复合材料微观组织结构的计算机设计
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摘要
随着科学技术的日新月异,工程应用中对材料性能的要求愈来愈来高,对材料服役条件愈来愈苛刻,对工程构件服役寿命的估算也日益严格。一些传统的材料已经不能满足各种极端条件下的需求,这就要求我们拓展思路、改进方法设计适用于各种工程环境下作业的先进材料,并对设计出的新型先进材料的材料性能、失效行为进行有效地预测与评估。
近年来,伴随计算科学的迅猛发展,计算机技术在各学科领域内得到广泛的应用。当前,国内外许多学者以计算机仿真与数值计算为手段将计算机技术成功运用于材料科学,以弥补传统材料设计与制备的不足。通过各种算法设计实现材料微观组织结构的数字化仿真与数值化模拟已经成为利用计算机技术研究材料科学的主要研究趋势,并逐步演化为一门崭新的学科——材料微结构计算学。“数字材料”技术是材料设计、性能预测与评估材料服役行为计算机化的关键手段,它被用来支撑跨尺度／跨时度的材料的微结构及其演化过程的可视化表达、表征、模拟与虚拟推演,从而实现材料微观组织结构状态的可设计、可推演、可预测。同时,伴随着材料微观组织结构状态的数字化过程,材料微结构的数值化处理技术的应用亦显得十分重要。数字化过程是对一种状态的翻译过程,而数值化过程就是对一种状态的处理过程。“数值材料”技术是“数字材料”技术成功走进材料科学领域最基本的前提,亦是“材料微结构计算学”的基础,其作用是依据材料微观组织结构之几何结构、组成物结构、或相结构做出有效地数值计算,“数值材料”技术为定量分析材料微结构奠定了基础。在实现对材料微结构进行数值计算的基础上,还可以实现材料微结构的虚拟失效分析,从而系统地建立一套推演多元多相异质体材料微结构虚拟失效过程、评估微结构虚拟失效状态的科学方法,开发一套较为实用的计算机软件,最终创建一整套“微结构组成物几何结构-微结构组成物材料性能-材料结构弱点特性-微裂纹扩展行为-材料损伤后性能-微结构失效状态”数据库平台。
围绕上述问题,本文分别结合金属基复合材料、树脂基复合材料以及碳-碳编织复合材料在航空航天领域中的广泛应用,以“数字材料”技术为先导,用于表征具有各种复杂几何形貌的复合材料微观组织结构,以“数值材料”技术为核心,用于实现材料微结构在各种工况条件下的数值模拟与虚拟失效分析,从而实现不同复合材料微观组织结构设计与数值计算的研究工作。
钛基复合材料(TMCs)以其高的比强度、比刚度和抗高温特性而成为超高音速宇航飞行器和下一代先进航空发动机的候选材料。随着航空工业的飞速发展,常规的钛及钛合金已不能满足要求,需要开发新的高性能钛合金以满足更高的要求,因此研究问题的焦点由常规钛合金转向金属间化合物、由固溶强化钛合金转向钛基复合材料,钛基复合材料主要分为颗粒增强和纤维增强2大类,当低密度、高模量、高强度的增强相加入到钛基体合金中,复合材料的比强度、比模量和蠕变强度等材料性能都有较大的提高,可以满足航空工业的需要。本文以开发的材料微观组织结构仿真软件ProDesign为基础,构造出钛基复合材料微结构的“代表性体积单元块”,并结合C++程序设计、Python脚本语言,对商业有限元软件ABAQUS的前后处理进行二次开发,实现钛基复合材料微结构的有限元网格划分与细观力学计算,并根据材料微结构力学计算的数值解,预测钛基复合微结构材料材料性能,识别“材料结构弱点”,评估微裂纹(群)的启裂、扩展,推演“微结构虚拟失效”行为。
先进树脂基复合材料由于其比强度和比刚度高、可设计性强、抗疲劳断裂性能好、耐腐蚀、结构尺寸稳定性好以及便于大面积整体成形的独特优点,已经在航空、航天等领域得到广泛应用。先进树脂基复合材料基体的主要成分是聚合物,可分为热塑性树脂和热固性树脂两大类,环氧树脂是一种最常见的热固性树脂,具有形式多样、固化方便、黏附力强、收缩性低、良好的力学与电学性能、化学稳定性好等一系列优异的性能,环氧树脂最大的弱点就是韧性较差,固化后的树脂耐冲击性能差,容易裂开,因此作为航空高性能复合材料应用时,需要对其进行增韧改性。对于按照不同TP/TS (Thermoplastic/Thermoset)配比制备的环氧树脂基复合材料微结构具有不同相结构,本文结合北京航空材料研究院提供的实验数据,以原位共混工艺制备的增韧环氧树脂基复合材料为基础,采用计算机仿真的方法,表征实验观测到的原位共混增韧体系相结构,研究其组分配比与粒径分布、粒间距之间的关系,并通过有限元法的数值模拟,预测所制备的树脂基复合材料的力学性能。
三维碳-碳编织复合材料以整体编织预成型件作为增强材料,不需缝合和机械加工,具有明显的性能可设计性与良好的综合性能指标,如较高的强度、刚度和较好的抗冲击性、耐烧蚀性等,所以受到工程界的普遍关注,成为航空、航天领域的重要材料。本文分别通过对六方、四方纤维束以及三向缎布穿刺等三维碳-碳编织复合材料微观组织结构进行设计,表征不同编织材料微结构的“重复性单元块”(RUC),对构造的材料微结构进行具体的工况分析,预测其不同方向的弹性模量、拉伸强度以及热膨胀系数等材料性能。并在此基础上,利用刚度为零的材料单元表征编织复合材料微结构内的缺陷,研究不同类型缺陷对弹性模量的影响。
Along with the development of science and technology, in the engineering applications of the material the requirement of material performance becomes much higher, the service conditions for material become more and more harsh, and the service life estimates for the engineering component are increasingly strict. Some traditional materials have been unable to meet a variety of extreme conditions demand, which requires us to design the advanced material to be applicable to various engineering environment by expanding thinking and improving methods, effectively to predict the material property and to evaluate the failure behavior for the advanced material.
In recent years, with the rapid development of computational science, computer technology has been used to a wide range of applications in various fields. At present, many scholars at home and abroad make computer technology to apply to material science successfully by means of computer simulation and numerical calculation, to make up for deficiency of the design and manufacture of the traditional material. Digital simulation and numerical simulation of material microstructures is achieved by using various algorithms, and material science is researched by using computer technology, which has become the major study trends. Finally a new subject that is the Material Microstructures calculation is formed gradually. "Digital Materials" technology is a key to computerize the design of microstructure, the prediction of performance and the evaluation of material service. It is used to support visualizing expression、characterization、simulation and virtual failure of interscale/intertemporal material microstructures and the process evolution, thus the design、deducing and prediction of the status of material microstructure is achieved. At the same time, along with the digitizing process of the material microstructure, the numerical technology of material microstructure is also very important. Digitization process is a translation process of a status, while numerical process is a treatment process of a status. "Numerical material" technology is the basic premise of "Digital Materials" technology going into the field of materials science successfully, and is basis of "material microstructure calculation". Its role is to make effective numerical calculation based on the geometric、component and phase structure of material microstructure. "Numerical Materials" technology has laid a foundation for the quantitative analysis of material microstructure. After numerical calculation of material microstructures is implemented, you can achieve virtual failure analysis of material microstructures, which systematically set up the scientific method of deducing virtual failure process of multi-phase heterogeneous material microstructure and assessing the virtual failure state of the microstructure, develop the more useful computer software. Eventually a set of database platform of" the component geometric structure of microstructure-the component material properties of microstructure-the identification of material microstructure weaknesses-propagation behavior of microcrack-material performance after damage-virtual failure status of microstructure "is created.
Around the above problem, this paper finally achieves the design of the different composites microstructure and the study of numerical simulation, respectively, combining with metal matrix composites, resin-based composites and carbon-carbon braided composites applied widely in the field of aerospace. As the guide of "Digital Materials" technology, composite microstructure with a variety of complex geometric morphology is characterized. As the core of "Numerical Materials" technology, numerical simulation and virtual failure analysis of material microstructure is achieved in a variety of working conditions.
Titanium matrix composites (TMCs) become select materials of ultra-high speed aerospace vehicle and the advanced of aero-engine next generation, because of its higher specific strength, specific stiffness and resistance of high-temperature. With the rapid development of aviation industry, the conventional titanium and titanium alloy can not meet the requirements.so it is necessary to develop new high-performance titanium alloys to meet higher requirements, therefore the focus of research is shifted from conventional titanium to intermetallic compounds、from the solid Solubilization enhanced titanium to titanium matrix composites. Titanium matrix composites include fiber reinforced and particle reinforced 2 major categories. When the low-density、high-modulus、high-strength reinforcement is added to titanium matrix alloy, the composite performance such as strength, modulus and creep strength has been greatly improved, and be able to meet the needs of the aviation industry. Based on the developed material microstructure simulation software ProDesign, the "representative volume element" of a titanium matrix composite microstructure is constructed, and combined with C++ programming and Python scripting language, the secondary development of pre-/post-processing for the commercial finite element software ABAQUS is carried out. We can achieve the finite element mesh and mesomechanics calculation of titanium matrix composite microstructure, and according to numerical value of the material microstructure mechanical response calculation, predict material performance of titanium matrix composite microstructure, identify "material structural weaknesses", assess the crack initiation、expansion of the micro cracks, deduce "microstructure virtual failure" behavior.
Advanced polymer matrix composites have found widespread application in the field of aviation and aerospace, because of its higher specific strength and specific stiffness, good design, good anti-fatigue fracture properties, corrosion resistance, good dimensional stability, as well as facilitating to form the overall shape. Advanced polymer matrix composits are the major components of the polymer, usually including thermoplastic resin and thermosetting resin two categories. Epoxy resin is one of the most common thermosetting resins, and there is a series of excellent material properties such as structure multiplicity, convenient solidification, strong adhesion, low shrinkage, good mechanical and electrical properties, and good chemical stability. But the biggest weakness of epoxy resin is poor toughness, impact resistance is bad, and easy to crack, hence epoxy resin need to be toughening modification when it is used to an high-performance composites of aviation. For epoxy resin-based composite microstructure of different phase structure manufactured with different ratio of TP/TS (Thermoplastic/Thermoset), We have characterized the phase structure of the toughened epoxy system according to experimental observation, by using of computer simulation methods, combined with experimental data that was provided by Beijing Institute of Aeronautical Materials, have studied the relationship between the composition ratio and particle size distribution、particle spacing, and have predicted the mechanical properties of resin-based composite materials such as elastic modulus, shear modulus, Poisson's ratio, impact toughness and fracture toughness by using of numerical simulation of finite element method.
Three-dimensional carbon-carbon braided composites, using a whole pieces of knitting as reinforcing material, without suture and mechanical processing, have good design of high material properties and good comprehensive performance indicators, such as higher strength, stiffness and better impact resistance, ablation resistance, etc. So it has been the general concern of the engineering sector, and become an essential material in the fields of aviation and aerospace. By means of design of three-dimensional carbon-carbon braided composite microstructure of the six-square, the four-square fasciculus. We characterized "repetitive unit cell" (RUC) of the different woven material microstructures, analyzed specific conditions of material microstructure, predicted material properties such as elastic modulus, tensile strength and coefficient of thermal expansion in different direction. On this basis, the impact of elastic modulus on braided composite microstructure including different types of defects which is characterized by material element of zero stiffness is studied.
近年来,伴随计算科学的迅猛发展,计算机技术在各学科领域内得到广泛的应用。当前,国内外许多学者以计算机仿真与数值计算为手段将计算机技术成功运用于材料科学,以弥补传统材料设计与制备的不足。通过各种算法设计实现材料微观组织结构的数字化仿真与数值化模拟已经成为利用计算机技术研究材料科学的主要研究趋势,并逐步演化为一门崭新的学科——材料微结构计算学。“数字材料”技术是材料设计、性能预测与评估材料服役行为计算机化的关键手段,它被用来支撑跨尺度／跨时度的材料的微结构及其演化过程的可视化表达、表征、模拟与虚拟推演,从而实现材料微观组织结构状态的可设计、可推演、可预测。同时,伴随着材料微观组织结构状态的数字化过程,材料微结构的数值化处理技术的应用亦显得十分重要。数字化过程是对一种状态的翻译过程,而数值化过程就是对一种状态的处理过程。“数值材料”技术是“数字材料”技术成功走进材料科学领域最基本的前提,亦是“材料微结构计算学”的基础,其作用是依据材料微观组织结构之几何结构、组成物结构、或相结构做出有效地数值计算,“数值材料”技术为定量分析材料微结构奠定了基础。在实现对材料微结构进行数值计算的基础上,还可以实现材料微结构的虚拟失效分析,从而系统地建立一套推演多元多相异质体材料微结构虚拟失效过程、评估微结构虚拟失效状态的科学方法,开发一套较为实用的计算机软件,最终创建一整套“微结构组成物几何结构-微结构组成物材料性能-材料结构弱点特性-微裂纹扩展行为-材料损伤后性能-微结构失效状态”数据库平台。
围绕上述问题,本文分别结合金属基复合材料、树脂基复合材料以及碳-碳编织复合材料在航空航天领域中的广泛应用,以“数字材料”技术为先导,用于表征具有各种复杂几何形貌的复合材料微观组织结构,以“数值材料”技术为核心,用于实现材料微结构在各种工况条件下的数值模拟与虚拟失效分析,从而实现不同复合材料微观组织结构设计与数值计算的研究工作。
钛基复合材料(TMCs)以其高的比强度、比刚度和抗高温特性而成为超高音速宇航飞行器和下一代先进航空发动机的候选材料。随着航空工业的飞速发展,常规的钛及钛合金已不能满足要求,需要开发新的高性能钛合金以满足更高的要求,因此研究问题的焦点由常规钛合金转向金属间化合物、由固溶强化钛合金转向钛基复合材料,钛基复合材料主要分为颗粒增强和纤维增强2大类,当低密度、高模量、高强度的增强相加入到钛基体合金中,复合材料的比强度、比模量和蠕变强度等材料性能都有较大的提高,可以满足航空工业的需要。本文以开发的材料微观组织结构仿真软件ProDesign为基础,构造出钛基复合材料微结构的“代表性体积单元块”,并结合C++程序设计、Python脚本语言,对商业有限元软件ABAQUS的前后处理进行二次开发,实现钛基复合材料微结构的有限元网格划分与细观力学计算,并根据材料微结构力学计算的数值解,预测钛基复合微结构材料材料性能,识别“材料结构弱点”,评估微裂纹(群)的启裂、扩展,推演“微结构虚拟失效”行为。
先进树脂基复合材料由于其比强度和比刚度高、可设计性强、抗疲劳断裂性能好、耐腐蚀、结构尺寸稳定性好以及便于大面积整体成形的独特优点,已经在航空、航天等领域得到广泛应用。先进树脂基复合材料基体的主要成分是聚合物,可分为热塑性树脂和热固性树脂两大类,环氧树脂是一种最常见的热固性树脂,具有形式多样、固化方便、黏附力强、收缩性低、良好的力学与电学性能、化学稳定性好等一系列优异的性能,环氧树脂最大的弱点就是韧性较差,固化后的树脂耐冲击性能差,容易裂开,因此作为航空高性能复合材料应用时,需要对其进行增韧改性。对于按照不同TP/TS (Thermoplastic/Thermoset)配比制备的环氧树脂基复合材料微结构具有不同相结构,本文结合北京航空材料研究院提供的实验数据,以原位共混工艺制备的增韧环氧树脂基复合材料为基础,采用计算机仿真的方法,表征实验观测到的原位共混增韧体系相结构,研究其组分配比与粒径分布、粒间距之间的关系,并通过有限元法的数值模拟,预测所制备的树脂基复合材料的力学性能。
三维碳-碳编织复合材料以整体编织预成型件作为增强材料,不需缝合和机械加工,具有明显的性能可设计性与良好的综合性能指标,如较高的强度、刚度和较好的抗冲击性、耐烧蚀性等,所以受到工程界的普遍关注,成为航空、航天领域的重要材料。本文分别通过对六方、四方纤维束以及三向缎布穿刺等三维碳-碳编织复合材料微观组织结构进行设计,表征不同编织材料微结构的“重复性单元块”(RUC),对构造的材料微结构进行具体的工况分析,预测其不同方向的弹性模量、拉伸强度以及热膨胀系数等材料性能。并在此基础上,利用刚度为零的材料单元表征编织复合材料微结构内的缺陷,研究不同类型缺陷对弹性模量的影响。
Along with the development of science and technology, in the engineering applications of the material the requirement of material performance becomes much higher, the service conditions for material become more and more harsh, and the service life estimates for the engineering component are increasingly strict. Some traditional materials have been unable to meet a variety of extreme conditions demand, which requires us to design the advanced material to be applicable to various engineering environment by expanding thinking and improving methods, effectively to predict the material property and to evaluate the failure behavior for the advanced material.
In recent years, with the rapid development of computational science, computer technology has been used to a wide range of applications in various fields. At present, many scholars at home and abroad make computer technology to apply to material science successfully by means of computer simulation and numerical calculation, to make up for deficiency of the design and manufacture of the traditional material. Digital simulation and numerical simulation of material microstructures is achieved by using various algorithms, and material science is researched by using computer technology, which has become the major study trends. Finally a new subject that is the Material Microstructures calculation is formed gradually. "Digital Materials" technology is a key to computerize the design of microstructure, the prediction of performance and the evaluation of material service. It is used to support visualizing expression、characterization、simulation and virtual failure of interscale/intertemporal material microstructures and the process evolution, thus the design、deducing and prediction of the status of material microstructure is achieved. At the same time, along with the digitizing process of the material microstructure, the numerical technology of material microstructure is also very important. Digitization process is a translation process of a status, while numerical process is a treatment process of a status. "Numerical material" technology is the basic premise of "Digital Materials" technology going into the field of materials science successfully, and is basis of "material microstructure calculation". Its role is to make effective numerical calculation based on the geometric、component and phase structure of material microstructure. "Numerical Materials" technology has laid a foundation for the quantitative analysis of material microstructure. After numerical calculation of material microstructures is implemented, you can achieve virtual failure analysis of material microstructures, which systematically set up the scientific method of deducing virtual failure process of multi-phase heterogeneous material microstructure and assessing the virtual failure state of the microstructure, develop the more useful computer software. Eventually a set of database platform of" the component geometric structure of microstructure-the component material properties of microstructure-the identification of material microstructure weaknesses-propagation behavior of microcrack-material performance after damage-virtual failure status of microstructure "is created.
Around the above problem, this paper finally achieves the design of the different composites microstructure and the study of numerical simulation, respectively, combining with metal matrix composites, resin-based composites and carbon-carbon braided composites applied widely in the field of aerospace. As the guide of "Digital Materials" technology, composite microstructure with a variety of complex geometric morphology is characterized. As the core of "Numerical Materials" technology, numerical simulation and virtual failure analysis of material microstructure is achieved in a variety of working conditions.
Titanium matrix composites (TMCs) become select materials of ultra-high speed aerospace vehicle and the advanced of aero-engine next generation, because of its higher specific strength, specific stiffness and resistance of high-temperature. With the rapid development of aviation industry, the conventional titanium and titanium alloy can not meet the requirements.so it is necessary to develop new high-performance titanium alloys to meet higher requirements, therefore the focus of research is shifted from conventional titanium to intermetallic compounds、from the solid Solubilization enhanced titanium to titanium matrix composites. Titanium matrix composites include fiber reinforced and particle reinforced 2 major categories. When the low-density、high-modulus、high-strength reinforcement is added to titanium matrix alloy, the composite performance such as strength, modulus and creep strength has been greatly improved, and be able to meet the needs of the aviation industry. Based on the developed material microstructure simulation software ProDesign, the "representative volume element" of a titanium matrix composite microstructure is constructed, and combined with C++ programming and Python scripting language, the secondary development of pre-/post-processing for the commercial finite element software ABAQUS is carried out. We can achieve the finite element mesh and mesomechanics calculation of titanium matrix composite microstructure, and according to numerical value of the material microstructure mechanical response calculation, predict material performance of titanium matrix composite microstructure, identify "material structural weaknesses", assess the crack initiation、expansion of the micro cracks, deduce "microstructure virtual failure" behavior.
Advanced polymer matrix composites have found widespread application in the field of aviation and aerospace, because of its higher specific strength and specific stiffness, good design, good anti-fatigue fracture properties, corrosion resistance, good dimensional stability, as well as facilitating to form the overall shape. Advanced polymer matrix composits are the major components of the polymer, usually including thermoplastic resin and thermosetting resin two categories. Epoxy resin is one of the most common thermosetting resins, and there is a series of excellent material properties such as structure multiplicity, convenient solidification, strong adhesion, low shrinkage, good mechanical and electrical properties, and good chemical stability. But the biggest weakness of epoxy resin is poor toughness, impact resistance is bad, and easy to crack, hence epoxy resin need to be toughening modification when it is used to an high-performance composites of aviation. For epoxy resin-based composite microstructure of different phase structure manufactured with different ratio of TP/TS (Thermoplastic/Thermoset), We have characterized the phase structure of the toughened epoxy system according to experimental observation, by using of computer simulation methods, combined with experimental data that was provided by Beijing Institute of Aeronautical Materials, have studied the relationship between the composition ratio and particle size distribution、particle spacing, and have predicted the mechanical properties of resin-based composite materials such as elastic modulus, shear modulus, Poisson's ratio, impact toughness and fracture toughness by using of numerical simulation of finite element method.
Three-dimensional carbon-carbon braided composites, using a whole pieces of knitting as reinforcing material, without suture and mechanical processing, have good design of high material properties and good comprehensive performance indicators, such as higher strength, stiffness and better impact resistance, ablation resistance, etc. So it has been the general concern of the engineering sector, and become an essential material in the fields of aviation and aerospace. By means of design of three-dimensional carbon-carbon braided composite microstructure of the six-square, the four-square fasciculus. We characterized "repetitive unit cell" (RUC) of the different woven material microstructures, analyzed specific conditions of material microstructure, predicted material properties such as elastic modulus, tensile strength and coefficient of thermal expansion in different direction. On this basis, the impact of elastic modulus on braided composite microstructure including different types of defects which is characterized by material element of zero stiffness is studied.
引文
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