晶粒取向对纳米颗粒烧结的影响
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- 英文论文题名：The influence of nano particles initial grain orientation on sintering
- 论文作者：王晓勉 ; 黄龙霄 ; 曹立军 ; 秦湘阁
- 英文论文作者：Xiao-mian Wang ; Long-xiao Huang ; Li-jun Cao ; Xiang-ge Qin ; School of Materials Science and Engineering ; Jiamusi University
- 年：2016
- 作者机构：佳木斯大学材料科学与工程学院;
- 论文关键词：晶粒取向 ; 分子动力学模拟 ; 晶界 ; Cu纳米颗粒
- 英文论文关键词：crystallographic orientation ; molecular dynamics simulation ; grain boundary ; nanoparticles
- 会议召开时间：2016-08-16
- 会议录名称：第十届全国材料科学与图像科技学术会议暨校地企产学研合作创新论坛论文摘要集
- 语种：中文
- 分类号：TF124.5
- 学会代码：EGTA
- 会议名称：第十届全国材料科学与图像科技学术会议暨校地企产学研合作创新论坛
- 会议地点：中国河南洛阳
- 主办单位：中国体视学学会材料科学分会、中国金属学会材料科学分会
- 学会名称：中国体视学学会
- 页数：13
- 文件大小：4533k
- 原文格式：O
- 会议级别：全国
摘要
粉末烧结是纳米材料加工成形中重要的技术环节,不仅决定材料的致密度和显微结构,而且对材料性能起着决定性作用。分子动力学模拟可以精确模拟纳米粉末烧结时的微观结构演化,加深对烧结微观机制的理解,为烧结工艺优化和烧结体性能预测提供基础。在烧结初期颗粒接触面形成晶界,晶界能的降低就成为烧结颈形成与长大后烧结继续进行的主要动力。初始颗粒的晶体学取向不同,在烧结初期形成的晶界类型不同,烧结颈的长大速率也将不同。本文运用分子动力学方法模拟了Cu纳米颗粒的烧结,建立了具有不同的晶体学取向的初始结构,研究了晶粒取向对模拟结果的影响,探讨了晶界在烧结过程中的作用。结果表明具有取向的初始结构在烧结过程中,晶界能大于不具有取向的初始结构,并且烧结颈扩大的更快,线收缩率也更大。
Powder sintering is an important technology in nano-structured materials processing,which determines the density and microstructure of materials and significantly affects the performance of materials.Molecular dynamics simulation can accurately model the microstructure evolution during nano powder sintering,wihch is helpful to understand the sintering mechanism and can provide the basis for optimization of sintering process and prediction the performance of sintering materials.At the beginning of the sintering,the contact boundary of particles forms grain boundary,the reduced part of grain boundary energy can provide driving force for sintering neck formation.Different crystallographic orientation of initial particles induces different grain boundary type at the beginning of the sintering,which yields different rate of growing of sintering neck.In this paper,Cu nanoparticles sintering is investigated through molecular dynamics simulation.Initial structures with different crystallographic orientation are estabilished to study the influence of the grain orientation on initial model.The role of grain boundary during sintering process are then discussed in details.Results show that initial structure with different crystallographic orientation has larger grain boundary energy,faster growing verlocity of sintering neck and greater line shrinkage rate than the initial structure with same crystallographic orientation.
Powder sintering is an important technology in nano-structured materials processing,which determines the density and microstructure of materials and significantly affects the performance of materials.Molecular dynamics simulation can accurately model the microstructure evolution during nano powder sintering,wihch is helpful to understand the sintering mechanism and can provide the basis for optimization of sintering process and prediction the performance of sintering materials.At the beginning of the sintering,the contact boundary of particles forms grain boundary,the reduced part of grain boundary energy can provide driving force for sintering neck formation.Different crystallographic orientation of initial particles induces different grain boundary type at the beginning of the sintering,which yields different rate of growing of sintering neck.In this paper,Cu nanoparticles sintering is investigated through molecular dynamics simulation.Initial structures with different crystallographic orientation are estabilished to study the influence of the grain orientation on initial model.The role of grain boundary during sintering process are then discussed in details.Results show that initial structure with different crystallographic orientation has larger grain boundary energy,faster growing verlocity of sintering neck and greater line shrinkage rate than the initial structure with same crystallographic orientation.
引文
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[9]Kuczynski G C.Self-Diffusion in Sintering of Metallic Particles[J].Transactions of the American Institute of Mining and Metallurgical Engineers,1949,185(2):169-178
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[2]吴茂,常玲玲,崔亚男,陈晓玮,何新波,曲选辉.纳米金颗粒熔化与烧结过程的分子动力学模拟[J].粉末冶金材料科学与工程,2013,06:775-782WU Mao,CHANG Ling-ling,CUI Ya-nan,CHEN Xiao-wei,HE Xin-bo,QU Xuan-hui.Molecular dynamics simulation of Au nanoparticles melting and sintering processes[j].Materials Science and Engineering of Powder Metallurgy,2013,06:775-782
[3]吴茂,常玲玲,崔亚男,陈晓玮,何新波,曲选辉.金纳米颗粒烧结的分子动力学模拟[J].北京科技大学学报,2014,03:345-353.WU Mao,CHANG Ling-ling,CUI Ya-nan,CHEN Xiao-wei;HE Xin-bo,QU Xuan-hui,Molecular dynamics simulation for the sintering process of Au nanoparticles[j],Journal of University of Science and Technology Beijing.2013,06:775-782
[4]Cheng B,Ngan A H W.The sintering and densification behaviour of many copper nanoparticles:A molecular dynamics study[J].Computational Materials Science,2013,74(74):1-11.
[5]Cheng B,Ngan A H W.The crystal structures of sintered copper nanoparticles:A molecular dynamics study[J].International Journal of Plasticity,2013,47:65-79.
[6]Kittel C.Introduction to solid state physics(M],Wiley-Interscience,NewYork,1986,8:35
[7]Smith C J.Metal reference book[M].Butterworths,London,1976,5:85-86
[8]Mishin Y,Mehl M J,Papaconstantopoulos D A,Voter A F.Structural stability and lattice defects in copper:Ab initio,tight-binding,and embedded-atom calculations[J].Phys.Rev.B,2001,63(22):4106-4122
[9]Kuczynski G C.Self-Diffusion in Sintering of Metallic Particles[J].Transactions of the American Institute of Mining and Metallurgical Engineers,1949,185(2):169-178
[10]Burke JE,Amer J,Ceram.Soc,1957,V.40,80
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