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Molecular Modeling of Mechanically Reliable Hybrid Organosilicate Materials.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Molecular Modeling of Mechanically Reliable Hybrid Organosilicate Materials./
Author:	Kilic, Karsu Ipek.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2021,
Description:	279 p.
Notes:	Source: Dissertations Abstracts International, Volume: 83-09, Section: B.
Contained By:	Dissertations Abstracts International83-09B.
Subject:	Silicon. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=29003874
ISBN:	9798209784661

Molecular Modeling of Mechanically Reliable Hybrid Organosilicate Materials.
Kilic, Karsu Ipek.

Molecular Modeling of Mechanically Reliable Hybrid Organosilicate Materials. - Ann Arbor : ProQuest Dissertations & Theses, 2021 - 279 p.

Source: Dissertations Abstracts International, Volume: 83-09, Section: B.

Thesis (Ph.D.)--Stanford University, 2021.

This item must not be sold to any third party vendors.

Hybrid organosilicate glass materials have unique properties and functionalities due to combining characteristics of organic and inorganic species which renders them a very appealing material choice for a wide range of current and emerging nanotechnologies in microelectronics, protective and antireflective coatings, flexible electronics, solar cell applications and many more. However, material innovations are needed to enhance the mechanical reliability of hybrid organosilicate materials which are inherently very brittle and fragile for their reliable use and integration in these device technologies.The focus of this thesis dissertation is to elucidate the fundamental structure-property relationships in hybrid organosilicate glasses through computational techniques; and ultimately establish a computational design space where the elastic and fracture properties of these materials are tuned through the proper exploitation of several of their structural features to enhance their mechanical reliability, which is evaluated in terms of elastic stiffness and fracture energy. Remarkably, it is shown that ultrastiff low density hybrid organosilicate networks with fracture energies comparable to fully dense silica can be generated with the use of hyperconnected hybrid organosilicate glass networks derived from cyclic and molecularly planar precursors.Furthermore, the structural features that lead to increased elastic and fracture properties help improve the mechanical reliability of hybrid organosilicate glasses under extreme temperature regimes, in the presence moisture and under nanoscale confinement, which is a significant step for the reliable service use and integration of hybrid organosilicate materials in next generation device technologies.

ISBN: 9798209784661Subjects--Topical Terms:

669429
Silicon.

Molecular Modeling of Mechanically Reliable Hybrid Organosilicate Materials.
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245 1 0 $a Molecular Modeling of Mechanically Reliable Hybrid Organosilicate Materials.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2021
300 $a 279 p.
500 $a Source: Dissertations Abstracts International, Volume: 83-09, Section: B.
500 $a Advisor: Cai, Wei;Dauskardt, Reinhold H. ;Gu, Wendy.
502 $a Thesis (Ph.D.)--Stanford University, 2021.
506 $a This item must not be sold to any third party vendors.
520 $a Hybrid organosilicate glass materials have unique properties and functionalities due to combining characteristics of organic and inorganic species which renders them a very appealing material choice for a wide range of current and emerging nanotechnologies in microelectronics, protective and antireflective coatings, flexible electronics, solar cell applications and many more. However, material innovations are needed to enhance the mechanical reliability of hybrid organosilicate materials which are inherently very brittle and fragile for their reliable use and integration in these device technologies.The focus of this thesis dissertation is to elucidate the fundamental structure-property relationships in hybrid organosilicate glasses through computational techniques; and ultimately establish a computational design space where the elastic and fracture properties of these materials are tuned through the proper exploitation of several of their structural features to enhance their mechanical reliability, which is evaluated in terms of elastic stiffness and fracture energy. Remarkably, it is shown that ultrastiff low density hybrid organosilicate networks with fracture energies comparable to fully dense silica can be generated with the use of hyperconnected hybrid organosilicate glass networks derived from cyclic and molecularly planar precursors.Furthermore, the structural features that lead to increased elastic and fracture properties help improve the mechanical reliability of hybrid organosilicate glasses under extreme temperature regimes, in the presence moisture and under nanoscale confinement, which is a significant step for the reliable service use and integration of hybrid organosilicate materials in next generation device technologies.
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