Probabilistic-topological theory of systems with discrete interactions: I. System representation by a hypergraph

1988 ◽  
Vol 66 (12) ◽  
pp. 1051-1060 ◽  
Author(s):  
Wlodzimierz Klonowski
Keyword(s):  
Structural Characteristics ◽  
Sol Gel ◽  
Membrane Receptors ◽  
Wormlike Micelles ◽  
Translational Symmetry ◽  
Structural Elements ◽  
A Posteriori ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Cellular Aggregates

The theory presented is applicable to any system with discrete interactions, i.e., one that lacks long-range crystal-like translational symmetry but is such that any of its structural elements interacts directly with only a finite (in most cases small) number of other elements, i.e., for materials such as cross-linked polymers, superpolymers (ferrofluids, wormlike micelles, colloidal necklaces), ceramics and glasses obtained by sol-gel processes, as well as for biophysical systems such as membrane receptors, cellular aggregates, neuronal branching patterns.The theory systematizes the information one needs to represent the system by a hypergraph, which then makes possible application of the so-called difference a posteriori (DAPOST) algorithm to calculate structural characteristics of the system and structure–property relationships. It is based on probabilistic and topological considerations; thus, it is applicable to systems far from thermodynamic equilibrium and to the analysis of spatiotemporal patterns.

scholarly journals Lithium-silicate sol–gel bioactive glass and the effect of lithium precursor on structure–property relationships

2016 ◽  
Vol 81 (1) ◽  
pp. 84-94 ◽  
Author(s):  
Anthony L. B. Maçon ◽  
Manon Jacquemin ◽  
Samuel J. Page ◽  
Siwei Li ◽  
Sergio Bertazzo ◽  
...  
Keyword(s):  
Bioactive Glass ◽  
Sol Gel ◽  
Lithium Silicate ◽  
Structure Property ◽  
Structure Property Relationships

scholarly journals Structure—Property Relationships in Sol—Gel-Derived Thin Films

1994 ◽  
pp. 104-121 ◽  
Author(s):  
C. J. Brinker ◽  
N. K. Raman ◽  
M. N. Logan ◽  
R. Sehgal ◽  
R. A. Assink ◽  
...  
Keyword(s):  
Thin Films ◽  
Sol Gel ◽  
Structure Property ◽  
Structure Property Relationships

Structure-Property Relationships for Polyimides Reinforced with the Sol-gel Derived Organosilicon Nanoparticles

2003 ◽  
Vol 11 (3) ◽  
pp. 213-218 ◽  
Author(s):  
V.P. Privalko ◽  
T.A. Shantalii ◽  
I.L. Karpova ◽  
K.S. Dragan ◽  
E.G. Privalko
Keyword(s):  
Sol Gel ◽  
Structure Property ◽  
Structure Property Relationships

scholarly journals Design, Synthesis, and Structure-Property Relationships of Er3+-Doped TiO2 Luminescent Particles Synthesized by Sol-Gel

Nanomaterials ◽  
2018 ◽  
Vol 8 (1) ◽  
pp. 20 ◽  
Author(s):  
Pablo Lopez-Iscoa ◽  
Diego Pugliese ◽  
Nadia Boetti ◽  
Davide Janner ◽  
Giovanni Baldi ◽  
...  
Keyword(s):  
Sol Gel ◽  
Structure Property ◽  
Design Synthesis ◽  
Doped Tio2 ◽  
Structure Property Relationships

Efficiently mapping structure–property relationships of gas adsorption in porous materials: application to Xe adsorption

2017 ◽  
Vol 201 ◽  
pp. 221-232 ◽  
Author(s):  
A. R. Kaija ◽  
C. E. Wilmer
Keyword(s):  
Porous Materials ◽  
Void Fraction ◽  
Large Scale ◽  
Gas Adsorption ◽  
Structural Characteristics ◽  
Gas Storage ◽  
Computational Method ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Computational Screening

Designing better porous materials for gas storage or separations applications frequently leverages known structure–property relationships. Reliable structure–property relationships, however, only reveal themselves when adsorption data on many porous materials are aggregated and compared. Gathering enough data experimentally is prohibitively time consuming, and even approaches based on large-scale computer simulations face challenges. Brute force computational screening approaches that do not efficiently sample the space of porous materials may be ineffective when the number of possible materials is too large. Here we describe a general and efficient computational method for mapping structure–property spaces of porous materials that can be useful for adsorption related applications. We describe an algorithm that generates random porous “pseudomaterials”, for which we calculate structural characteristics (e.g., surface area, pore size and void fraction) and also gas adsorption properties via molecular simulations. Here we chose to focus on void fraction and Xe adsorption at 1 bar, 5 bar, and 10 bar. The algorithm then identifies pseudomaterials with rare combinations of void fraction and Xe adsorption and mutates them to generate new pseudomaterials, thereby selectively adding data only to those parts of the structure–property map that are the least explored. Use of this method can help guide the design of new porous materials for gas storage and separations applications in the future.

Characterization of Metal-Oxide Nanoparticles: Synthesis and Dispersion in Polymeric Coatings

2002 ◽  
Vol 740 ◽  
Author(s):  
Li-Piin Sung ◽  
Stephanie Scierka ◽  
Mana Baghai-Anaraki ◽  
Derek L. Ho
Keyword(s):  
Metal Oxide ◽  
Metal Oxide Nanoparticles ◽  
Sol Gel ◽  
Polymeric Materials ◽  
Oxide Nanoparticles ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Yield Information ◽  
Sol Gel Synthesis

ABSTRACTMetal-oxide nanoparticles can be used to optimize UV absorption and to enhance the stiffness, toughness, and probably the service life of polymeric materials. Characterization of the nano- and microstructure dispersion of particles is necessary to optimize the structure-property relationships. Characterizations of both TiO2 particles dispersed in an acrylic-urethane matrix and TiO2 nanostructured films obtained through sol-gel synthesis are discussed. Experimental methods include microscopy (confocal, AFM) and small angle neutron scattering (SANS). Results from SANS experiments, which yield information about the cluster size of the nano-TiO2 particles and the spatial dispersion in various nanoparticle/polymer samples are presented and compared to the results of microscopy studies.

Optimization of Thermal Processing and Chemistry in the Fabrication of a PZT Based Mems Power Generator

2002 ◽  
Vol 718 ◽  
Author(s):  
B.W. Olson ◽  
J.L. Skinner ◽  
C.D. Richards ◽  
R.F. Richards ◽  
D.F. Bahr
Keyword(s):  
Lead Zirconate Titanate ◽  
Thermal Processing ◽  
Fatigue Behavior ◽  
Ferroelectric Properties ◽  
Sol Gel ◽  
Lead Zirconate ◽  
Structure Property ◽  
Power Generator ◽  
Structure Property Relationships ◽  
Pzt Film

AbstractThin films of lead zirconate titanate (PZT) are currently being used in a novel MEMS device to generate power. A piezoelectric stack consisting of platinum/PZT/gold is deposited by sputtering, spin coating, and subsequent heat treatments onto a thin silicon membrane, which is cyclically polarized by a flexing motion. The membrane must withstand strains between 0.1% and 0.5% for several billion cycles to provide a useful device. This study has examined the processing-structure-property relationships in developing the PZT film for use in this device. In the sol-gel deposition of PZT, pyrolysis and crystallization temperatures have been shown to alter both microstructure and properties of the piezoelectric film. The chemistry of the PZT film has also been tailored to increase piezoelectric output for this device. Ferroelectric properties are compared to the piezoelectric outputs, and fatigue behavior is measured on bulk silicon and on membranes.

Chalcogenide-based inorganic sodium solid electrolytes

2021 ◽  
Author(s):  
Huanhuan Jia ◽  
Linfeng Peng ◽  
Chuang Yu ◽  
Li Dong ◽  
Shijie Cheng ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid Electrolytes ◽  
Structural Characteristics ◽  
Electrochemical Stability ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Synthetic Routes

Chalcogenide-based ISSEs are summarized in view of the crystal structure. Structural characteristics, structure–property relationships, synthetic routes as well as chemical/electrochemical stability are systematically discussed in the review.

Optical Limiting in Fullerene Materials

1997 ◽  
Vol 479 ◽  
Author(s):  
B. Z. Tang ◽  
H. Peng ◽  
S. M. Leung ◽  
N.-T. Yu ◽  
H. Hiraoka ◽  
...  
Keyword(s):  
Sol Gel ◽  
Laser Pulses ◽  
Optical Limiting ◽  
Structure Property ◽  
Limiting Behavior ◽  
Fullerene Derivatives ◽  
Structure Property Relationships ◽  
Gel Glasses ◽  
Physical Blending ◽  
Fullerene Polymers

AbstractFullerene chemistry is booming, but how the chemical reactions affect fullerene's materials properties has seldom been studied. We have investigated optical limiting behavior of a series of fullerene derivatives, polymers, and glasses and have observed the following structure-property relationships for optical limiting in the fullerene materials: (i) The fullerene polymers with aromatic and chlorine moieties, i.e., C60-containing polycarbonate (C60-PC), polystyrene (C60- PS), and poly(vinyl chloride) (C60-PVC), limit the 8-ns pulses of 532-nm laser light more effectively than does the parent C60; (ii) the fullerene polymers with carbonyl groups, i.e., C60- containing CR-39 (C60-CR-39) and poly(methyl methacrylate), (C60-PMMA), do not enhance C60's limiting power; and (iii) the aminated fullerene derivatives, i.e., HxC60 (NHR)x [R = -(CH2CH2O)2H (1), x = 11; -(CH2)6OH (2), x = 7; -cyclo-C6H11 (3), x = 11; -(CH2)3Si(OC2H5)3 (4), x = 4], and their sol-gel glasses, i.e., 1–3/SiO2 (physical blending) and 4-SiO2 (chemical bonding), show complex limiting responses, with 4(-SiO2) performing consistently better than 1-3(/SiO2). The fullerene glasses are optically stable and their optical limiting properties remainunchanged after being subjected to continuous attack by the strong laser pulses for ca. 1 h.

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