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Titolo:
Visualization techniques for 3D vector fields: an application to electrostatic fields of molecules
Autore:
Handa, S; Kashiwagi, H; Takada, T;
Indirizzi:
NEC Informat Syst Ltd, Tsukuba, Ibaraki 3058501, Japan NEC Informat Syst Ltd Tsukuba Ibaraki Japan 3058501 baraki 3058501, Japan
Titolo Testata:
JOURNAL OF VISUALIZATION AND COMPUTER ANIMATION
fascicolo: 3, volume: 12, anno: 2001,
pagine: 167 - 180
SICI:
1049-8907(200107)12:3<167:VTF3VF>2.0.ZU;2-B
Fonte:
ISI
Lingua:
ENG
Soggetto:
TOPOLOGY; FLOW;
Keywords:
3D vector field; selective visualization; topological skeleton; critical point; molecular graphics; stream function;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Engineering, Computing & Technology
Citazioni:
30
Recensione:
Indirizzi per estratti:
Indirizzo: Handa, S NEC Informat Syst Ltd, 34 Miyukigaoka, Tsukuba, Ibaraki 3058501, Japan NEC Informat Syst Ltd 34 Miyukigaoka Tsukuba Ibaraki Japan 3058501
Citazione:
S. Handa et al., "Visualization techniques for 3D vector fields: an application to electrostatic fields of molecules", J VIS COMP, 12(3), 2001, pp. 167-180

Abstract

In chemistry, computer graphics is now well established as a tool to interpret simulation results, since molecules are complicated in their structures and mutual interactions. As a probe to study such molecular interactions,electrostatic fields are considered to be useful. However, since they are given as 3D vector fields having cusps in the fields, conventional drawing techniques are not applicable. In this article, two new approaches are presented to visualize the electrostatic fields of molecules. One is an extension of topological skeletons, by which interactions between atoms having opposite charges are expressed, which is not shown with the conventional methods. The other is to define new functions called selective functions to select regions of interest only from the geometrical features of the fields. Furthermore, from the definition of the new functions, mathematical relationsbetween the topological skeletons and selective functions are discussed. An example is presented in applications to chemical reactions to show how the scheme is used. Copyright, (C) 2001 John Wiley & Sons, Ltd.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 24/01/20 alle ore 12:23:20