Molecular dynamics simulations of the reaction mechanism in Ni/Al reactive intermetallics

Cherukara, Mathew J.; Weihs, Timothy P.; Strachan, Alejandro

doi:10.1016/j.actamat.2015.06.008

Cited by 39 publications

(13 citation statements)

References 42 publications

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“…Cherukara et al studied the reaction mechanisms in thermally ignited reactive samples of core/shell Ni/Al wires. Samples ignited at low and at high temperatures follow very different reaction paths.…”

Section: Molecular Dynamics Study Of the Reactivity Of Ni/al Systemsmentioning

confidence: 99%

SHS in Ni/Al Nanofoils: A Review of Experiments and Molecular Dynamics Simulations

et al. 2018

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Non-isothermal processes in nanometric metallic multilayers are reviewed, both experimentally and theoretically. The Ni/Al nanofoil is considered as a model system. On the one hand, the experimental methods of elaboration and analysis are presented and, on the other hand, the modeling approach at the macroscopic and atomic scale. The basic experimental features are reported together with recent achievements. Molecular dynamics investigation of the reactivity of Ni/Al systems is reported for bulk systems and nanosystems including nanoparticles, nanowires, nanofilms, and multilayers. The focus is on atomic-scale modeling versus experiments. Molecular dynamics approaches allow us to elucidate the mechanisms of nonisothermal processes occurring in nanoscale systems, such as phase transformations and self-propagation reactions.

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Section: Molecular Dynamics Study Of the Reactivity Of Ni/al Systemsmentioning

confidence: 99%

SHS in Ni/Al Nanofoils: A Review of Experiments and Molecular Dynamics Simulations

et al. 2018

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“…Recently, molecular dynamics were used to simulate larger systems of about 1µm. High-temperature, self-propagating reactions were investigated in nanolayered Ni/Al foils [33], and reaction mechanisms were studied in thermally ignited core/shell Ni/Al wires [34].…”

Section: Introductionmentioning

confidence: 99%

Combustion in reactive multilayer Ni/Al nanofoils: Experiments and molecular dynamic simulation

Рогачев

Вадченко

Baras

et al. 2016

Combustion and Flame

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“…In addition, extensive analytical work on multilayer composites has examined shock propagation both perpendicular [6][7][8][9][10] and parallel to the interfaces [11][12][13][14][15][16][17]. Numerous molecular dynamics studies have also investigated the response of idealized, nanoscale multilayer composites under shock compression [18][19][20]. However, using mesoscale simulations, the need to stay with idealized, laminar geometries is eliminated and the influence of irregularities in bulk multilayer composites can be understood.…”

Section: Introductionmentioning

confidence: 99%

Interfacial Effects on the Dispersion and Dissipation of Shock Waves in Ni/Al Multilayer Composites

Specht

Weihs

Thadhani

2016

J. dynamic behavior mater.

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The influence of interfacial density, structure, and strength in addition to material strengths on the dispersion and dissipation of a shock wave traveling parallel to the layers in a laminar, multilayer composite was investigated using twodimensional, meso-scale simulations incorporating a real, heterogeneous microstructure. Optimum interfacial densities for maximizing wave dispersion and dissipation were identified. Interfacial structure strongly influenced the dispersion by altering the wave interactions internal to the composite. Interfacial strength effected both the dispersion and dissipation through drastic changes to the interfacial strain generated. Lastly, material strength influenced only the dissipation of the shock wave by altering the compressibility of the constituents. The combined results identified interfacial strain as the driving mechanism influencing the shock compression response of the Ni/Al multilayered composites.

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Molecular dynamics simulations of the reaction mechanism in Ni/Al reactive intermetallics

Cited by 39 publications

References 42 publications

SHS in Ni/Al Nanofoils: A Review of Experiments and Molecular Dynamics Simulations

SHS in Ni/Al Nanofoils: A Review of Experiments and Molecular Dynamics Simulations

Combustion in reactive multilayer Ni/Al nanofoils: Experiments and molecular dynamic simulation

Interfacial Effects on the Dispersion and Dissipation of Shock Waves in Ni/Al Multilayer Composites

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