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Anomalous diffusion along metal/ceramic interfaces

Nature communications, 2018-12, Vol.9 (1), p.5251-8, Article 5251

2018

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Bismuth embrittlement of copper is an atomic size effect

Nature, 2004-12, Vol.432 (7020), p.1008-1011

2004

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Atomistic force field for alumina fit to density functional theory

The Journal of chemical physics, 2013-11, Vol.139 (20), p.204704-204704

2013

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The diffusion of doxorubicin drug molecules in silica nanoslits is non-Gaussian, intermittent and anticorrelated

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (48), p.27955-27965

2020

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Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC

Physical review. B, Condensed matter and materials physics, 2015-06, Vol.91 (21), Article 214311

2015

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The Structure of Grain Boundaries in Strontium Titanate: Theory, Simulation, and Electron Microscopy

Annual review of materials research, 2010-06, Vol.40 (1), p.557-599

2010

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A stabilization mechanism of zirconia based on oxygen vacancies only

Acta materialia, 2002-12, Vol.50 (20), p.5171-5178

2002

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Structure of multilayer ZrO2/SrTiO3

Journal of materials science, 2012-02, Vol.47 (4), p.1631-1640

2012

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Spontaneous Frenkel pair formation in zirconium carbide

Physical review. B, 2018-11, Vol.98 (17), p.174116, Article 174116

2018

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The role of ceramic and glass science research in meeting societal challenges: Report from an NSF‐sponsored workshop

Journal of the American Ceramic Society, 2017-05, Vol.100 (5), p.1777-1803

2017

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Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions

Journal of physics. Condensed matter, 2005-06, Vol.17 (23), p.L223-L230

2005

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Fast anharmonic free energy method with an application to vacancies in ZrC

Physical review. B, 2019-07, Vol.100 (2), p.1, Article 024303

2019

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New methods for calculating the free energy of charged defects in solid electrolytes

Journal of physics. Condensed matter, 2013-10, Vol.25 (39), p.395001-395001

2013

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Relative energetics and structural properties of zirconia using a self-consistent tight-binding model

Physical review. B, Condensed matter, 2000-03, Vol.61 (10), p.6617-6630

2000

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Ab initio calculations on the Al2O3(0001) surface

Faraday discussions, 1999, Vol.114, p.33-43

1999

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Atomistic study of structural correlations at a liquid–solid interface

Computational materials science, 2002-07, Vol.24 (4), p.443-452

2002

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Surface stoichiometry and the initial oxidation of NiAl(110)

Physical review letters, 2000-07, Vol.85 (3), p.610-613

2000

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Structure and ionic diffusivity in an yttria-stabilised zirconia/strontium titanate multilayer

Acta materialia, 2017-05, Vol.129, p.388-397

2017

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An Isothermal-Isobaric Langevin Thermostat for Simulating Nanoparticles under Pressure: Application to Au Clusters

Chemphyschem, 2005-09, Vol.6 (9), p.1848-1852

2005

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Stability of Zr-Al-C and Ti-Al-C MAX phases: A theoretical study

Physical review materials, 2021-03, Vol.5 (3), Article 033608

2021

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Electrostatic and Entropic Interactions between Parallel Interfaces Separated by a Glassy Film

Journal of the American Ceramic Society, 2002-10, Vol.85 (10), p.2562-2568

2002

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SrTiO3(001)(2×1) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

Physical review. B, Condensed matter and materials physics, 2004-08, Vol.70 (8), p.085415.1-085415.12

2004

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Structural and electronic properties of Σ7 grain boundaries in α-Al2O3

Acta materialia, 2015-10, Vol.99, p.16-28

2015

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Electronic structure of α − Al 2 O 3 grain boundaries containing reactive element segregants

Physical review materials, 2022-09, Vol.6 (9), Article 093402

2022

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Diffusion of oxygen in Mg-doped α − Al 2 O 3 : The corundum conundrum explained

Physical review materials, 2022-06, Vol.6 (6), Article 063404

2022

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Anomalous diffusion along metal/ceramic interfaces

Bismuth embrittlement of copper is an atomic size effect

Atomistic force field for alumina fit to density functional theory

The diffusion of doxorubicin drug molecules in silica nanoslits is non-Gaussian, intermittent and anticorrelated

Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC

The Structure of Grain Boundaries in Strontium Titanate: Theory, Simulation, and Electron Microscopy

A stabilization mechanism of zirconia based on oxygen vacancies only

Structure of multilayer ZrO2/SrTiO3

Spontaneous Frenkel pair formation in zirconium carbide

The role of ceramic and glass science research in meeting societal challenges: Report from an NSF‐sponsored workshop

Stability of Sr adatom model structures for SrTiO3(001) surface reconstructions

Fast anharmonic free energy method with an application to vacancies in ZrC

New methods for calculating the free energy of charged defects in solid electrolytes

Relative energetics and structural properties of zirconia using a self-consistent tight-binding model

Ab initio calculations on the Al2O3(0001) surface

Atomistic study of structural correlations at a liquid–solid interface

Surface stoichiometry and the initial oxidation of NiAl(110)

Structure and ionic diffusivity in an yttria-stabilised zirconia/strontium titanate multilayer

An Isothermal-Isobaric Langevin Thermostat for Simulating Nanoparticles under Pressure: Application to Au Clusters

Stability of Zr-Al-C and Ti-Al-C MAX phases: A theoretical study

Electrostatic and Entropic Interactions between Parallel Interfaces Separated by a Glassy Film

SrTiO3(001)(2×1) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

Structural and electronic properties of Σ7 grain boundaries in α-Al2O3

Electronic structure of α − Al 2 O 3 grain boundaries containing reactive element segregants

Diffusion of oxygen in Mg-doped α − Al 2 O 3 : The corundum conundrum explained

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