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Multimillion Atom Simulations of Dynamics of Oxidation of an Aluminum Nanoparticle and Nanoindentation on Ceramics

The journal of physical chemistry. B, 2006-03, Vol.110 (8), p.3727-3733

2006

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Unconditionally Gradient Stable Time Marching the Cahn-Hilliard Equation

MRS proceedings, 1998, Vol.529, Article 39

Eyre, David J.

1998

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Oxidation of aluminum nanoclusters

Physical review. B, Condensed matter and materials physics, 2005-05, Vol.71 (20), p.205413.1-205413.14, Article 205413

2005

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Dynamics of Oxidation of Aluminum Nanoclusters using Variable Charge Molecular-Dynamics Simulations on Parallel Computers

Physical review letters, 1999-06, Vol.82 (24), p.4866-4869

1999

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Nanoindentation-induced amorphization in silicon carbide

Applied physics letters, 2004-07, Vol.85 (3), p.378-380

2004

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ATOMISTIC ASPECTS OF CRACK PROPAGATION IN BRITTLE MATERIALS: Multimillion Atom Molecular Dynamics Simulations

Annual Review of Materials Research, 2002-01, Vol.32 (1), p.377-400

2002

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Brittle dynamic fracture of crystalline cubic silicon carbide (3C-SiC) via molecular dynamics simulation

Journal of applied physics, 2005-11, Vol.98 (10), p.103524-103524-4

2005

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Rapid in vitro multiplication and conservation of Garcinia indica: A tropical medicinal tree species

Scientia horticulturae, 2005-11, Vol.106 (4), p.539-553

2005

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Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory

Computer physics communications, 2005-05, Vol.167 (3), p.151-164

2005

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Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: design, analysis, and scalability test of parallel algorithms

Computer physics communications, 2001-11, Vol.140 (3), p.303-314

2001

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Atomistic mechanisms for wurtzite-to-rocksalt structural transformation in cadmium selenide under pressure

Physical review. B, Condensed matter and materials physics, 2004-11, Vol.70 (18), p.184111.1-184111.6, Article 184111

2004

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Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers

Computer physics communications, 2001-08, Vol.138 (2), p.143-154

2001

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Short- and intermediate-range structural correlations in amorphous silicon carbide: A molecular dynamics study

Physical review. B, Condensed matter and materials physics, 2004-07, Vol.70 (4), p.045207.1-045207.11, Article 045207

2004

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Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers

The Journal of chemical physics, 2004-09, Vol.121 (9), p.4323-4330

2004

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Molecular dynamics simulation of structural transformation in silicon carbide under pressure

Physical review letters, 2000-04, Vol.84 (15), p.3338-3341

2000

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Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals

Surface science, 2005-03, Vol.579 (1), p.47-57

2005

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Nanoindentation of silicon nitride: A multimillion-atom molecular dynamics study

Applied physics letters, 2003-01, Vol.82 (1), p.118-120

2003

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Environmental effects of H2O on fracture initiation in silicon: A hybrid electronic-density-functional/molecular-dynamics study

Journal of applied physics, 2004-05, Vol.95 (10), p.5316-5323

2004

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Multiple grains in nanocrystals: Effect of initial shape and size on transformed structures under pressure

Physical review letters, 2004-11, Vol.93 (20), p.203401.1-203401.4, Article 203401

2004

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Hybrid quantum mechanical/molecular dynamics simulation on parallel computers: density functional theory on real-space multigrids

Computer physics communications, 2002-11, Vol.149 (1), p.30-38

2002

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Crack Front Propagation and Fracture in a Graphite Sheet: A Molecular-Dynamics Study on Parallel Computers

Physical review letters, 1997-03, Vol.78 (11), p.2148-2151

1997

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Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: a parallel molecular dynamics simulation

The Journal of chemical physics, 2004-09, Vol.121 (11), p.5427-5433

2004

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Scalable and portable implementation of the fast multipole method on parallel computers

Computer physics communications, 2003-07, Vol.153 (3), p.445-461

2003

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Coupling length scales for multiscale atomistics-continuum simulations: atomistically induced stress distributions in Si/Si3N4 nanopixels

Physical review letters, 2001-08, Vol.87 (8), p.086104-086104

2001

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Multimillion Atom Molecular Dynamics Simulations of Nanostructures on Parallel Computers

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2003-04, Vol.5 (1/2), p.119-135

2003

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Multimillion Atom Simulations of Dynamics of Oxidation of an Aluminum Nanoparticle and Nanoindentation on Ceramics

Unconditionally Gradient Stable Time Marching the Cahn-Hilliard Equation

Oxidation of aluminum nanoclusters

Dynamics of Oxidation of Aluminum Nanoclusters using Variable Charge Molecular-Dynamics Simulations on Parallel Computers

Nanoindentation-induced amorphization in silicon carbide

ATOMISTIC ASPECTS OF CRACK PROPAGATION IN BRITTLE MATERIALS: Multimillion Atom Molecular Dynamics Simulations

Brittle dynamic fracture of crystalline cubic silicon carbide (3C-SiC) via molecular dynamics simulation

Rapid in vitro multiplication and conservation of Garcinia indica: A tropical medicinal tree species

Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory

Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: design, analysis, and scalability test of parallel algorithms

Atomistic mechanisms for wurtzite-to-rocksalt structural transformation in cadmium selenide under pressure

Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers

Short- and intermediate-range structural correlations in amorphous silicon carbide: A molecular dynamics study

Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers

Molecular dynamics simulation of structural transformation in silicon carbide under pressure

Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals

Nanoindentation of silicon nitride: A multimillion-atom molecular dynamics study

Environmental effects of H2O on fracture initiation in silicon: A hybrid electronic-density-functional/molecular-dynamics study

Multiple grains in nanocrystals: Effect of initial shape and size on transformed structures under pressure

Hybrid quantum mechanical/molecular dynamics simulation on parallel computers: density functional theory on real-space multigrids

Crack Front Propagation and Fracture in a Graphite Sheet: A Molecular-Dynamics Study on Parallel Computers

Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: a parallel molecular dynamics simulation

Scalable and portable implementation of the fast multipole method on parallel computers

Coupling length scales for multiscale atomistics-continuum simulations: atomistically induced stress distributions in Si/Si3N4 nanopixels

Multimillion Atom Molecular Dynamics Simulations of Nanostructures on Parallel Computers

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