Relative importance of grain boundaries and size effects in thermal conductivity of nanocrystalline materials

被引:167
作者
Dong, Huicong [1 ]
Wen, Bin [1 ]
Melnik, Roderick [2 ]
机构
[1] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China
[2] Wilfrid Laurier Univ, M2NeT Lab, Waterloo, ON N2L 3C5, Canada
来源
SCIENTIFIC REPORTS | 2014年 / 4卷
基金
加拿大自然科学与工程研究理事会; 中国国家自然科学基金;
关键词
NONEQUILIBRIUM MOLECULAR-DYNAMICS; DIAMOND; TRANSPORT; CONDUCTANCE; RESISTANCE; SILICON;
D O I
10.1038/srep07037
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
A theoretical model for describing effective thermal conductivity (ETC) of nanocrystalline materials has been proposed, so that the ETC can be easily obtained from its grain size, single crystal thermal conductivity, single crystal phonon mean free path (PMFP), and the Kaptiza thermal resistance. In addition, the relative importance between grain boundaries (GBs) and size effects on the ETC of nanocrystalline diamond at 300 K has been studied. It has been demonstrated that with increasing grain size, both GBs and size effects become weaker, while size effects become stronger on thermal conductivity than GBs effects.
引用
收藏
页数:5
相关论文
共 34 条
[1]  
Abdi H., 2007, Encyclopedia of Measurement and Statistics, P651, DOI DOI 10.4135/9781412952644.N299
[2]   Thermal transport and grain boundary conductance in ultrananocrystalline diamond thin films [J].
Angadi, Maki A. ;
Watanabe, Taku ;
Bodapati, Arun ;
Xiao, Xingcheng ;
Auciello, Orlando ;
Carlisle, John A. ;
Eastman, Jeffrey A. ;
Keblinski, Pawel ;
Schelling, Patrick K. ;
Phillpot, Simon R. .
JOURNAL OF APPLIED PHYSICS, 2006, 99 (11)
[3]   Comparison of theoretical and simulation-based predictions of grain-boundary Kapitza conductance in silicon [J].
Aubry, Sylvie ;
Kimmer, Christopher J. ;
Skye, Ashton ;
Schelling, Patrick K. .
PHYSICAL REVIEW B, 2008, 78 (06)
[4]   Thermal transport across Twin Grain Boundaries in Polycrystalline Graphene from Nonequilibrium Molecular Dynamics Simulations [J].
Bagri, Akbar ;
Kim, Sang-Pil ;
Ruoff, Rodney S. ;
Shenoy, Vivek B. .
NANO LETTERS, 2011, 11 (09) :3917-3921
[5]   Nanostructured Bulk Silicon as an Effective Thermoelectric Material [J].
Bux, Sabah K. ;
Blair, Richard G. ;
Gogna, Pawan K. ;
Lee, Hohyun ;
Chen, Gang ;
Dresselhaus, Mildred S. ;
Kaner, Richard B. ;
Fleurial, Jean-Pierre .
ADVANCED FUNCTIONAL MATERIALS, 2009, 19 (15) :2445-2452
[6]   Nanoscale thermal transport [J].
Cahill, DG ;
Ford, WK ;
Goodson, KE ;
Mahan, GD ;
Majumdar, A ;
Maris, HJ ;
Merlin, R ;
Phillpot, SR .
JOURNAL OF APPLIED PHYSICS, 2003, 93 (02) :793-818
[7]   Thermal conductivity of diamond and related materials from molecular dynamics simulations [J].
Che, JW ;
Çagin, T ;
Deng, WQ ;
Goddard, WA .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (16) :6888-6900
[8]   Multiscale modeling of the thermal conductivity of polycrystalline silicon carbide [J].
Crocombette, Jean-Paul ;
Gelebart, Lionel .
JOURNAL OF APPLIED PHYSICS, 2009, 106 (08)
[9]   Periodic three-dimensional mesh generation for crystalline aggregates based on Voronoi tessellations [J].
Fritzen, Felix ;
Boehlke, Thomas ;
Schnack, Eckart .
COMPUTATIONAL MECHANICS, 2009, 43 (05) :701-713
[10]   THERMAL CONDUCTIVITY OF SILICON + GERMANIUM FROM 3 DEGREES K TO MELTING POINT [J].
GLASSBRENNER, CJ ;
SLACK, GA .
PHYSICAL REVIEW, 1964, 134 (4A) :1058-+