Molecular dynamics study of the influence of microstructure on reaction front propagation in Al–Ni multilayers

2021 ◽  
Vol 119 (13) ◽  
pp. 133901
Author(s):  
Fabian Schwarz ◽  
Ralph Spolenak
Keyword(s):  
Molecular Dynamics ◽  
Reaction Front ◽  
Front Propagation

scholarly journals Reaction front propagation in nanocrystalline Ni/Al composites: A molecular dynamics study

2020 ◽  
Vol 128 (21) ◽  
pp. 215301
Author(s):  
O. Politano ◽  
F. Baras
Keyword(s):  
Molecular Dynamics ◽  
Reaction Front ◽  
Front Propagation

LEEM and selected-area LEED studies of reaction front propagation

1993 ◽  
Vol 287-288 ◽  
pp. A380
Author(s):  
B. Rausenberger ◽  
W. Świȩch ◽  
W. Engel ◽  
A.M. Bradshaw ◽  
E. Zeitler
Keyword(s):  
Reaction Front ◽  
Front Propagation

An exactly solvable model of subdiffusion–reaction front propagation

2013 ◽  
Vol 46 (6) ◽  
pp. 065101 ◽  
Author(s):  
A A Nepomnyashchy ◽  
V A Volpert
Keyword(s):  
Reaction Front ◽  
Solvable Model ◽  
Front Propagation ◽  
Exactly Solvable Model ◽  
Exactly Solvable

Detonation development from a hot spot in methane/air mixtures: Effects of kinetic models

2020 ◽  
pp. 146808742094461
Author(s):  
Jingyi Su ◽  
Peng Dai ◽  
Zheng Chen
Keyword(s):  
Natural Gas ◽  
Kinetic Models ◽  
Reaction Front ◽  
Internal Combustion Engines ◽  
Hot Spot ◽  
Thermal Sensitivity ◽  
Front Propagation ◽  
Low Carbon ◽  
Promising Alternative ◽  
Detonation Development

Natural gas is a promising alternative fuel which can be used in internal combustion engines to achieve low carbon emission and high thermal efficiency. However, at high compression ratio, super-knock due to detonation development might occur. In this study, the autoignitive reaction front propagation and detonation development from a hot spot were investigated numerically and the main component of natural gas, methane, was considered. The objective is to assess the performance of different kinetic models in terms of predicting hot spot–induced detonation development in methane/air mixtures. First, simulations for the constant-volume homogeneous ignition in a stoichiometric methane/air mixture were conducted. The ignition delay time, excitation time, critical temperature gradient, thermal sensitivity and reduced activation energy predicted by different kinetic models were obtained and compared. It was found that there are notable discrepancies among the predictions by different kinetic models. Then, hundreds of one-dimensional simulations were conducted for detonation development from a hot spot in a stoichiometric CH4/air mixture. Different autoignition modes were identified and the detonation regimes were derived based on the peak pressure and reaction front propagation speed. It was found that even at the same conditions, different propagation modes can be predicted by different kinetic models. The broadest detonation development regime was predicted by the reduced GRI mechanism, while a relatively narrow regime was predicted by the recent kinetic models such as FFCM-1 and Aramco 3.0. The present results indicate that super-knock prediction strongly depends on the kinetic model used in simulations. Therefore, significant efforts should be devoted to the development and validation of kinetic models for natural gas at engine conditions.

scholarly journals Reactive removal of unstable mixed NO+CO adlayers: Chemical diffusion and reaction front propagation

1998 ◽  
Vol 108 (18) ◽  
pp. 7795-7806 ◽  
Author(s):  
M. Tammaro ◽  
J. W. Evans
Keyword(s):  
Reaction Front ◽  
Front Propagation ◽  
Chemical Diffusion

Crack Front Propagation and Fracture in a Graphite Sheet: A Molecular-Dynamics Study on Parallel Computers

1997 ◽  
Vol 78 (11) ◽  
pp. 2148-2151 ◽  
Author(s):  
Andrey Omeltchenko ◽  
Jin Yu ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Crack Front ◽  
Front Propagation ◽  
Parallel Computers ◽  
Graphite Sheet

LEEM and selected-area LEED studies of reaction front propagation

1993 ◽  
Vol 287-288 ◽  
pp. 235-240 ◽  
Author(s):  
B. Rausenberger ◽  
W. Świȩch ◽  
W. Engel ◽  
A.M. Bradshaw ◽  
E. Zeitler
Keyword(s):  
Reaction Front ◽  
Front Propagation

Numerical experiments on reaction front propagation in n-heptane/air mixture with temperature gradient

2015 ◽  
Vol 35 (3) ◽  
pp. 3045-3052 ◽  
Author(s):  
Peng Dai ◽  
Zheng Chen ◽  
Shiyi Chen ◽  
Yiguang Ju
Keyword(s):  
Temperature Gradient ◽  
Reaction Front ◽  
Numerical Experiments ◽  
Front Propagation

Reaction front propagation in a turbulent flow

1995 ◽  
Vol 28 (17) ◽  
pp. L461-L468 ◽  
Author(s):  
S P Fedotov
Keyword(s):  
Turbulent Flow ◽  
Reaction Front ◽  
Front Propagation
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