softmatter:Dzugutov Potential

From NSDL Materials Digital Library Wiki

Jump to: navigation, search

The Dzugutov potential is typically implemented to model metallic glass-formers. It is also used to model a dodecagonal quasicrystal, which the Dzugutov system forms from the melt under certain conditions. The functional form of the potential is


U(r) =A\left(r^{-m}-B\right)exp\left(\frac{c}{r-a}\right)\theta\left(a-r\right)+Bexp\left(\frac{d}{r-b}\right)\theta\left(b-r\right)

Here \theta\left(x\right) is the Heaviside function defined as


\theta\left(x\right)=\begin{cases} 1 & x \geq 0 \\
0 & otherwise
\end{cases}

Typically, the set of parameters A=5.82, B=1.280, a=1.87, b=1.94, c=1.10, d=0.27, and m=16 are used.

Personal tools

Kent State University NIST MIT University of Michigan Purdue Iowa State University