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Controlled formation of nanostructures with desired geometries. 1. robust static structures / Earl O. P. Solis in Industrial & engineering chemistry research, Vol. 49 N° 17 (Septembre 1, 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 17 (Septembre 1, 2010) . - pp 7728–7745 Titre : Controlled formation of nanostructures with desired geometries. 1. robust static structures Type de document : texte imprimé Auteurs : Earl O. P. Solis, Auteur ; Paul I. Barton, Auteur ; George Stephanopoulos, Auteur Année de publication : 2010 Article en page(s) : pp 7728–7745 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Nanostructures  Geometries  Robust  Static. Résumé : An essential requirement for the fabrication of future electronic, magnetic, optical, and biologically based devices, composed of constituents at the nanometer length scale, is the precise positioning of constituents in the system’s physical domain. The desired nanostructure must be locally stable to a desired level of robustness, which is the basis for the static design problem described in this paper: systematic use of externally imposed controls, realized through point conditions that introduce attractive or repulsive interaction terms in the system potential energy, to ensure a robust desired structure. The locations of the point conditions are found through the solution of a minimum tiling problem. Given these locations, the point condition strengths are found through the solution of combinatorially constrained optimization problems. System ergodicity must be broken to isolate the desired structure from all competing structures in phase space. We illustrate these static problem solution methods with 1- and 2-dimensional example lattice model systems. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100066v [article] Controlled formation of nanostructures with desired geometries. 1. robust static structures [texte imprimé] / Earl O. P. Solis, Auteur ; Paul I. Barton, Auteur ; George Stephanopoulos, Auteur . - 2010 . - pp 7728–7745. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 17 (Septembre 1, 2010) . - pp 7728–7745 Mots-clés : Nanostructures  Geometries  Robust  Static. Résumé : An essential requirement for the fabrication of future electronic, magnetic, optical, and biologically based devices, composed of constituents at the nanometer length scale, is the precise positioning of constituents in the system’s physical domain. The desired nanostructure must be locally stable to a desired level of robustness, which is the basis for the static design problem described in this paper: systematic use of externally imposed controls, realized through point conditions that introduce attractive or repulsive interaction terms in the system potential energy, to ensure a robust desired structure. The locations of the point conditions are found through the solution of a minimum tiling problem. Given these locations, the point condition strengths are found through the solution of combinatorially constrained optimization problems. System ergodicity must be broken to isolate the desired structure from all competing structures in phase space. We illustrate these static problem solution methods with 1- and 2-dimensional example lattice model systems. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100066v

Controlled formation of nanostructures with desired geometries. 2. robust dynamic paths / Earl O. P. Solis in Industrial & engineering chemistry research, Vol. 49 N° 17 (Septembre 1, 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 17 (Septembre 1, 2010) . - pp 7746–7757 Titre : Controlled formation of nanostructures with desired geometries. 2. robust dynamic paths Type de document : texte imprimé Auteurs : Earl O. P. Solis, Auteur ; Paul I. Barton, Auteur ; George Stephanopoulos, Auteur Année de publication : 2010 Article en page(s) : pp 7746–7757 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Nanostructures  Geometries  Robust  Dynamic. Résumé : Part 2 of this series addresses the question of how to manipulate in time the positions and intensities of external controls so that a set of self-assembling nanoscale particles can always reach the nanostructure of desired geometry, starting from any random and unknown spatial distribution of the particles. It complements part 1 in which we examined how to position external controls and compute their intensities so that we can ensure that the final nanostructure with the desired geometry corresponds to a local potential energy minimum surrounded by sufficiently high energy barriers to ensure that the nanostructure is statistically robust, i.e., it remains at the desired geometry with an acceptably high probability. The proposed approach for the generation of robust dynamic self-assembly paths is based on a progressive reduction of the system phase space into subsets with progressively smaller numbers of locally allowable configurational states. In other words, it is based on a judicious progressive transition from ergodic to nonergodic subsystems. The subsets of allowable configurations in phase space are modeled by a wavelet-based spatial multiresolution view of the desired structure (in terms of the number of particles). This approach produces a prescription of the optimal control problem where the dynamic self-assembly of particles into the desired nanostructure is governed by the dynamic master equation of statistical mechanics. A genetic algorithm is used to solve the associated optimization problems at each time period and locate the position of the external controls in the physical domain, as well as their intensities over time. The approaches and methods are illustrated with 1- and 2-dimensional lattice example systems. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1000778 [article] Controlled formation of nanostructures with desired geometries. 2. robust dynamic paths [texte imprimé] / Earl O. P. Solis, Auteur ; Paul I. Barton, Auteur ; George Stephanopoulos, Auteur . - 2010 . - pp 7746–7757. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 17 (Septembre 1, 2010) . - pp 7746–7757 Mots-clés : Nanostructures  Geometries  Robust  Dynamic. Résumé : Part 2 of this series addresses the question of how to manipulate in time the positions and intensities of external controls so that a set of self-assembling nanoscale particles can always reach the nanostructure of desired geometry, starting from any random and unknown spatial distribution of the particles. It complements part 1 in which we examined how to position external controls and compute their intensities so that we can ensure that the final nanostructure with the desired geometry corresponds to a local potential energy minimum surrounded by sufficiently high energy barriers to ensure that the nanostructure is statistically robust, i.e., it remains at the desired geometry with an acceptably high probability. The proposed approach for the generation of robust dynamic self-assembly paths is based on a progressive reduction of the system phase space into subsets with progressively smaller numbers of locally allowable configurational states. In other words, it is based on a judicious progressive transition from ergodic to nonergodic subsystems. The subsets of allowable configurations in phase space are modeled by a wavelet-based spatial multiresolution view of the desired structure (in terms of the number of particles). This approach produces a prescription of the optimal control problem where the dynamic self-assembly of particles into the desired nanostructure is governed by the dynamic master equation of statistical mechanics. A genetic algorithm is used to solve the associated optimization problems at each time period and locate the position of the external controls in the physical domain, as well as their intensities over time. The approaches and methods are illustrated with 1- and 2-dimensional lattice example systems. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie1000778