基于有效介质理论的物理性能计算模型的软件实现
|
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.
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.
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.
引文
[1]Nan C W 1993 Prog.Mater.Sci.37 1
[2]Nan C W 2005 Heterogeneous Material Physics:Microstructureperformance Correlation(Beijing:Science Press)pp1-72(in Chinese)[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]
[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
[4]Rabari R,Mahmud S,Dutta A 2015 Int.J.Heat Mass Transfer 91 190
[5]Monsalve-Bravo G M,Bhatia S K 2017 J.Membr.Sci.531148
[6]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(in Chinese)[刘晓辉,陈默涵,李鹏飞,沈瑜,任新国,郭光灿,何力新2015物理学报64187104]
[7]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(in Chinese)[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物理学报65 052801]
[8]Shi Z,Nan C W 2004 Acta Phys.Sin.53 2766(in Chinese)[施展,南策文2004物理学报53 2766]
[9]Xin J,Zheng Y Q,Shi E W 2007 J.Inorg.Mater.22 193(in Chinese)[忻隽,郑燕青,施尔畏2007无机材料学报22 193]
[10]Wang Y C,Qiu W J,Yang H L,Xi L L,Yang J,Zhang W Q2018 Acta Phys.Sin.67 016301(in Chinese)[王彦成,邱吴劼,杨宏亮,席丽丽,杨炯,张文清2018物理学报67 016301]
[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.63561
[13]Zhang Y,Zhang Z M 2008 Mesomechanics of Materials(Beijing:Science Press)pp20-81(in Chinese)[张研,张子明2008材料细观力学(北京:科学出版社)第20-81页]
[14]Eshelby J D 1957 Proc.R.Soc.London,Ser.A 241 376
[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
[17]Gubernatis J E,Krumhansl J A 1975 J.Appl.Phys.46 1875
[18]Nan C W,Jin F S 1993 Phys.Rev.B:Condens.Matter 488578
[19]Liu Z Y,Chan C T,Sheng P 2005 Phys.Rev.B 71 014103
[20]Mei J,Liu Z Y,Wen W,Sheng P 2006 Phys.Rev.Lett.96024301
[21]Mei J,Liu Z Y,Wen W,Sheng P 2007 Phys.Rev.B 76134205
[22]Mei J,Wu Y,Liu Z Y 2012 Europhys.Lett.98 54001
[23]Fang X Q,Tian J Y 2018 Int.J.Eng.Sci.130 1
[24]Marur P R 2004 Mater.Lett.58 3971
[25]Petrovsky V,Jasinski P,Dogan F 2012 J.Electroceram.28185
[26]Chylek,Petr,Srivastava V 1984 Phys.Rev.B:Condens.Matter.30 1008
[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
[2]Nan C W 2005 Heterogeneous Material Physics:Microstructureperformance Correlation(Beijing:Science Press)pp1-72(in Chinese)[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]
[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
[4]Rabari R,Mahmud S,Dutta A 2015 Int.J.Heat Mass Transfer 91 190
[5]Monsalve-Bravo G M,Bhatia S K 2017 J.Membr.Sci.531148
[6]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(in Chinese)[刘晓辉,陈默涵,李鹏飞,沈瑜,任新国,郭光灿,何力新2015物理学报64187104]
[7]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(in Chinese)[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物理学报65 052801]
[8]Shi Z,Nan C W 2004 Acta Phys.Sin.53 2766(in Chinese)[施展,南策文2004物理学报53 2766]
[9]Xin J,Zheng Y Q,Shi E W 2007 J.Inorg.Mater.22 193(in Chinese)[忻隽,郑燕青,施尔畏2007无机材料学报22 193]
[10]Wang Y C,Qiu W J,Yang H L,Xi L L,Yang J,Zhang W Q2018 Acta Phys.Sin.67 016301(in Chinese)[王彦成,邱吴劼,杨宏亮,席丽丽,杨炯,张文清2018物理学报67 016301]
[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.63561
[13]Zhang Y,Zhang Z M 2008 Mesomechanics of Materials(Beijing:Science Press)pp20-81(in Chinese)[张研,张子明2008材料细观力学(北京:科学出版社)第20-81页]
[14]Eshelby J D 1957 Proc.R.Soc.London,Ser.A 241 376
[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
[17]Gubernatis J E,Krumhansl J A 1975 J.Appl.Phys.46 1875
[18]Nan C W,Jin F S 1993 Phys.Rev.B:Condens.Matter 488578
[19]Liu Z Y,Chan C T,Sheng P 2005 Phys.Rev.B 71 014103
[20]Mei J,Liu Z Y,Wen W,Sheng P 2006 Phys.Rev.Lett.96024301
[21]Mei J,Liu Z Y,Wen W,Sheng P 2007 Phys.Rev.B 76134205
[22]Mei J,Wu Y,Liu Z Y 2012 Europhys.Lett.98 54001
[23]Fang X Q,Tian J Y 2018 Int.J.Eng.Sci.130 1
[24]Marur P R 2004 Mater.Lett.58 3971
[25]Petrovsky V,Jasinski P,Dogan F 2012 J.Electroceram.28185
[26]Chylek,Petr,Srivastava V 1984 Phys.Rev.B:Condens.Matter.30 1008
[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