纳米多晶镍钨合金力学性能的分子动力学研究  

Molecular dynamics study on mechanical properties of nano-polycrystalline nickel-tungsten alloy

作　　者：周冰娆 毛莹 李荣斌[2] 臧志伟 厉勇[3] 吕知清[1] ZHOU Bingrao;MAO Ying;LI Rongbin;ZANG Zhiwei;LI Yong;L Zhiqing(Key Laboratory of Advanced Forging&Stamping Technology and Science(Yanshan University),Ministry of Education of China,Qinhuangdao,Hebei 066004,China;Shanghai Engineering Research Center of Hot Manufacturing,Shanghai Dianji University,Shanghai 200245,China;Special Steel Research Institute,Iron and Steel Research Institute,Beijing 100081,China)

机构地区：[1]燕山大学先进锻压成形技术与科学教育部重点实验室,河北秦皇岛066004 [2]上海电机学院上海大件热制造工程技术研究中心,上海200245 [3]钢铁研究总院特殊钢研究院,北京100081

出　　处：《燕山大学学报》2023年第1期28-34,共7页Journal of Yanshan University

基　　金：河北省重点研发计划资助项目(20311003D);河北省自然科学基金-高端钢铁冶金联合基金资助项目(E2020203034);上海大件热制造工程技术研究中心资助项目(18DZ2253400)。

摘　　要：为了研究钨原子分数与平均晶粒尺寸对镍钨合金纳米多晶力学性能的影响,本文运用分子动力学方法在10 K与300 K时对镍钨合金纳米多晶模型进行拉伸与剪切模拟,计算分析了不同钨原子分数(0%、5%、10%、15%、20%)的镍钨合金的抗拉强度、延伸率与抗剪切性能等力学性能,进一步研究了不同晶粒尺寸(2.4 nm、1.9 nm、1.5 nm)对镍钨合金多晶力学性能的影响。结果表明,当镍钨合金纳米多晶中钨原子分数为0%时,在10 K或者300 K时,平均晶粒尺寸小的镍钨合金纳米多晶抗拉强度大,但是抗剪切强度反而小;当镍钨合金纳米多晶中钨原子分数在0%~20%之间时,随着钨元素含量的增加,抗拉强度与抗剪强度也逐渐增大;当镍钨合金纳米多晶中钨原子分数在0%~15%之间时,温度为10 K或者300 K时,平均晶粒尺寸为1.5 nm的镍钨合金纳米多晶的延伸率大于平均晶粒尺寸为1.9 nm或者2.4 nm的镍钨合金纳米多晶的延伸率。In order to study the effect of tungsten atomic percentage and average grain size on the mechanical properties of nickel-tungsten alloy nanocrystalline,the molecular dynamics method is used to simulate the tensile and shear of nickel tnickel-tungsten nanopolycrystalline model at 10 K and 300 K.The mechanical properties such as tensile strength,elongation and shear resistance of nickel-tungsten alloys with different tungsten atomic percentages(0%,5%,10%,15%,20%)are analyzed and the effects of different grain sizes(2.4 nm,1.9 nm,1.5 nm)on the mechanical properties of nickel-tungsten alloy polycrystalline are further studied.The results show that when the tungsten atomic percentage in the nickel-tungsten alloy nanopolycrystalline is 0%,at 10 K or 300 K,the tensile strength of the nickel-tungsten alloy nanopolycrystalline with small average grain size is large,but the shear strength is small.When the tungsten atomic percentage in the nickel-tungsten alloy nanopolycrystalline is 0%~20%,the tensile strength and shear strength increase with the increase of tungsten content.When the tungsten atomic percentage in nickel-tungsten alloy nanopolycrystalline is 0%~15%and the temperature is 10 K or 300 K,the elongation of nickel-tungsten alloy nanopolycrystalline with average grain size of 1.5 nm is greater than that of nickel-tungsten alloy nanocrystalline with average grain size of 1.9 nm or 2.4 nm.

关 键 词：镍钨合金 纳米多晶 力学性能 分子动力学 

分 类 号：TG146.1[一般工业技术—材料科学与工程]