27564 Google Scholar
[4]	Rabari R, Mahmud S, Dutta A 2015 Int. J. Heat Mass Transfer 91 190 Google Scholar
[5]	Monsalve-Bravo G M, Bhatia S K 2017 J. Membr. Sci. 531 148 Google Scholar
[6]	刘晓辉, 陈默涵, 李鹏飞, 沈瑜, 任新国, 郭光灿, 何力新 2015 64 187104 Google Scholar Liu X H, Chen M H, Li P F, Shen Y, Ren X G, Guo G C, He L X 2015 Acta Phys. Sin. 64 187104 Google Scholar
[7]	李刚, 邓力, 张宝印, 李瑞, 史敦福, 上官丹骅, 胡泽华, 付元光, 马彦 2016 65 052801 Google Scholar Li G, Deng L, Zhang B Y, Li R, Shi D F, Shangguan D H, Hu Z H, Fu Y G, Ma Y 2016 Acta Phys. Sin. 65 052801 Google Scholar
[8]	施展, 南策文 2004 53 2766 Google Scholar Shi Z, Nan C W 2004 Acta Phys. Sin. 53 2766 Google Scholar
[9]	忻隽, 郑燕青, 施尔畏 2007 无机材料学报 22 193 Google Scholar Xin J, Zheng Y Q, Shi E W 2007 J. Inorg. Mater. 22 193 Google Scholar
[10]	王彦成, 邱吴劼, 杨宏亮, 席丽丽, 杨炯, 张文清 2018 67 016301 Google Scholar Wang Y C, Qiu W J, Yang H L, Xi L L, Yang J, Zhang W Q 2018 Acta Phys. Sin. 67 016301 Google Scholar
[11]	Bensoussan A, Lions J L, Papanicolaou G 1978 Asymptotic Analysis for Periodic Structures (Amsterdam: North-Holland) p392
[12]	Nemat-Nasser S, Lori M, Datta S K 1996 J. Appl. Mech. 63 561 Google Scholar
[13]	张研, 张子明 2008 材料细观力学(北京: 科学出版社) 第20−81页 Zhang Y, Zhang Z M 2008 Mesomechanics of Materials (Beijing: Science Press) pp20−81 (in Chinese)
[14]	Eshelby J D 1957 Proc. R. Soc. London, Ser. A 241 376 Google Scholar
[15]	Choy T C 2015 Effective Medium Theory: Principles and Applications (Oxford: Oxford University Press) pp1−26
[16]	Bergman D J, Stroud D 1992 Solid State Phys. 46 147 Google Scholar
[17]	Gubernatis J E, Krumhansl J A 1975 J. Appl. Phys. 46 1875 Google Scholar
[18]	Nan C W, Jin F S 1993 Phys. Rev. B: Condens. Matter 48 8578 Google Scholar
[19]	Liu Z Y, Chan C T, Sheng P 2005 Phys. Rev. B 71 014103 Google Scholar
[20]	Mei J, Liu Z Y, Wen W,Sheng P 2006 Phys. Rev. Lett. 96 024301 Google Scholar
[21]	Mei J, Liu Z Y, Wen W, Sheng P 2007 Phys. Rev. B 76 134205 Google Scholar
[22]	Mei J, Wu Y, Liu Z Y 2012 Europhys. Lett. 98 54001 Google Scholar
[23]	Fang X Q, Tian J Y 2018 Int. J. Eng. Sci. 130 1 Google Scholar
[24]	Marur P R 2004 Mater. Lett. 58 3971 Google Scholar
[25]	Petrovsky V, Jasinski P, Dogan F 2012 J. Electroceram. 28 185 Google Scholar
[26]	Chýlek, Petr, Srivastava V 1984 Phys. Rev. B: Condens. Matter. 30 1008 Google Scholar
[27]	Lakhtakia A, Weiglhofer W S 1993 Acta Crystallogr. Sect. A: Found. Crystallogr. A49 266
[28]	Merrill W M, Diaz R E, Lore M M, Squires M C, Alexopoulos N G 1999 IEEE T. Antenn. Propag. 47 142 Google Scholar

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基于有效介质理论的物理性能计算模型的软件实现