Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Qian Mao, Muye Feng, Xi Zhuo Jiang, +3

Progress in Energy and Combustion Science

EngineeringCombustion TheoryComputational ChemistryReactive Molecular DynamicsChemistry +14

A reactive molecular dynamics simulation study of methane oxidation assisted by platinum/graphene-based catalysts

Muye Feng, Xi Zhuo Jiang, Kai Luo

Proceedings of the Combustion Institute

EngineeringNanoheterogeneous CatalysisNanocatalysisComputational ChemistryChemistry +17

Study of mechanisms for electric field effects on ethanol oxidation via reactive force field molecular dynamics

Xi Zhuo Jiang, Muye Feng, Weilin Zeng, +1

Proceedings of the Combustion Institute

ElectrohydrodynamicsEngineeringComputational ChemistryChemistryEthanol Oxidation +16

Study on mechanisms of methane/hydrogen blended combustion using reactive molecular dynamics simulation

Xiuting Liu, Min Zhao, Muye Feng, +1

International Journal of Hydrogen Energy

Chemical EngineeringMolecular DynamicsEngineeringCombustion EngineeringGas Turbine Combustion +6

Fundamental Study on Mechanisms of Thermal Decomposition and Oxidation of Aluminum Hydride

Muye Feng, Heping Li, Qian Mao, +2

The Journal of Physical Chemistry C

Materials ScienceChemical EngineeringEngineeringCorrosionFundamental Study +12

Initiation mechanisms of enhanced pyrolysis and oxidation of JP-10 (exo-tetrahydrodicyclopentadiene) on functionalized graphene sheets: Insights from ReaxFF molecular dynamics simulations

Muye Feng, Xi Zhuo Jiang, Qian Mao, +2

Fuel

Materials ScienceGraphene NanomeshesInitiation MechanismsEngineeringCarbon-based Material +8

A molecular dynamics study on oxidation of aluminum hydride (AlH3)/hydroxyl-terminated polybutadiene (HTPB) solid fuel

Muye Feng, Heping Li, Kai Luo

Proceedings of the Combustion Institute

Materials ScienceChemical EngineeringMolecular DynamicsEngineeringFuel Science +7

Ethanol oxidation with high water content: A reactive molecular dynamics simulation study

Muye Feng, Xi Zhuo Jiang, Weilin Zeng, +2

Fuel

Advanced Oxidation ProcessEngineeringFuel ScienceComputational ChemistryChemistry +15

Hydroxide and Hydronium Ions Modulate the Dynamic Evolution of Nitrogen Nanobubbles in Water

Pengchao Zhang, Changsheng Chen, Muye Feng, +2

Journal of the American Chemical Society

Chemical KineticsEngineeringDynamic EvolutionChemistryMolecular Dynamics +16

How sodium chloride extends lifetime of bulk nanobubbles in water

Muye Feng, Xiaotong Ma, Zeyun Zhang, +3

Soft Matter