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Accelerating the Design of Functional Glasses through Modeling

Chemistry of materials, 2016-06, Vol.28 (12), p.4267-4277

2016

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Revisiting the Makishima–Mackenzie model for predicting the young's modulus of oxide glasses

Acta materialia, 2020-08, Vol.195, p.252-262

2020

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Impact of pressure on structure and properties of hot‐compressed Na2O–Al2O3–SiO2 glass by molecular dynamics simulations

Journal of the American Ceramic Society, 2021-06, Vol.104 (6), p.2530-2538

2021

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Permeability of porous ceramics by X-ray CT image analysis

Acta materialia, 2019-06, Vol.172, p.121-130

2019

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Predicting the dissolution kinetics of silicate glasses using machine learning

Journal of non-crystalline solids, 2018-05, Vol.487, p.37-45

2018

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Ring size distribution in silicate glasses revealed by neutron scattering first sharp diffraction peak analysis

Journal of non-crystalline solids, 2019-07, Vol.516 (C), p.71-81

2019

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Atomic-scale modeling of crack branching in oxide glass

Acta materialia, 2021-09, Vol.216, p.117098, Article 117098

2021

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Data‐driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities

Journal of the American Ceramic Society, 2019-11, Vol.102 (11), p.6385-6406

2019

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Structural origin of intrinsic ductility in binary aluminosilicate glasses

Journal of non-crystalline solids, 2016-11, Vol.452, p.297-306

2016

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Atomistic understanding of the network dilation anomaly in ion-exchanged glass

Journal of non-crystalline solids, 2012-01, Vol.358 (2), p.316-320

2012

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Origin of dynamical heterogeneities in calcium aluminosilicate liquids

The Journal of chemical physics, 2010-05, Vol.132 (19), p.194501-194501-9

2010

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Defect-mediated self-diffusion in calcium aluminosilicate glasses: A molecular modeling study

Journal of non-crystalline solids, 2011-04, Vol.357 (7), p.1780-1786

2011

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Competing Indentation Deformation Mechanisms in Glass Using Different Strengthening Methods

Frontiers in materials, 2016-11, Vol.3

2016

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Importance of C2 symmetry for the device performance of a newly synthesized family of fused-ring thiophenes

Chemistry of materials, 2010-03, Vol.22 (9), p.2770-2779

2010

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Molecular modeling of the thermal poling of sodium aluminosilicate glasses

Journal of non-crystalline solids, 2022-05, Vol.584, p.121524, Article 121524

2022

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Impact of pressure on structure and properties of hot‐compressed Na 2 O–Al 2 O 3 –SiO 2 glass by molecular dynamics simulations

Journal of the American Ceramic Society, 2021-06, Vol.104 (6), p.2530-2538

2021

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Crack nucleation criterion and its application to impact indentation in glasses

Scientific reports, 2016-04, Vol.6 (1), p.23720-23720, Article 23720

2016

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Scalable Synthesis of Fused Thiophene-Diketopyrrolopyrrole Semiconducting Polymers Processed from Nonchlorinated Solvents into High Performance Thin Film Transistors

Chemistry of materials, 2013-03, Vol.25 (5), p.782-789

2013

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Synthesis and Properties of Soluble Fused Thiophene Diketopyrrolopyrrole-Based Polymers with Tunable Molecular Weight

Macromolecules, 2018-12, Vol.51 (23), p.9422-9429

2018

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Modeling the thermal poling of glasses using molecular dynamics. Part 1: Effects on glass structure

Journal of non-crystalline solids, 2017-04, Vol.461, p.98-103

2017

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Elasticity of ion stuffing in chemically strengthened glass

Journal of non-crystalline solids, 2012-07, Vol.358 (12-13), p.1569-1574

2012

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Molecular dynamics simulations of ion-exchanged glass

Journal of non-crystalline solids, 2014-11, Vol.403, p.107-112

2014

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Modeling the thermal poling of glasses using molecular dynamics. Part 2: Effects on elastic properties

Journal of non-crystalline solids, 2017-07, Vol.468, p.17-26

2017

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Simulated Dilatometry and Static Deformation Prediction of Glass Transition and Mechanical Properties of Polyacetylene and Poly(para-phenylene vinylene)

Macromolecular theory and simulations, 2016-05, Vol.25 (3), p.238-253

2016

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Importance of C 2 Symmetry for the Device Performance of a Newly Synthesized Family of Fused-Ring Thiophenes

Chemistry of materials, 2010-05, Vol.22 (9), p.2770-2779

2010

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Accelerating the Design of Functional Glasses through Modeling

Revisiting the Makishima–Mackenzie model for predicting the young's modulus of oxide glasses

Impact of pressure on structure and properties of hot‐compressed Na2O–Al2O3–SiO2 glass by molecular dynamics simulations

Permeability of porous ceramics by X-ray CT image analysis

Predicting the dissolution kinetics of silicate glasses using machine learning

Ring size distribution in silicate glasses revealed by neutron scattering first sharp diffraction peak analysis

Atomic-scale modeling of crack branching in oxide glass

Data‐driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities

Structural origin of intrinsic ductility in binary aluminosilicate glasses

Atomistic understanding of the network dilation anomaly in ion-exchanged glass

Origin of dynamical heterogeneities in calcium aluminosilicate liquids

Defect-mediated self-diffusion in calcium aluminosilicate glasses: A molecular modeling study

Competing Indentation Deformation Mechanisms in Glass Using Different Strengthening Methods

Importance of C2 symmetry for the device performance of a newly synthesized family of fused-ring thiophenes

Molecular modeling of the thermal poling of sodium aluminosilicate glasses

Impact of pressure on structure and properties of hot‐compressed Na 2 O–Al 2 O 3 –SiO 2 glass by molecular dynamics simulations

Crack nucleation criterion and its application to impact indentation in glasses

Scalable Synthesis of Fused Thiophene-Diketopyrrolopyrrole Semiconducting Polymers Processed from Nonchlorinated Solvents into High Performance Thin Film Transistors

Synthesis and Properties of Soluble Fused Thiophene Diketopyrrolopyrrole-Based Polymers with Tunable Molecular Weight

Modeling the thermal poling of glasses using molecular dynamics. Part 1: Effects on glass structure

Elasticity of ion stuffing in chemically strengthened glass

Molecular dynamics simulations of ion-exchanged glass

Modeling the thermal poling of glasses using molecular dynamics. Part 2: Effects on elastic properties

Simulated Dilatometry and Static Deformation Prediction of Glass Transition and Mechanical Properties of Polyacetylene and Poly(para-phenylene vinylene)

Importance of C 2 Symmetry for the Device Performance of a Newly Synthesized Family of Fused-Ring Thiophenes

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