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Atomistic explanation of shear-induced amorphous band formation in boron carbide

Physical review letters, 2014-08, Vol.113 (9), p.095501-095501, Article 095501

2014

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Novel family of chiral-based topological insulators: elemental tellurium under strain

Physical review letters, 2013-04, Vol.110 (17), p.176401-176401, Article 176401

2013

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Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility

Physical review letters, 2015-09, Vol.115 (10), p.105501-105501, Article 105501

2015

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Grain Boundary Sliding and Amorphization are Responsible for the Reverse Hall-Petch Relation in Superhard Nanocrystalline Boron Carbide

Physical review letters, 2018-10, Vol.121 (14), p.145504-145504, Article 145504

2018

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Excited electron dynamics modeling of warm dense matter

Physical review letters, 2007-11, Vol.99 (18), p.185003-185003, Article 185003

2007

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New Ground-State Crystal Structure of Elemental Boron

Physical review letters, 2016-08, Vol.117 (8), p.085501-085501, Article 085501

2016

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Density functional theory based neural network force fields from energy decompositions

Physical review. B, 2019-02, Vol.99 (6), p.064103, Article 064103

2019

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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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Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation

Physical review letters, 2007-10, Vol.99 (14), p.148303-148303, Article 148303

2007

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Threshold crack speed controls dynamical fracture of silicon single crystals

Physical review letters, 2007-10, Vol.99 (16), p.165502-165502, Article 165502

2007

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Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide

Physical review letters, 2015-10, Vol.115 (17), p.175501-175501, Article 175501

2015

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Dendritic propagation on circular electrodes: The impact of curvature on the packing density

Physical review. E, 2023-07, Vol.108 (1), Article 014801

2023

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Nonadiabatic study of dynamic electronic effects during brittle fracture of silicon

Physical review letters, 2012-01, Vol.108 (4), p.045501-045501, Article 045501

2012

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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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Experimental and Ab Initio Ultrafast Carrier Dynamics in Plasmonic Nanoparticles

Physical review letters, 2017-02, Vol.118 (8), p.087401-087401, Article 087401

2017

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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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Hypervelocity impact effect of molecules from Enceladus' plume and Titan's upper atmosphere on NASA's Cassini spectrometer from reactive dynamics simulation

Physical review letters, 2012-11, Vol.109 (21), p.213201-213201, Article 213201

2012

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Ab initio phonon coupling and optical response of hot electrons in plasmonic metals

Physical review. B, 2016-08, Vol.94 (7), Article 075120

2016

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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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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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Finite-pulse waves for efficient suppression of evolving mesoscale dendrites in rechargeable batteries

Physical review. E, 2019-10, Vol.100 (4), p.042801-042801, Article 042801

2019

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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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Simulations on the effects of confinement and Ni-catalysis on the formation of tubular fullerene structures from peapod precursors

Physical review. B, Condensed matter and materials physics, 2007-04, Vol.75 (13), Article 134107

2007

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Light irradiation induced brittle-to-ductile and ductile-to-brittle transition in inorganic semiconductors

Physical review. B, 2019-04, Vol.99 (16), p.1, Article 161202

2019

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Atomistic explanation of shear-induced amorphous band formation in boron carbide

Novel family of chiral-based topological insulators: elemental tellurium under strain

Atomistic Origin of Brittle Failure of Boron Carbide from Large-Scale Reactive Dynamics Simulations: Suggestions toward Improved Ductility

Grain Boundary Sliding and Amorphization are Responsible for the Reverse Hall-Petch Relation in Superhard Nanocrystalline Boron Carbide

Excited electron dynamics modeling of warm dense matter

New Ground-State Crystal Structure of Elemental Boron

Density functional theory based neural network force fields from energy decompositions

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

Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation

Threshold crack speed controls dynamical fracture of silicon single crystals

Atomic-Level Understanding of "Asymmetric Twins" in Boron Carbide

Dendritic propagation on circular electrodes: The impact of curvature on the packing density

Nonadiabatic study of dynamic electronic effects during brittle fracture of silicon

Microscopic mechanism of water diffusion in glucose glasses

Experimental and Ab Initio Ultrafast Carrier Dynamics in Plasmonic Nanoparticles

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

Hypervelocity impact effect of molecules from Enceladus' plume and Titan's upper atmosphere on NASA's Cassini spectrometer from reactive dynamics simulation

Ab initio phonon coupling and optical response of hot electrons in plasmonic metals

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

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

Finite-pulse waves for efficient suppression of evolving mesoscale dendrites in rechargeable batteries

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

Simulations on the effects of confinement and Ni-catalysis on the formation of tubular fullerene structures from peapod precursors

Light irradiation induced brittle-to-ductile and ductile-to-brittle transition in inorganic semiconductors

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