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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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Research on the life-limiting sputtering mechanism of 30 cm ion thruster

AIP advances, 2022-06, Vol.12 (6), p.065032-065032-8

2022

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Dislocation-mediated shear amorphization in boron carbide

Science advances, 2021-02, Vol.7 (8)

2021

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Thermal Stability and Detonation Properties of Potassium 4,4′-Bis(dinitromethyl)-3,3′-azofurazanate, an Environmentally Friendly Energetic Three-Dimensional Metal–Organic Framework

ACS applied materials & interfaces, 2019-01, Vol.11 (1), p.1512-1519

2019

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Detonation Performance of Insensitive Nitrogen-Rich Nitroenamine Energetic Materials Predicted from First-Principles Reactive Molecular Dynamics Simulations

JACS Au, 2024-04, Vol.4 (4), p.1605-1614

2024

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Transgranular amorphous shear band formation in polycrystalline boron carbide

International journal of plasticity, 2019-10, Vol.121, p.218-226

2019

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Elucidating the Cooperative Roles of Water and Lewis Acid–Base Pairs in Cascade C–C Coupling and Self-Deoxygenation Reactions

JACS Au, 2021-09, Vol.1 (9), p.1471-1487

2021

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Influence of Silicon on the Detonation Performance of Energetic Materials from First-Principles Molecular Dynamics Simulations

Journal of physical chemistry. C, 2018-10, Vol.122 (42), p.24481-24487

2018

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Investigation of variable aperture on the performance and lifetime of ion thruster

Plasma science & technology, 2021-10, Vol.23 (10), p.104002

2021

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Thermal decomposition and diffusion of methane in clathrate hydrates from quantum mechanics simulations

RSC advances, 2020-04, Vol.1 (25), p.14753-1476

2020

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Compressive Shear Reactive Molecular Dynamics Studies Indicating That Cocrystals of TNT/CL-20 Decrease Sensitivity

Journal of physical chemistry. C, 2014-12, Vol.118 (51), p.30202-30208

2014

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Synthesis of a Porous [14]Annulene Graphene Nanoribbon and a Porous [30]Annulene Graphene Nanosheet on Metal Surfaces

Angewandte Chemie (International ed.), 2023-10, Vol.62 (43), p.e202306368-e202306368

International ed. in English, 2023

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Super Strengthening Nano‐Polycrystalline Diamond through Grain Boundary Thinning

Advanced functional materials, 2023-05, Vol.33 (18), p.n/a

2023

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The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics

Journal of materials chemistry. A, Materials for energy and sustainability, 2015-01, Vol.3 (10), p.5409-5419

2015

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Enhancing the Detonation Properties of Liquid Nitromethane by Adding Nitro-Rich Molecule Nitryl Cyanide

Journal of physical chemistry. C, 2020-05, Vol.124 (18), p.9787-9794

2020

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Increasing Oxygen Balance Leads to Enhanced Performance in Environmentally Acceptable High-Energy Density Materials: Predictions from First-Principles Molecular Dynamics Simulations

ACS applied materials & interfaces, 2022-02, Vol.14 (4), p.5257-5264

2022

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Chemisorption-Induced Formation of Biphenylene Dimer on Ag(111)

Journal of the American Chemical Society, 2022-01, Vol.144 (2), p.723-732

2022

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Vacancy-driven shear localization in silicon nitride

Scripta materialia, 2021-01, Vol.190, p.163-167

2021

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Predicting Physical and Chemical Behaviors of Energetic Materials

Guo, Dezhou

2020

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ProQuest

Dual Functions of Water in Stabilizing Metal-Pentazolate Hydrates [M(N 5 ) 2 (H 2 O) 4 ]·4H 2 O (M = Mn, Fe, Co, and Zn) High-Energy-Density Materials

Journal of physical chemistry. C, 2018-09, Vol.122 (37), p.21192-21201

2018

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Dual Functions of Water in Stabilizing Metal-Pentazolate Hydrates [M(N5)2(H2O)4]·4H2O (M = Mn, Fe, Co, and Zn) High-Energy-Density Materials

Journal of physical chemistry. C, 2018-09, Vol.122 (37), p.21192-21201

2018

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Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (3), p.2015-2022

2016

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Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp04516a

2016-01

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Synthesis of a Porous [14]Annulene Graphene Nanoribbon and a Porous [30]Annulene Graphene Nanosheet on Metal Surfaces

Angewandte Chemie, 2023-10, Vol.135 (43)

2023

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Graphite interface mediated grain-boundary sliding leads to enhanced mechanical properties of nanocrystalline silicon carbide

Materialia, 2019-09, Vol.7, p.100394, Article 100394

2019

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

Research on the life-limiting sputtering mechanism of 30 cm ion thruster

Dislocation-mediated shear amorphization in boron carbide

Thermal Stability and Detonation Properties of Potassium 4,4′-Bis(dinitromethyl)-3,3′-azofurazanate, an Environmentally Friendly Energetic Three-Dimensional Metal–Organic Framework

Detonation Performance of Insensitive Nitrogen-Rich Nitroenamine Energetic Materials Predicted from First-Principles Reactive Molecular Dynamics Simulations

Transgranular amorphous shear band formation in polycrystalline boron carbide

Elucidating the Cooperative Roles of Water and Lewis Acid–Base Pairs in Cascade C–C Coupling and Self-Deoxygenation Reactions

Influence of Silicon on the Detonation Performance of Energetic Materials from First-Principles Molecular Dynamics Simulations

Investigation of variable aperture on the performance and lifetime of ion thruster

Thermal decomposition and diffusion of methane in clathrate hydrates from quantum mechanics simulations

Compressive Shear Reactive Molecular Dynamics Studies Indicating That Cocrystals of TNT/CL-20 Decrease Sensitivity

Synthesis of a Porous [14]Annulene Graphene Nanoribbon and a Porous [30]Annulene Graphene Nanosheet on Metal Surfaces

Super Strengthening Nano‐Polycrystalline Diamond through Grain Boundary Thinning

The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics

Enhancing the Detonation Properties of Liquid Nitromethane by Adding Nitro-Rich Molecule Nitryl Cyanide

Increasing Oxygen Balance Leads to Enhanced Performance in Environmentally Acceptable High-Energy Density Materials: Predictions from First-Principles Molecular Dynamics Simulations

Chemisorption-Induced Formation of Biphenylene Dimer on Ag(111)

Vacancy-driven shear localization in silicon nitride

Predicting Physical and Chemical Behaviors of Energetic Materials

Dual Functions of Water in Stabilizing Metal-Pentazolate Hydrates [M(N 5 ) 2 (H 2 O) 4 ]·4H 2 O (M = Mn, Fe, Co, and Zn) High-Energy-Density Materials

Dual Functions of Water in Stabilizing Metal-Pentazolate Hydrates [M(N5)2(H2O)4]·4H2O (M = Mn, Fe, Co, and Zn) High-Energy-Density Materials

Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics

Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp04516a

Synthesis of a Porous [14]Annulene Graphene Nanoribbon and a Porous [30]Annulene Graphene Nanosheet on Metal Surfaces

Graphite interface mediated grain-boundary sliding leads to enhanced mechanical properties of nanocrystalline silicon carbide

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