金属熔体特征温度的分子动力学模拟-材料加工工程专业论文.docxVIP

优秀毕业论文 精品参考文献资料 研究生优秀毕业论文 Study Study on the Characteristic Temperatures of Metal Melt by Molecular Dynamic Simulation Method Discipline：Materials Processing Engineering Student Signatu re：X 渊门讯 ＼J Supervisor Signature： 了·、M z砌场钐 Abstract The influence of super—heated temperature and cooling rate on homogeneous nucleation undercooling and microstructure evolution of fcc·-AI and bcc·-Fe metals is investigated in detail during the solidification processing by using the method of molecular dynamics simulation．The main conclusions are drawn as follows： When the A1 melt solidifies at the cooling rate of 1×1 01 K／s，homogeneous nucleation undercooling increases gradually with increasing super-heated temperature and it tends to be a constant value as the initial temperature iS higher t11an certain value．The maximum homogeneous nucleation undercooling for Al melt reaches 388 K．As the Fe melt solidifies at the cooling rate of 1×101 K／s，homogeneous nucleation undercooling increases firstly and then turns to be steady with the increase of the initial temperature increasing．The simulated results indicate that the maximum homogeneous nucleation undercooling is found to be 847 K forFe melt． The A1 melt is solidified from 1437 K to 50 K under different cooling rates and is relaxed at 50 K．When the cooling rate is less than 1 012一K／s，a mixed crystalline structure composed of fcc and hcp structure can be found in the as—solidified microstructure．As the cooling rate is larger than 1015 oK／s，amorphous structure is formed．Additionally，a mixture structure consisting of crystalline and amorphous structure is found to coexist for the AI melt solidified at cooling speed ranging from 1012·5 K／s to 1015一K／s．The critical cooling rate to form ideal amorphous of AI melt is estimated to be 1 014 K／s，which is in accordance with that calculated from theoretical approach． Fe melt is solidified from 2 1 69．6 K to 50 K under the condition of different cooling rates， and relaxed at 50K．