Visualization of Potential Energy Function Using an Isoenergy Approach and 3D Prototyping

Autor/inn/en	Teplukhin, Alexander; Babikov, Dmitri
Titel	Visualization of Potential Energy Function Using an Isoenergy Approach and 3D Prototyping
Quelle	In: Journal of Chemical Education, 92 (2015) 2, S.305-309 (5 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	0021-9584
DOI	10.1021/ed500683g
Schlagwörter	Science Instruction; Visualization; Energy; College Science; Graduate Study; Chemistry; Hands on Science; Teaching Methods; Molecular Structure; Educational Technology; Technology Uses in Education; Manipulative Materials; Interaction; Computer Graphics; Wisconsin + Suchen Sie Ihr Suchwort? Teaching of science; Science education; Natural sciences Lessons; Naturwissenschaftlicher Unterricht; Visualisation; Visualisierung; Energie; Aufbaustudium; Graduiertenstudium; Hauptstudium; Chemie; Teaching method; Lehrmethode; Unterrichtsmethode; Unterrichtsmedien; Technology enhanced learning; Technology aided learning; Technologieunterstütztes Lernen; Hilfsmittel; Interaktion; Computergrafik
Abstract	In our three-dimensional world, one can plot, see, and comprehend a function of two variables at most, V(x,y). One cannot plot a function of three or more variables. For this reason, visualization of the potential energy function in its full dimensionality is impossible even for the smallest polyatomic molecules, such as triatomics. This creates some barrier to understanding the interaction of atoms in a molecule. It would be beneficial to see all features of the global potential energy function at the same time (which can include deep covalent wells, transition states, shallow van der Waals wells, and reaction channels) without fixing or relaxing some degrees of freedom. In this paper, we review the isoenergy approach that allows visualization of the potential energy function of a triatomic molecule in its full dimensionality in 3D space as a volume, not as a surface. Also, we propose the use of 3D-printing capabilities to create plastic models of such isoenergy objects that can be taken into hands and inspected in detail from any perspective. (As Provided).
Anmerkungen	Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Erfasst von	ERIC (Education Resources Information Center), Washington, DC
Update	2020/1/01