In
computational geometry, the cone algorithm is an
algorithm
In mathematics and computer science, an algorithm () is a finite sequence of rigorous instructions, typically used to solve a class of specific problems or to perform a computation. Algorithms are used as specifications for performing ...
for identifying the particles that are near the surface of an object composed of discrete particles. Its applications include computational
surface science
Surface science is the study of physical and chemical phenomena that occur at the interface of two phases, including solid–liquid interfaces, solid– gas interfaces, solid– vacuum interfaces, and liquid– gas interfaces. It includes t ...
and computational
nano science
Nanotechnology, also shortened to nanotech, is the use of matter on an atomic, molecular, and supramolecular scale for industrial purposes. The earliest, widespread description of nanotechnology referred to the particular technological goal of ...
. The cone algorithm was first described in a publication about
nanogold in 2005.
The cone algorithm works well with clusters in condensed phases, including solid and liquid phases. It can handle the situations when one configuration includes multiple clusters or when holes exist inside clusters. It can also be applied to a cluster iteratively to identify multiple sub-surface layers.
References
* Yanting Wang, S. Teitel, and
Christoph Dellago Christoph is a male given name and surname. It is a German variant of Christopher.
Notable people with the given name Christoph
* Christoph Bach (1613–1661), German musician
* Christoph Büchel (born 1966), Swiss artist
* Christoph Dientzenhofe ...
(2005)
Melting of Icosahedral Gold Nanoclusters from Molecular Dynamics Simulations ''Journal of Chemical Physics'' vol. 122, pp 214722–214738. {{doi, 10.1063/1.1917756
External links
Yanting Wang.
Molecular modelling software
Geometric algorithms