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Reactive molecular dynamics simulation of thermal decomposition for nano-aluminized explosives

Physical chemistry chemical physics : PCCP, 2018-11, Vol.20 (46), p.29341-29350

2018

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Decomposition mechanism of 1,3,5-trinitro-2,4,6-trinitroaminobenzene under thermal and shock stimuli using ReaxFF molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (5), p.3799-385

2023

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Molecular dynamic simulation for thermal decomposition of RDX with nano-AlH3 particles

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (20), p.14192-14199

2018

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Atomistic insight into shell–core evolution of aluminum nanoparticles in reaction with gaseous oxides at high temperature

Journal of materials science, 2020-10, Vol.55 (30), p.14858-14872

2020

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Molecular dynamics insight into the evolution of AlH3 nanoparticles in the thermal decomposition of insensitive energetic materials

Journal of materials science, 2021-05, Vol.56 (15), p.9209-9226

2021

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Encapsulating aluminum nanoparticles into carbon nanotubes for combustion: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (2), p.11886-11892

2021

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Crystal Morphology Prediction and Anisotropic Evolution of 1,1-Diamino-2,2-dinitroethylene (FOX-7) by Temperature Tuning

Scientific reports, 2020-02, Vol.10 (1), p.2317-2317, Article 2317

2020

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Dopant effect on the optical and thermal properties of the 2D organic–inorganic hybrid perovskite (HDA)2PbBr4

Dalton transactions : an international journal of inorganic chemistry, 2024-01, Vol.53 (4), p.1691-1697

2024

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Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction

Organic & biomolecular chemistry, 2021-05, Vol.19 (2), p.4492-4496

2021

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Palladium‐Catalyzed Tandem γ‐Arylation/Aromatization of Cyclohex‐2‐En‐1‐One Derivatives: A Route to 3,4‐Dihydroanthracen‐1(2H)‐Ones

Advanced synthesis & catalysis, 2021-06, Vol.363 (12), p.3001-3005

2021

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Toward homogenous AlN via reaction of Al nanoparticles with N2 and NH3: Reactive molecular dynamics simulation

Journal of the American Ceramic Society, 2022-02, Vol.105 (2), p.1343-1357

2022

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Molecular dynamics simulation on the reaction of nano-aluminum with water: size and passivation effects

RSC advances, 2019-12, Vol.9 (71), p.41918-41926

2019

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Chemical etching strategy to prepare microtubes of a hybrid organic cuprous halide

CrystEngComm, 2023-02, Vol.25 (7), p.153-157

2023

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Atomic insights into combustion mechanism of nano‐aluminum hydride

International journal of energy research, 2022-06, Vol.46 (8), p.11079-11091

2022

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Reactivity of high active aluminum powder with RDX and HMX mixtures

Journal of physics. Conference series, 2023-06, Vol.2478 (3), p.32060

2023

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Crystal Morphology of 3,4‐Bis(3‐nitrofurazan‐4‐yl)furoxan in Methanol and Acetic Acid/Water Solutions by Spiral Growth Mechanism

Propellants, explosives, pyrotechnics, 2020-07, Vol.45 (7), p.1125-1136

2020

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Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC advances, 2020-02, Vol.1 (9), p.557-5515

2020

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Revealing the decomposition behavior of hexanitrostilbene and aluminum nanoparticles composites: A reactive molecular dynamics simulation

Acta astronautica, 2020-12, Vol.177, p.320-331

2020

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Reactive molecular dynamics simulation of thermal decomposition for nitromethane/nano-aluminum composites

Journal of molecular modeling, 2020-11, Vol.26 (11), p.300-300, Article 300

2020

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Effect of external growth environment on cocrystal habits of HNIW/DNB: a molecular dynamics simulation

Canadian journal of chemistry, 2020-12, Vol.98 (12), p.746-754

2020

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Molecular Modeling on Morphology of 3,4-Bis(3-nitrofurazan-4-yl)furoxan Crystals in Dichloroethane or Benzene Mixture Solvents

Journal of molecular modeling, 2019-12, Vol.25 (12), p.373-9, Article 373

2019

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Electrochemical Thin Film Deposition of Copper(I) Halides in Aqueous Solution: Substrate Extension and Structure Transformation

Advanced materials interfaces, 2022-04, Vol.9 (10), p.n/a

2022

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Crystal morphology prediction of 2,2′,4,4′,6,6’-hexanitrostilbene (HNS) by molecular scale simulation

Journal of molecular modeling, 2020-08, Vol.26 (8), p.213-213, Article 213

2020

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Thermal Decomposition Mechanism of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane Accelerated by Nano-Aluminum Hydride (AlH3): ReaxFF-Lg Molecular Dynamics Simulation

ACS omega, 2020-09, Vol.5 (36), p.23193-23200

2020

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Adsorption and decomposition of HMX and CL‐20 on Al(111) surface by DFT investigation

Surface and interface analysis, 2017-05, Vol.49 (5), p.441-449

2017

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Reactive molecular dynamics simulation of thermal decomposition for nano-aluminized explosives

Decomposition mechanism of 1,3,5-trinitro-2,4,6-trinitroaminobenzene under thermal and shock stimuli using ReaxFF molecular dynamics simulations

Molecular dynamic simulation for thermal decomposition of RDX with nano-AlH3 particles

Atomistic insight into shell–core evolution of aluminum nanoparticles in reaction with gaseous oxides at high temperature

Molecular dynamics insight into the evolution of AlH3 nanoparticles in the thermal decomposition of insensitive energetic materials

Encapsulating aluminum nanoparticles into carbon nanotubes for combustion: a molecular dynamics study

Crystal Morphology Prediction and Anisotropic Evolution of 1,1-Diamino-2,2-dinitroethylene (FOX-7) by Temperature Tuning

Dopant effect on the optical and thermal properties of the 2D organic–inorganic hybrid perovskite (HDA)2PbBr4

Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction

Palladium‐Catalyzed Tandem γ‐Arylation/Aromatization of Cyclohex‐2‐En‐1‐One Derivatives: A Route to 3,4‐Dihydroanthracen‐1(2H)‐Ones

Toward homogenous AlN via reaction of Al nanoparticles with N2 and NH3: Reactive molecular dynamics simulation

Molecular dynamics simulation on the reaction of nano-aluminum with water: size and passivation effects

Chemical etching strategy to prepare microtubes of a hybrid organic cuprous halide

Atomic insights into combustion mechanism of nano‐aluminum hydride

Reactivity of high active aluminum powder with RDX and HMX mixtures

Crystal Morphology of 3,4‐Bis(3‐nitrofurazan‐4‐yl)furoxan in Methanol and Acetic Acid/Water Solutions by Spiral Growth Mechanism

Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

Revealing the decomposition behavior of hexanitrostilbene and aluminum nanoparticles composites: A reactive molecular dynamics simulation

Reactive molecular dynamics simulation of thermal decomposition for nitromethane/nano-aluminum composites

Effect of external growth environment on cocrystal habits of HNIW/DNB: a molecular dynamics simulation

Molecular Modeling on Morphology of 3,4-Bis(3-nitrofurazan-4-yl)furoxan Crystals in Dichloroethane or Benzene Mixture Solvents

Electrochemical Thin Film Deposition of Copper(I) Halides in Aqueous Solution: Substrate Extension and Structure Transformation

Crystal morphology prediction of 2,2′,4,4′,6,6’-hexanitrostilbene (HNS) by molecular scale simulation

Thermal Decomposition Mechanism of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane Accelerated by Nano-Aluminum Hydride (AlH3): ReaxFF-Lg Molecular Dynamics Simulation

Adsorption and decomposition of HMX and CL‐20 on Al(111) surface by DFT investigation

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