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Superlubricity and tribochemistry of polyhydric alcohols

Physical review. B, Condensed matter and materials physics, 2008-08, Vol.78 (8), Article 085436

2008

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Generalized generalized gradient approximation:An improved density-functional theory for accurate orbital eigenvalues

Physical review. B, Condensed matter, 1997-06, Vol.55 (24), p.16103-16109

1997

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Deformation and spallation of shocked Cu bicrystals with Σ 3 coherent and symmetric incoherent twin boundaries

Physical review. B, Condensed matter and materials physics, 2012-01, Vol.85 (2), Article 024107

2012

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New alkali doped pillared carbon materials designed to achieve practical reversible hydrogen storage for transportation

Physical review letters, 2004-04, Vol.92 (16), p.166103-166103, Article 166103

2004

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Shock waves in high-energy materials: the initial chemical events in nitramine RDX

Physical review letters, 2003-08, Vol.91 (9), p.098301-098301, Article 098301

2003

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Multiparadigm modeling of dynamical crack propagation in silicon using a reactive force field

Physical review letters, 2006-03, Vol.96 (9), p.095505-095505, Article 095505

2006

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Polyyne ring nucleus growth model for single-layer carbon nanotubes

Physical review letters, 1996-04, Vol.76 (14), p.2515-2518

1996

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New concepts of metallic bonding based on valence-bond ideas

Physical review letters, 1985-12, Vol.55 (23), p.2563-2566

1985

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Molecular dynamics study of the binary Cu46Zr54 metallic glass motivated by experiments : Glass formation and atomic-level structure

Physical review. B, Condensed matter and materials physics, 2005-06, Vol.71 (22), p.224208.1-224208.9

2005

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Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments

Physical review. B, Condensed matter, 2003-10, Vol.68 (13), Article 134206

2003

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Microscopic mechanism of water diffusion in glucose glasses

Physical review letters, 2005-07, Vol.95 (4), p.045701.1-045701.4, Article 045701

2005

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Density functional theory and molecular dynamics studies of the energetics and kinetics of electroactive polymers: PVDF and P(VDF-TrFE)

Physical review. B, Condensed matter and materials physics, 2004-08, Vol.70 (6), p.064101.1-064101.8, Article 064101

2004

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Strain Rate Induced Amorphization in Metallic Nanowires

Physical review letters, 1999-04, Vol.82 (14), p.2900-2903

1999

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First-principles study of the switching mechanism of [2]catenane molecular electronic devices

Physical review letters, 2005-04, Vol.94 (15), p.156801.1-156801.4, Article 156801

2005

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Morse Stretch Potential Charge Equilibrium Force Field for Ceramics: Application to the Quartz-Stishovite Phase Transition and to Silica Glass

Physical review letters, 1999-02, Vol.82 (8), p.1708-1711

1999

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Mechanical properties of connected carbon nanorings via molecular dynamics simulation

Physical review. B, Condensed matter and materials physics, 2005-08, Vol.72 (8), p.085416.1-085416.9, Article 085416

2005

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Atomic simulations of kinetic friction and its velocity dependence at Al/Al and α-Al2O3/α-Al2O3 interfaces

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (4), p.045406.1-045406.12

2005

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Critical behavior in spallation failure of metals

Physical review. B, Condensed matter, 2001-02, Vol.63 (6), Article 060103

2001

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Phase diagram of MgO from density-functional theory and molecular-dynamics simulations

Physical review. B, Condensed matter, 1999-12, Vol.60 (22), p.15084-15093

1999

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Position of K Atoms in Doped Single-Walled Carbon Nanotube Crystals

Physical review letters, 1998-06, Vol.80 (25), p.5556-5559

1998

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Infinite-range Heisenberg model and high-temperature superconductivity

Physical review. B, Condensed matter, 1993-11, Vol.48 (17), p.13002-13017

1993

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Friction anisotropy at Ni(100)/(100) interfaces: Molecular dynamics studies

Physical review. B, Condensed matter, 2002-08, Vol.66 (8), Article 085420

2002

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Electron-phonon interactions and superconductivity in K3C60

Physical review. B, Condensed matter, 1993-11, Vol.48 (18), p.13959-13970

1993

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Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum

Physical review. B, Condensed matter, 2003-07, Vol.68 (1), Article 014104

2003

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Spin and charge dynamics in a one-dimensional two-band Hubbard model

Physical review. B, Condensed matter, 1993, Vol.47 (2), p.1149-1152

1993

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Superlubricity and tribochemistry of polyhydric alcohols

Generalized generalized gradient approximation:An improved density-functional theory for accurate orbital eigenvalues

Deformation and spallation of shocked Cu bicrystals with Σ 3 coherent and symmetric incoherent twin boundaries

New alkali doped pillared carbon materials designed to achieve practical reversible hydrogen storage for transportation

Shock waves in high-energy materials: the initial chemical events in nitramine RDX

Multiparadigm modeling of dynamical crack propagation in silicon using a reactive force field

Polyyne ring nucleus growth model for single-layer carbon nanotubes

New concepts of metallic bonding based on valence-bond ideas

Molecular dynamics study of the binary Cu46Zr54 metallic glass motivated by experiments : Glass formation and atomic-level structure

Maximum superheating and undercooling: Systematics, molecular dynamics simulations, and dynamic experiments

Microscopic mechanism of water diffusion in glucose glasses

Density functional theory and molecular dynamics studies of the energetics and kinetics of electroactive polymers: PVDF and P(VDF-TrFE)

Strain Rate Induced Amorphization in Metallic Nanowires

First-principles study of the switching mechanism of [2]catenane molecular electronic devices

Morse Stretch Potential Charge Equilibrium Force Field for Ceramics: Application to the Quartz-Stishovite Phase Transition and to Silica Glass

Mechanical properties of connected carbon nanorings via molecular dynamics simulation

Atomic simulations of kinetic friction and its velocity dependence at Al/Al and α-Al2O3/α-Al2O3 interfaces

Critical behavior in spallation failure of metals

Phase diagram of MgO from density-functional theory and molecular-dynamics simulations

Position of K Atoms in Doped Single-Walled Carbon Nanotube Crystals

Infinite-range Heisenberg model and high-temperature superconductivity

Friction anisotropy at Ni(100)/(100) interfaces: Molecular dynamics studies

Electron-phonon interactions and superconductivity in K3C60

Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum

Spin and charge dynamics in a one-dimensional two-band Hubbard model

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