Observatorio de I+D+i UPM

Descripción
The identification of the interfacial molecules in fluid-fluid equilibrium is a long-standing problem in the area of simulation. We here propose an alternative point of view, making use of concepts taken from the field of computational geometry, where the definition of the ¿shape¿ of a set of points is a well-known problem. In particular, we employ the -shape construction which, applied to the positions of the molecules, selects a shape and identifies its boundary points, which we will take to define our interfacial molecules. A single parameter needs to be fixed the ¿ ¿ of the shape, and several proposals are examined, all leading to very similar choices. Results of this methodology are evaluated against previous proposals, and seen to be reasonable.
Internacional	Si
JCR del ISI	Si
Título de la revista	PHYSICAL REVIEW E
ISSN	1539-3755
Factor de impacto JCR	2,508
Información de impacto
Volumen	79
DOI
Número de revista	0
Desde la página	4670
Hasta la página	4670
Mes	ABRIL
Ranking

Esta actividad pertenece a memorias de investigación

• Autor: Daniel Duque Campayo (UPM)

• Creador: Departamento: Enseñanzas Básicas de la Ingeniería Naval