粉末固相烧结的数值模拟和理论问题研究
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摘要
固相烧结是陶瓷材料制备过程中最为关键的一步,对产品性能起着决定性作用。本文首先阐述了粉末固相烧结研究的重要意义,概述了不同烧结阶段的经典烧结理论。从物理机制、理论模型、研究方法等方面对本领域国内外研究现状进行了总结。改进和完善了固相烧结的蒙特卡罗方法和相场动力学模型,以此为基础对不稳定颈长、大孔收缩过程等典型烧结理论问题进行了研究。结合同步辐射CT (SR-CT)原位观测实验,对烧结模型作了进一步讨论,建立了基于SR-CT实验的二维、三维计算模型。通过实验和模拟结果的对比分析,提高了烧结数值模型的可靠性和实用性,实现了对真实烧结过程的预测。主要研究内容和创新之处为：
1、改进和完善了经典固相烧结模型,通过引入多种烧结机制和动态守恒算法,解决了蒙特卡罗算法中的质量不守恒等问题,首次实现了固相烧结的三维相场模拟。
对固相烧结微结构演化过程的计算模型进行了改进和优化。讨论了经典蒙特卡罗算法在质量不守恒、烧结机制过少等方面的不足。通过多种烧结机制的引入和动态守恒算法的运用,改进和完善蒙特卡罗模型。分析了相场模型中应力场作用下颗粒的刚体平动和转动。通过谱方法和GPU并行计算平台的引入大幅提高了相场法的计算效率,从而实现了固相烧结的三维相场模拟。结合经典烧结理论,定量分析了改进后的烧结模型,验证了模型的可靠性。
2、揭示了不稳定颈长和大孔收缩过程中的微结构演化机理,研究了颗粒排布对不稳定颈长的影响和导致颗粒的旋转的烧结机理,分析了大孔收缩过程中控制孔隙形貌和孔隙收缩速度的关键物理机制。
基于完善后的烧结模型对两个经典理论问题进行了研究：不稳定颈长问题和大孔收缩过程。通过对三颗粒模型的研究,证明即使颗粒的形状和接触部位完全对称,特殊的颗粒排布也会导致不稳定颈长的出现。研究了双半球模型的不稳定颈长过程,结果表明晶界应力场对颗粒的旋转过程起主导作用,而不能完全用于烧结颈的生长。研究了三维大孔收缩过程,证明了主导扩散机制主要控制孔隙形貌,而晶界应力是导致大孔收缩的主要因素。研究结果完善了经典烧结理论。
3、首次实现了基于在线实验的同步数值模拟研究,建立了与原位实验同步的二维、三维固相烧结模型,实现了对实际烧结过程中的微结构演化和烧结参数的准确预测。
建立了基于同步辐射CT实验的二维蒙特卡罗模型。通过从晶粒生长动力学角度对数值模型的分析,讨论了关键参数表面能和晶界能比值Jss/Jsv的确定方法,对比分析了实验和模拟得到的微结构演化过程和晶粒生长指数。首次实现了基于同步辐射CT实验的三维相场模型。分析了计算得到的三维结构,与同步辐射CT实验得到的三维重建结果进行了对比。定量分析了实验和模拟结果,验证了模型的可靠性并大幅提高了数值计算模型的实用性和预测能力。
本文通过对烧结模型的改进和优化,对典型的烧结理论问题进行了完善。建立了基于同步辐射CT实验的二维、三维烧结模型。通过理论、实验、模拟的相互验证和支持,实现了对实际烧结过程的预测。
Solid-phase sintering is the most crucial step during the preparation of ceramic materials, and it plays a decisive role on the performance of product. The significance of powders'solid-phase sintering was described. An overview of the classic sintering theories on the different sintering stages was introduced. The research status of the area is summarized from the physical mechanism, theoretical models, research methods, and other aspects. The Monte Carlo method and the phase-field dynamic model of solid-phase sintering are improved. Based on this, some typical sintered theoretical issues such as the unstable neck growth and the large pore contraction process are researched. The sintering model was further discussed using the in situ synchrotron radiation CT (SR-CT) experiment. The establishment of a two-dimensional, three-dimensional computational model based on the SR-CT experiment is carried out. By comparative analysis of experiment and simulation results, the reliability and availability of the sintered numerical model are improved; the prediction of actual sintering process is realized.
1. The computing models of the microstructure evolution during solid-phase sintering are improved. The deficiencies of classic Monte Carlo algorithm are discussed, such as not conserved in the quality, and the sintering mechanism is not enough. The dynamic conservation algorithms and a variety of sintering mechanism are introduced, improve and perfect the Monte Carlo model. A three-dimensional solid-phase sintering phase field simulation is achieved for the first time In the international arena. Particles rigid body translational and rotational in the stress field is analyzed. By spectral method and GPU parallel computing platform, a substantial increase in the computational efficiency of the phase-field method is carried out. Classical sintering theory and quantitative analysis of the improved sintering model verified the reliability of the model.
2. Two classical sintering theory are researched based on the improved models: the unstable neck growth and large pore contraction process. By researching the three-particle model, it is verified that even if the shape of the particles and the contact portion is completely symmetrical, the special particle arrangement will lead to the emergence of unstable neck growth. The double hemisphere model is used to research the unstable neck long process. The results show that the grain boundary stress field during rotation of the particles plays a dominant role. The3D large pore contraction proved dominant diffusion mechanism controlled pore morphology; grain boundary stress is a major factor leading to the large pore contraction. The research, results improve the classical sintering theory.
3. Two-dimensional Monte Carlo model based on synchrotron radiation CT experiment are realized. Grain growth kinetics analysis of the numerical model is carried out to discuss the method for determining the key parameters-ratio of surface energy and grain boundary energy (Jss/Jsv). The comparative analysis of the experimental and simulated microstructure evolution and grain growth index is finished. A three-dimensional phase-field model based on synchrotron radiation CT experiment for the first time. The three-dimensional structure obtained from the simulation is analyzed and compared with synchrotron radiation CT three-dimensional reconstruction of the experimental results. The quantitative analysis of the experimental and simulation results verified the reliability of the model. The usefulness and predictive ability of the numerical model are dramatically increased.
In this paper, the improvement and optimization of the sintering model are achieved. Some typical sintering theoretical issues are improved. Two-dimensional, three-dimensional sintering model based on synchrotron radiation CT experiment are established. A prediction of the actual sintering process is achieved through mutual authentication by theory, experiment, and simulation.
1、改进和完善了经典固相烧结模型,通过引入多种烧结机制和动态守恒算法,解决了蒙特卡罗算法中的质量不守恒等问题,首次实现了固相烧结的三维相场模拟。
对固相烧结微结构演化过程的计算模型进行了改进和优化。讨论了经典蒙特卡罗算法在质量不守恒、烧结机制过少等方面的不足。通过多种烧结机制的引入和动态守恒算法的运用,改进和完善蒙特卡罗模型。分析了相场模型中应力场作用下颗粒的刚体平动和转动。通过谱方法和GPU并行计算平台的引入大幅提高了相场法的计算效率,从而实现了固相烧结的三维相场模拟。结合经典烧结理论,定量分析了改进后的烧结模型,验证了模型的可靠性。
2、揭示了不稳定颈长和大孔收缩过程中的微结构演化机理,研究了颗粒排布对不稳定颈长的影响和导致颗粒的旋转的烧结机理,分析了大孔收缩过程中控制孔隙形貌和孔隙收缩速度的关键物理机制。
基于完善后的烧结模型对两个经典理论问题进行了研究：不稳定颈长问题和大孔收缩过程。通过对三颗粒模型的研究,证明即使颗粒的形状和接触部位完全对称,特殊的颗粒排布也会导致不稳定颈长的出现。研究了双半球模型的不稳定颈长过程,结果表明晶界应力场对颗粒的旋转过程起主导作用,而不能完全用于烧结颈的生长。研究了三维大孔收缩过程,证明了主导扩散机制主要控制孔隙形貌,而晶界应力是导致大孔收缩的主要因素。研究结果完善了经典烧结理论。
3、首次实现了基于在线实验的同步数值模拟研究,建立了与原位实验同步的二维、三维固相烧结模型,实现了对实际烧结过程中的微结构演化和烧结参数的准确预测。
建立了基于同步辐射CT实验的二维蒙特卡罗模型。通过从晶粒生长动力学角度对数值模型的分析,讨论了关键参数表面能和晶界能比值Jss/Jsv的确定方法,对比分析了实验和模拟得到的微结构演化过程和晶粒生长指数。首次实现了基于同步辐射CT实验的三维相场模型。分析了计算得到的三维结构,与同步辐射CT实验得到的三维重建结果进行了对比。定量分析了实验和模拟结果,验证了模型的可靠性并大幅提高了数值计算模型的实用性和预测能力。
本文通过对烧结模型的改进和优化,对典型的烧结理论问题进行了完善。建立了基于同步辐射CT实验的二维、三维烧结模型。通过理论、实验、模拟的相互验证和支持,实现了对实际烧结过程的预测。
Solid-phase sintering is the most crucial step during the preparation of ceramic materials, and it plays a decisive role on the performance of product. The significance of powders'solid-phase sintering was described. An overview of the classic sintering theories on the different sintering stages was introduced. The research status of the area is summarized from the physical mechanism, theoretical models, research methods, and other aspects. The Monte Carlo method and the phase-field dynamic model of solid-phase sintering are improved. Based on this, some typical sintered theoretical issues such as the unstable neck growth and the large pore contraction process are researched. The sintering model was further discussed using the in situ synchrotron radiation CT (SR-CT) experiment. The establishment of a two-dimensional, three-dimensional computational model based on the SR-CT experiment is carried out. By comparative analysis of experiment and simulation results, the reliability and availability of the sintered numerical model are improved; the prediction of actual sintering process is realized.
1. The computing models of the microstructure evolution during solid-phase sintering are improved. The deficiencies of classic Monte Carlo algorithm are discussed, such as not conserved in the quality, and the sintering mechanism is not enough. The dynamic conservation algorithms and a variety of sintering mechanism are introduced, improve and perfect the Monte Carlo model. A three-dimensional solid-phase sintering phase field simulation is achieved for the first time In the international arena. Particles rigid body translational and rotational in the stress field is analyzed. By spectral method and GPU parallel computing platform, a substantial increase in the computational efficiency of the phase-field method is carried out. Classical sintering theory and quantitative analysis of the improved sintering model verified the reliability of the model.
2. Two classical sintering theory are researched based on the improved models: the unstable neck growth and large pore contraction process. By researching the three-particle model, it is verified that even if the shape of the particles and the contact portion is completely symmetrical, the special particle arrangement will lead to the emergence of unstable neck growth. The double hemisphere model is used to research the unstable neck long process. The results show that the grain boundary stress field during rotation of the particles plays a dominant role. The3D large pore contraction proved dominant diffusion mechanism controlled pore morphology; grain boundary stress is a major factor leading to the large pore contraction. The research, results improve the classical sintering theory.
3. Two-dimensional Monte Carlo model based on synchrotron radiation CT experiment are realized. Grain growth kinetics analysis of the numerical model is carried out to discuss the method for determining the key parameters-ratio of surface energy and grain boundary energy (Jss/Jsv). The comparative analysis of the experimental and simulated microstructure evolution and grain growth index is finished. A three-dimensional phase-field model based on synchrotron radiation CT experiment for the first time. The three-dimensional structure obtained from the simulation is analyzed and compared with synchrotron radiation CT three-dimensional reconstruction of the experimental results. The quantitative analysis of the experimental and simulation results verified the reliability of the model. The usefulness and predictive ability of the numerical model are dramatically increased.
In this paper, the improvement and optimization of the sintering model are achieved. Some typical sintering theoretical issues are improved. Two-dimensional, three-dimensional sintering model based on synchrotron radiation CT experiment are established. A prediction of the actual sintering process is achieved through mutual authentication by theory, experiment, and simulation.
引文
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