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Evidence for Jahn-Teller compression in the (Mg, Co, Ni, Cu, Zn)O entropy-stabilized oxide: A DFT study

Materials letters, 2018-04, Vol.217, p.300-303

2018

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Colloidal stability of modified nanodiamond particles

Diamond and related materials, 2009-04, Vol.18 (4), p.620-626

2009

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Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)

Journal of nuclear materials, 2015-06, Vol.461 (C), p.350-356

2015

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The Art and Science of an Analytic Potential

physica status solidi (b), 2000-01, Vol.217 (1), p.23-40

Brenner, D.W.

2000

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Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al–Pb alloys

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2010-03, Vol.527 (7), p.1769-1775

2010

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Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2008-10, Vol.493 (1), p.97-100

2008

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Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations

Carbon (New York), 1998, Vol.36 (1), p.1-9

1998

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Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments

Applied surface science, 2017-04, Vol.402 (C), p.108-113

2017

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Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb 3 AuGe 2 In 3

Philosophical magazine (Abingdon, England), 2015-07, Vol.95 (20), p.2167-2174

2015

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Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors

Journal of nuclear materials, 2019-12, Vol.526 (C), p.151773, Article 151773

2019

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Multiscale Modeling of Metal-Metal Contact Dynamics Under High Electromagnetic Stress: Timescales and Mechanisms for Joule Melting of Al-Cu Asperities

IEEE transactions on magnetics, 2009-01, Vol.45 (1), p.331-335

2009

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Tribological properties of polyalphaolefin oil modified with nanocarbon additives

Diamond and related materials, 2015-04, Vol.54, p.97-102

2015

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The stress–strain behavior of polymer–nanotube composites from molecular dynamics simulation

Composites science and technology, 2003-08, Vol.63 (11), p.1655-1661

2003

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Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3

Philosophical magazine (Abingdon, England), 2015-07, Vol.95 (20), p.2167-2174

2015

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Statistical and image analysis for characterizing simulated atomic-scale damage in crystals

Computational materials science, 2017-07, Vol.135, p.119-126

2017

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First-principles investigation of boron defects in nickel ferrite spinel

Journal of nuclear materials, 2014-09, Vol.452 (1-3), p.446-452

2014

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First principles calculations predict stable 50nm nickel ferrite particles in PWR coolant

Journal of nuclear materials, 2014-11, Vol.454 (1-3), p.77-80

2014

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Model for the influence of boron impurities on the morphology of AlN grown by physical vapor transport

Surface science, 2004-07, Vol.560 (1), p.L202-L206

2004

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Molecular dynamics simulations of the nanometer-scale mechanical properties of compressed Buckminsterfullerene

Thin solid films, 1991-12, Vol.206 (1), p.220-223

1991

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First-principles investigation of the structure and synergistic chemical bonding of Ag and Mg at the Al | Ω interface in a Al–Cu–Mg–Ag alloy

Acta materialia, 2009-07, Vol.57 (12), p.3522-3528

2009

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First-principles-based mesoscale modeling of the solute-induced stabilization of 〈1 0 0〉 tilt grain boundaries in an Al–Pb alloy

Acta materialia, 2011-10, Vol.59 (18), p.7022-7028

2011

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Understanding the Atomic-Level Chemistry and Structure of Oxide Deposits on Fuel Rods in Light Water Nuclear Reactors Using First Principles Methods

JOM (1989), 2016-11, Vol.68 (11), p.2912-2921

2016

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First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant

Journal of nuclear materials, 2014-11, Vol.454 (1-3), p.77-80

2014

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Theoretical assessment of bonaccordite formation in pressurized water reactors

Journal of nuclear materials, 2016-06, Vol.474, p.62-64

2016

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Deformation mechanisms of an Ω precipitate in a high-strength aluminum alloy subjected to high strain rates

Journal of materials research, 2011-02, Vol.26 (4), p.487-497

2011

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Evidence for Jahn-Teller compression in the (Mg, Co, Ni, Cu, Zn)O entropy-stabilized oxide: A DFT study

Colloidal stability of modified nanodiamond particles

Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)

The Art and Science of an Analytic Potential

Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al–Pb alloys

Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid

Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations

Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb 3 AuGe 2 In 3

Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors

Multiscale Modeling of Metal-Metal Contact Dynamics Under High Electromagnetic Stress: Timescales and Mechanisms for Joule Melting of Al-Cu Asperities

Tribological properties of polyalphaolefin oil modified with nanocarbon additives

The stress–strain behavior of polymer–nanotube composites from molecular dynamics simulation

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3

Statistical and image analysis for characterizing simulated atomic-scale damage in crystals

First-principles investigation of boron defects in nickel ferrite spinel

First principles calculations predict stable 50nm nickel ferrite particles in PWR coolant

Model for the influence of boron impurities on the morphology of AlN grown by physical vapor transport

Molecular dynamics simulations of the nanometer-scale mechanical properties of compressed Buckminsterfullerene

First-principles investigation of the structure and synergistic chemical bonding of Ag and Mg at the Al | Ω interface in a Al–Cu–Mg–Ag alloy

First-principles-based mesoscale modeling of the solute-induced stabilization of 〈1 0 0〉 tilt grain boundaries in an Al–Pb alloy

Understanding the Atomic-Level Chemistry and Structure of Oxide Deposits on Fuel Rods in Light Water Nuclear Reactors Using First Principles Methods

First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant

Theoretical assessment of bonaccordite formation in pressurized water reactors

Deformation mechanisms of an Ω precipitate in a high-strength aluminum alloy subjected to high strain rates

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