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\section{Introduction}  \subsection{Scope} \subsection{Motivations}  Nanoparticles are particles clustered together clusters of atoms or molecules  with the size of 1 to 100 nanometers. Well-defined shapes Numerous properties  ofmetal  nanoparticles such as cube \cite{Im_2005}, octahedron \cite{Xia_2012}, icosahedron \cite{Xiong_2007}, triangular plate \cite{Lofton_2005} are found to depend on their size \cite{Roduner_2006}  and five-fold twinned pentagonal wire \cite{Tsuji_2008} can be synthesized in the colloidal system. A comprehensive review of shape-controlled solution-phase synthesis of metal nanoparticles is given in the reference shape  \cite{Xia_2008}. Although there numerous efforts The ability  to solidify control  the nucleation size  and growth mechanisms shape  of these syntheses \cite{Lofton_2005,Mariscal_2012,Park_2013,Viswanath_2009,Liao_2014,Chang_2011,Murph_2015}, these mechanisms still remain elusive due nanoparticles allows their properties  tothe lack of atomic resolution and quantitative data. This proposal describes how atomistic-scale simulation can  be used to probe the nucleation and growth mechanisms. tailored towards specific applications.  \subsection{Motivations} \subsection{Scope}  Numerous properties Well-defined shapes  of metal  nanoparticles are found to depend on their size \cite{Roduner_2006} such as cube \cite{Im_2005}, octahedron \cite{Xia_2012}, icosahedron \cite{Xiong_2007}, triangular plate \cite{Lofton_2005}  and shape five-fold twinned pentagonal wire \cite{Tsuji_2008} can be synthesized in the colloidal system. A comprehensive review of shape-controlled solution-phase synthesis of metal nanoparticles is given in the reference  \cite{Xia_2008}. The ability Although there numerous efforts  to control solidify  the size nucleation  and shape growth mechanisms  of nanoparticles allows their properties these syntheses \cite{Lofton_2005,Mariscal_2012,Park_2013,Viswanath_2009,Liao_2014,Chang_2011,Murph_2015}, these mechanisms still remain elusive due  to the lack of atomic resolution and quantitative data. This proposal describes how atomistic-scale simulation can  be tailored towards specific applications. used to probe the nucleation and growth mechanisms.  \subsection{Research objective}