ITLMCSDScientific Applications  Visualization Group
Scientific Visualization
Attractive Image NIST
 
Up Visualization Parallel Computing Data Mining Released Software

Visualization of Nanostructures



Nanostructure modeling is the computation of the positions and orbitals of atoms in arbitrary nanostructures.


Accurate atomic-scale quantum theory of nanostructures and nanosystems fabricated from nanostructures enables precision metrology of these nanosystems and provides the predictive, precision modeling tools needed for engineering these systems for applications including advanced semiconductor lasers and detectors, single photon sources and detectors, biosensors, and nanoarchitectures for quantum coherent technologies such as quantum computing. The tight-binding model based upon the Linear Combination of Atomic Orbitals (LCAO) method provides an accurate atomistic theory for nanostructures.


The visualizations are studied interactively in the NIST immersive environment. This provides a detailed view of the structures and the atomic scale variation of the calculated nanostructure properties.


The parallel code outputs the positions of the atoms and the orbitals. This information is converted to objects via the glyph toolbox. These objects are then transformed to the savg format and read into OpenGL Performer[tm] for display.



(bullet) Parallel Algorithms and Implementation: James S. Sims , Howard K. Hung , Julien Franiatte
(bullet) Collaborating Scientist: Garnett Bryant
(bullet) Visualization: Steven G. Satterfield , Adele Peskin , Julien Franiatte
(bullet) Group Leader: Judith E. Terrill


Figure 1: Atoms (top) with Orbitals (bottom).
Figure 1: Atoms (top) with Orbitals (bottom).
Figure 2: Concentric spheres.
Figure 2: Concentric spheres.
Figure 3: Pyramid.
Figure 3: Pyramid.

Figure 4: Movie exploring structure of atoms with orbitals.

(bullet) Quicktime (96 MB)


Privacy Policy | Disclaimer | FOIA
NIST is an agency of the U.S. Commerce Department.
Date created: 2002-02-19, Last updated: 2008-07-05.
Contact