TY - JOUR
T1 - Computational Modeling of Nanoparticle Coalescence
AU - Grammatikopoulos, Panagiotis
AU - Sowwan, Mukhles
AU - Kioseoglou, Joseph
N1 - Publisher Copyright:
© 2019 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
PY - 2019/6/1
Y1 - 2019/6/1
N2 - The coalescence of nanoclusters fabricated in the gas phase is a fundamental growth mechanism determining cluster shapes, sizes, compositions, and structures, with resultant effects on practically all of their physical and chemical properties. Furthermore, coalescence can affect properties of larger structures that consist of nanoparticles as their elementary building blocks, such as the fractal dimension of cluster aggregates and the porosity and conductance of thin films. Therefore, it comes as no surprise that a great body of research, both experimental and theoretical, has focused on nanoparticle coalescence over the course of the past few decades. This review attempts to summarize the most important recent results from computational studies on nanoparticle coalescence and draw parallels between theoretical and experimental findings. The approach used here aspires to explain nanoparticle coalescence within the framework of a single intuitive narrative by integrating previous results obtained using various methods by the authors and others. Simultaneously, it is discussed where understanding and controlling (i.e., enhancing or inhibiting) nanoparticle coalescence can have great technological interest.
AB - The coalescence of nanoclusters fabricated in the gas phase is a fundamental growth mechanism determining cluster shapes, sizes, compositions, and structures, with resultant effects on practically all of their physical and chemical properties. Furthermore, coalescence can affect properties of larger structures that consist of nanoparticles as their elementary building blocks, such as the fractal dimension of cluster aggregates and the porosity and conductance of thin films. Therefore, it comes as no surprise that a great body of research, both experimental and theoretical, has focused on nanoparticle coalescence over the course of the past few decades. This review attempts to summarize the most important recent results from computational studies on nanoparticle coalescence and draw parallels between theoretical and experimental findings. The approach used here aspires to explain nanoparticle coalescence within the framework of a single intuitive narrative by integrating previous results obtained using various methods by the authors and others. Simultaneously, it is discussed where understanding and controlling (i.e., enhancing or inhibiting) nanoparticle coalescence can have great technological interest.
KW - atomistic simulation
KW - coalescence
KW - molecular dynamics
KW - nanoparticles
KW - sintering
UR - http://www.scopus.com/inward/record.url?scp=85065548056&partnerID=8YFLogxK
U2 - 10.1002/adts.201900013
DO - 10.1002/adts.201900013
M3 - 文献综述
AN - SCOPUS:85065548056
SN - 2513-0390
VL - 2
JO - Advanced Theory and Simulations
JF - Advanced Theory and Simulations
IS - 6
M1 - 1900013
ER -