基于分子动力学与响应面优化Fe_(x)C_(y)微观力学性能研究  

Fe_(x)C_(y) micro-mechanical properties based on response surface methodology and molecular dynamics

作　　者：卫立新 高玲 吕世宁 高有山[3] WEI Lixin;GAO Ling;LÜShining;GAO Youshan(Department of Mechanical Engineering,Shanxi Institute of Technology,Yangquan 045000,Shanxi,China;School of Materials Science and Engineering,University of Science and Technology Beijing,Beijing 100083,China;School of Mechanical Engineering,Taiyuan University of Science and Technology,Taiyuan 030024,Shanxi,China)

机构地区：[1]山西工程技术学院机械工程系,山西阳泉045000 [2]北京科技大学材料科学与工程学院,北京100083 [3]太原科技大学机械工程学院,山西太原030024

出　　处：《钢铁钒钛》2025年第1期184-191,共8页Iron Steel Vanadium Titanium

基　　金：山西省自然科学基金(20210302123217);山西省专利推广实施资助专项(20171064);山西省研究生实践创新项目(2023SJ257)。

摘　　要：探究了不同碳钢材料在不同温度下的力学性能响应状况,采用分子动力学建立仿真模型,通过三因素多水平正交试验和响应面法建立回归模型,研究C含量、空位比以及温度对杨氏模量E和屈服强度Q的影响。在相同的C含量和空位比条件下,利用Matlab的随机函数建立了50个模型,每种试验条件进行50次仿真。统计杨氏模量和屈服极限的中位数作为反应材料力学性能的关键参数,建立响应面回归模型。通过随机选取10组仿真试验验证,成功地探究了不同因素对碳钢力学性能的影响规律,得到了材料力学参数的可靠数学模型,并对材料成分组成进行了优化设计。This research is to investigate the mechanical properties of different carbon steel materials at different temperatures.The simulation model was established by using molecular dynamics,and the regression model was established by the three-factor multi-level orthogonal test and response surface method to study the effects of C content,vacancy ratio and temperature on Young’s modulus and yield strength.Under the same C content and vacancy ratio conditions,50 models were established by using the random function of Matlab,and each test condition was simulated 50 times.The median of Young’s modulus and yield limit were used as key parameters of the mechanical properties of the reaction materials,and the response surface regression model was established.By randomly selecting 10 groups of simulation experiments,this study successfully explored the influence of different factors on the mechanical properties of carbon steels,obtaining a reliable mathematical model of materials mechanical parameters,and optimizing the composition of materials.

关 键 词：分子动力学 影响面分析 杨氏模量 屈服强度 

分 类 号：TF76[冶金工程—钢铁冶金] TF044