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Title: Design of Ultrastiff Organosilicate Hybrid Glasses

Abstract

Abstract Hyperconnected hybrid organosilicate glass networks formed by hyperstiff precursor molecules with certain geometrical characteristics can lead to exceptional elastic properties superior to that of fully dense silica. Carbon‐ and silicon‐containing precursors with defined molecular planarity are introduced and a new design strategy where both the network connectivity and the precursor geometry are effectively utilized to enhance elastic properties is proposed. The geometrical features rendering a precursor molecule as hyperstiff are identified through molecular dynamics simulations and constraint analyses by calculating the degree of nonaffine deformations. Nonaffine deformations have not been previously examined for organosilicate hybrid glass networks and are a fundamental new approach to reveal the combined impact of precursor geometry and connectivity on the mechanical behavior of hybrid glass networks.

Authors:
 [1]; ORCiD logo [1]
  1. Stanford Univ., CA (United States). Dept. of Materials Science and Engineering
Publication Date:
Research Org.:
Stanford Univ., CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1800465
Alternate Identifier(s):
OSTI ID: 1558721
Grant/Contract Number:  
FG02-07ER46391
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 44; Journal ID: ISSN 1616-301X
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Kilic, Karsu I., and Dauskardt, Reinhold H. Design of Ultrastiff Organosilicate Hybrid Glasses. United States: N. p., 2019. Web. doi:10.1002/adfm.201904890.
Kilic, Karsu I., & Dauskardt, Reinhold H. Design of Ultrastiff Organosilicate Hybrid Glasses. United States. https://doi.org/10.1002/adfm.201904890
Kilic, Karsu I., and Dauskardt, Reinhold H. Sun . "Design of Ultrastiff Organosilicate Hybrid Glasses". United States. https://doi.org/10.1002/adfm.201904890. https://www.osti.gov/servlets/purl/1800465.
@article{osti_1800465,
title = {Design of Ultrastiff Organosilicate Hybrid Glasses},
author = {Kilic, Karsu I. and Dauskardt, Reinhold H.},
abstractNote = {Abstract Hyperconnected hybrid organosilicate glass networks formed by hyperstiff precursor molecules with certain geometrical characteristics can lead to exceptional elastic properties superior to that of fully dense silica. Carbon‐ and silicon‐containing precursors with defined molecular planarity are introduced and a new design strategy where both the network connectivity and the precursor geometry are effectively utilized to enhance elastic properties is proposed. The geometrical features rendering a precursor molecule as hyperstiff are identified through molecular dynamics simulations and constraint analyses by calculating the degree of nonaffine deformations. Nonaffine deformations have not been previously examined for organosilicate hybrid glass networks and are a fundamental new approach to reveal the combined impact of precursor geometry and connectivity on the mechanical behavior of hybrid glass networks.},
doi = {10.1002/adfm.201904890},
journal = {Advanced Functional Materials},
number = 44,
volume = 29,
place = {United States},
year = {Sun Aug 25 00:00:00 EDT 2019},
month = {Sun Aug 25 00:00:00 EDT 2019}
}

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Works referenced in this record:

Rigidity Transition in Materials: Hardness is Driven by Weak Atomic Constraints
journal, March 2015

  • Bauchy, Mathieu; Qomi, Mohammad Javad Abdolhosseini; Bichara, Christophe
  • Physical Review Letters, Vol. 114, Issue 12
  • DOI: 10.1103/PhysRevLett.114.125502

Floppy Modes and Nonaffine Deformations in Random Fiber Networks
journal, September 2006


Cryogenic plasmas for controlled processing of nanoporous materials
journal, January 2011

  • Iacopi, Francesca; Choi, Jai Hyuk; Terashima, Kazuo
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 9
  • DOI: 10.1039/c0cp02660c

Mechanical characterization of porous nano-thin films by use of atomic force acoustic microscopy
journal, March 2016


Mechanical properties and fracture toughness of organo-silicate glass (OSG) low-k dielectric thin films for microelectronic applications
journal, January 2003

  • Vella, J. B.; Adhihetty, I. S.; Junker, K.
  • International Journal of Fracture, Vol. 119/120, Issue 4-2
  • DOI: 10.1023/A:1024944316369

Atmospheric Plasma Deposited Dense Silica Coatings on Plastics
journal, December 2012

  • Cui, Linying; Ranade, Alpana N.; Matos, Marvi A.
  • ACS Applied Materials & Interfaces, Vol. 4, Issue 12
  • DOI: 10.1021/am301723d

Investigation of plasma etch damage to porous oxycarbosilane ultra low- k dielectric
journal, June 2013


Distinct regimes of elastic response and deformation modes of cross-linked cytoskeletal and semiflexible polymer networks
journal, December 2003


Dynamical Heterogeneities in a Supercooled Lennard-Jones Liquid
journal, October 1997


Local structure controls the nonaffine shear and bulk moduli of disordered solids
journal, January 2016

  • Schlegel, M.; Brujic, J.; Terentjev, E. M.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep18724

Short-ranged structural rearrangement and enhancement of mechanical properties of organosilicate glasses induced by ultraviolet radiation
journal, March 2006

  • Iacopi, F.; Travaly, Y.; Eyckens, B.
  • Journal of Applied Physics, Vol. 99, Issue 5
  • DOI: 10.1063/1.2178393

Predicting the Macroscopic Fracture Energy of Epoxy Resins from Atomistic Molecular Simulations
journal, December 2016


Effect of Bridging and Terminal Alkyl Groups on Structural and Mechanical Properties of Porous Organosilicate Films
journal, January 2017

  • Nenashev, R.; Wang, Yingjie; Liu, Chunhui
  • ECS Journal of Solid State Science and Technology, Vol. 6, Issue 10
  • DOI: 10.1149/2.0071710jss

Monte Carlo study of multiply crosslinked semiflexible polymer networks
journal, November 2008


Anthraquinone and anthrone series: Part XI. Steric hindrance in dibenzanthronyls and dibenzanthrones
journal, October 1953

  • Padhye, M. R.; Rao, N. R.; Venkataraman, K.
  • Proceedings of the Indian Academy of Sciences - Section A, Vol. 38, Issue 4
  • DOI: 10.1007/BF03045259

“Bending to Stretching” Transition in Disordered Networks
journal, June 2007


Molecular Network Reinforcement of Sol–Gel Glasses
journal, November 2007


Energy landscape and rigidity
journal, February 2005


Stiffest elastic networks
journal, April 2014

  • Gurtner, Gérald; Durand, Marc
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 470, Issue 2164
  • DOI: 10.1098/rspa.2013.0611

Nonaffine Displacements in Flexible Polymer Networks
journal, March 2011

  • Basu, Anindita; Wen, Qi; Mao, Xiaoming
  • Macromolecules, Vol. 44, Issue 6
  • DOI: 10.1021/ma1026803

Toward Successful Integration of Porous Low-k Materials: Strategies Addressing Plasma Damage
journal, October 2014

  • Lionti, K.; Volksen, W.; Magbitang, T.
  • ECS Journal of Solid State Science and Technology, Vol. 4, Issue 1
  • DOI: 10.1149/2.0081501jss

Stiffening of organosilicate glasses by organic cross-linking
journal, January 2011


Molecular Origins of the Mechanical Behavior of Hybrid Glasses
journal, July 2010

  • Oliver, Mark S.; Dubois, Geraud; Sherwood, Mark
  • Advanced Functional Materials, Vol. 20, Issue 17
  • DOI: 10.1002/adfm.201000558

Elastic and thermal expansion asymmetry in dense molecular materials
journal, June 2016

  • Burg, Joseph A.; Dauskardt, Reinhold H.
  • Nature Materials, Vol. 15, Issue 9
  • DOI: 10.1038/nmat4674

The Effects of Terminal Groups on Elastic Asymmetries in Hybrid Molecular Materials
journal, October 2017

  • Burg, Joseph A.; Dauskardt, Reinhold H.
  • The Journal of Physical Chemistry B, Vol. 121, Issue 41
  • DOI: 10.1021/acs.jpcb.7b09615

Disorder, pre-stress and non-affinity in polymer 8-chain models
journal, April 2016

  • Cioroianu, Adrian R.; Spiesz, Ewa M.; Storm, Cornelis
  • Journal of the Mechanics and Physics of Solids, Vol. 89
  • DOI: 10.1016/j.jmps.2016.01.014

Low Dielectric Constant Materials
journal, January 2010

  • Volksen, Willi; Miller, Robert D.; Dubois, Geraud
  • Chemical Reviews, Vol. 110, Issue 1
  • DOI: 10.1021/cr9002819

Hyperconnected molecular glass network architectures with exceptional elastic properties
journal, October 2017


Topological soft matter: Kagome lattices with a twist
journal, July 2012


Affine and non-affine deformations quantified in cytoskeletal networks through three-dimensional form-finding model
journal, August 2017

  • Wang, Yifan; Gong, Jinghai; Wirtz, Denis
  • Journal of the Mechanical Behavior of Biomedical Materials, Vol. 72
  • DOI: 10.1016/j.jmbbm.2017.04.015

Topology of covalent non-crystalline solids I: Short-range order in chalcogenide alloys
journal, October 1979


Reversibly erasable nanoporous anti-reflection coatings from polyelectrolyte multilayers
journal, September 2002

  • Hiller, Jeri'Ann; Mendelsohn, Jonas D.; Rubner, Michael F.
  • Nature Materials, Vol. 1, Issue 1
  • DOI: 10.1038/nmat719

Hybrid low dielectric constant thin films for microelectronics
journal, March 2014


Influence of CH 2 content and network defects on the elastic properties of organosilicate glasses
journal, February 2011


High-Modulus Spin-On Organosilicate Glasses for Nanoporous Applications
journal, March 2007


Local Deformation of Glasses is Mediated by Rigidity Fluctuation on Nanometer Scale
journal, August 2018


Inhomogeneous Elastic Response of Silica Glass
journal, July 2006


Ordered mesoporous molecular sieves synthesized by a liquid-crystal template mechanism
journal, October 1992

  • Kresge, C. T.; Leonowicz, M. E.; Roth, W. J.
  • Nature, Vol. 359, Issue 6397, p. 710-712
  • DOI: 10.1038/359710a0

Nonaffine rubber elasticity for stiff polymer networks
journal, September 2007


Anthraquinone and anthrone series: Part XIV. 1-Amino-3-chloroanthraquinone
journal, December 1953

  • Joshi, B. S.; Parkash, N.; Venkataraman, K.
  • Proceedings of the Indian Academy of Sciences - Section A, Vol. 38, Issue 6
  • DOI: 10.1007/bf03045266

Disorder, pre-stress and non-affinity in polymer 8-chain models
text, January 2015


Energy landscape and rigidity
text, January 2004


Floppy modes and non-affine deformations in random fiber networks
text, January 2006


Nonaffine rubber elasticity for stiff polymer networks
text, January 2007