Interfacial mixing during annealing of zinc oxide nanoparticle junctions

被引:9
作者
Hu, Ming [1 ]
Giapis, Konstantinos P. [2 ]
Poulikakos, Dimos [1 ]
机构
[1] Swiss Fed Inst Technol, Lab Thermodynam Emerging Technol, Dept Mech & Proc Engn, CH-8092 Zurich, Switzerland
[2] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA
关键词
MOLECULAR-DYNAMICS; ATOMISTIC SIMULATIONS; CUBIC STRUCTURE; ZNO; TRANSFORMATIONS; MODEL;
D O I
10.1063/1.3593487
中图分类号
O59 [应用物理学];
学科分类号
摘要
The process of forming a junction between crystalline zinc oxide (ZnO) nanoparticles during pulsed thermal annealing in liquid tetradecane is studied using molecular dynamics simulation. Pairs of equal and unequal size particles are considered with emphasis on neck growth and atom mixing. The contact area and interface width of the junction are found to increase with heat pulse power albeit at different rates. The results suggest that it is possible to increase the junction area without significant mixing of atoms across the junction interface by tailoring the heat pulse power. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3593487]
引用
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页数:3
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共 19 条
[1]  
[Anonymous], PHYS REV A
[2]   On the coalescence of gold nanoparticles [J].
Arcidiacono, S ;
Bieri, NR ;
Poulikakos, D ;
Grigoropoulos, CP .
INTERNATIONAL JOURNAL OF MULTIPHASE FLOW, 2004, 30 (7-8) :979-994
[3]   A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES [J].
CORNELL, WD ;
CIEPLAK, P ;
BAYLY, CI ;
GOULD, IR ;
MERZ, KM ;
FERGUSON, DM ;
SPELLMEYER, DC ;
FOX, T ;
CALDWELL, JW ;
KOLLMAN, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (19) :5179-5197
[4]   Molecular-dynamics simulations of ion size effects on the fluid structure of aqueous electrolyte systems between charged model electrodes [J].
Crozier, PS ;
Rowley, RL ;
Henderson, D .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (17) :7513-7517
[5]   Analytic bond-order potential for atomistic simulations of zinc oxide [J].
Erhart, Paul ;
Juslin, Niklas ;
Goy, Oliver ;
Nordlund, Kai ;
Mueller, Ralf ;
Albe, Karsten .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (29) :6585-6605
[6]   Theoretical investigation of size and shape effects on the melting temperature of ZnO nanostructures [J].
Guisbiers, G. ;
Pereira, S. .
NANOTECHNOLOGY, 2007, 18 (43)
[7]   Recrystallization of picosecond laser-melted ZnO nanoparticles in a liquid: A molecular dynamics study [J].
Hu, Ming ;
Poulikakos, Dimos ;
Grigoropoulos, Costas P. ;
Pan, Heng .
JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (16)
[8]   Phase transformations during sintering of titania nanoparticles [J].
Koparde, Vishal N. ;
Cummings, Peter T. .
ACS NANO, 2008, 2 (08) :1620-1624
[9]  
NGUYEN NH, 2011, J NANOPART RES, V13, P803
[10]   Geometry and electronic structure of [0001]/((1)over-bar(2)over-bar30) Σ=7 symmetric tilt boundary in ZnO [J].
Oba, F ;
Tanaka, I ;
Nishitani, SR ;
Adachi, H ;
Slater, B ;
Gay, DH .
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 2000, 80 (07) :1567-1581