By a News Reporter-Staff News Editor at Physics Week -- A new study on Nanoparticles is now available. According to news reporting from Miyagi, Japan, by VerticalNews journalists, research stated, "We have developed a molecular dynamics (MD) simulation method to investigate the sintering of nickel nanoparticles in the nickel and yttria-stabilized zirconia (Ni/YSZ) anode of a solid oxide fuel cell (SOFC). The conventional sintering model consists of only two or three nickel nanoparticles."
The news correspondents obtained a quote from the research from Tohoku University, "Therefore, it does not reflect the properties of the porous structure of the Ni/YSZ anode or reproduce realistic sintering. Our Ni/YSZ multi-nanoparticle MD simulation method uses a multi-nanoparticle model based on the porosity and are packed randomly in the simulation cell, and compressed to achieve the correct porosity. Furthermore, because the reliable potential parameters for MD simulation between nickel and YSZ have not been reported, we determine reliable interatomic potential parameters between nickel and YSZ by using the nonlinear least-squares method to fit the Morse potential function to interaction energies obtained by density functional theory. The sintering simulation using our Ni/YSZ multi-nanoparticle model and out potential parameters reveal that the YSZ nanoparticle framework suppresses the sintering of nickel nanoparticles by disrupting the growth of the neck between two nickel nanoparticles. The previously reported model of two nickel nanoparticles did not produce these results."
According to the news reporters, the research concluded: "Our multi-nanoparticle MD simulation method is effective for investigating the realistic sintering process in the porous structure of the Ni/YSZ anode and for designing durable anode structures for SOFCs."
For more information on this research see: Molecular Dynamics Simulation of Ni Nanoparticles Sintering Process in Ni/YSZ Multi-Nanoparticle System. Journal of Physical Chemistry C, 2013;117(19):9663-9672. Journal of Physical Chemistry C can be contacted at: Amer Chemical Soc, 1155 16TH St, NW, Washington, DC 20036, USA. (American Chemical Society - www.acs.org; Journal of Physical Chemistry C - www.pubs.acs.org/journal/jpccck)
Our news journalists report that additional information may be obtained by contacting J.X. Xu, Tohoku University, FRRI, Grad Sch Engn, Aoba Ku, Sendai, Miyagi 9808579, Japan.
Keywords for this news article include: Asia, Japan, Miyagi, Nickel, Physics, Nanotechnology, Molecular Dynamics, Transition Elements, Emerging Technologies
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