【作者】 高彩茹； 陈宇轩； 杜林秀； 朱成林； 柴志松； 王皓天；

【Author】 Gao Cairu;Chen Yuxuan;Du Linxiu;Zhu Chenglin;Chai Zhisong;Wang Haotian;The State Key Lab of Rolling Technology and Automation, Northeastern University;

【机构】 东北大学轧制技术及连轧自动化国家重点实验室；

【摘要】 通过实验与第一性原理计算研究了Mo对V钢贝氏体区析出的影响。实验研究结果表明:在析出的初期阶段,Mo的存在抑制了VC的析出,而当等温时间延长后,Mo提高了VC的析出量和抗粗化能力。第一性原理计算结果表明:在V钢中引入Mo元素的同时会提高V钢中的空位数量,而VC析出行为将由Mo和空位所共同影响。通过对不同Mo含量和空位含量的VC的形成能、界面能进行计算得到:Mo原子和空位的引入可降低VC的形成能,增加其稳定性;Mo和空位的存在还可降低VC与Fe基体间界面能,有利于提高VC的析出量和抗粗化能力。更多还原

【Abstract】 The effect of molybdenum on vanadium carbide precipitation has been investigated by both experiment and first-principles calculations. The experimental results show that the presence of Mo inhibits the precipitation of VC during the initial stage of precipitation, and increases the precipitation and anti-coarsening ability of VC when the isothermal time is prolonged. The first principle results show that the introduction of Mo element in V steel can increase the number of vacancies in V steel, and the VC precipitation behavior will be affected by Mo and vacancy in common. By calculating the formation energy, lattice constant and interfacial energy of VC under different Mo and vacancy contents, conclusions are drawn as following: the introduction of Mo increases the formation energy of VC, which improve the stability of precipitates; meanwhile, the introduction of Mo can also reduce the interface energy of VC with matrix, which conducive to increasing the amount of precipitation and anti-coarsening ability.更多还原