2016
DOI: 10.1021/acs.jpcc.5b11528
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Shock Loading of Granular Ni/Al Composites. Part 2: Shock-Induced Chemistry

Abstract: We use molecular dynamics simulations to characterize the chemical processes resulting from the shock compaction of a loosely packed granular reactive composite of Ni and Al. For all of the impact strengths studied (with piston velocities u p in the range 0.5–2.5 km/s), we find that reactions initiate in the vicinity of the collapsed pores. For the lowest impact velocities (u p ≤ 0.75 km/s), the reactions that initiate at the collapsed pores subsequently slow down as thermal transport dissipates the initial te… Show more

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Cited by 39 publications
(22 citation statements)
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“…As bulk structures approach the few-layer or monolayer limit, it is well-known that the mechanical properties, degree of orbital interactions and electronic band dispersion of the crystal structure become highly sensitive to the applied strain and their distribution. There are several different ways in which such native strain can develop in 2-D TMDC materials. TMDC layers experience varying degree of strain during their preparation (exfoliation or growth via CVD), the transfer process and due to strong interfacial interactions in the postdeposition or post-transfer stage.…”
mentioning
confidence: 99%
“…As bulk structures approach the few-layer or monolayer limit, it is well-known that the mechanical properties, degree of orbital interactions and electronic band dispersion of the crystal structure become highly sensitive to the applied strain and their distribution. There are several different ways in which such native strain can develop in 2-D TMDC materials. TMDC layers experience varying degree of strain during their preparation (exfoliation or growth via CVD), the transfer process and due to strong interfacial interactions in the postdeposition or post-transfer stage.…”
mentioning
confidence: 99%
“…The embedded atom method (EAM) is used to simulate the microstructure evolution of Nibased single-crystal alloys. [19][20][21] Ni-based single-crystal alloys have face-centred cubic (fcc) structures that are well suited for studying using EAM methods. In this study, the potential function of a Ni-Al system was used to simulate the evolution of the microstructure under shock loading.…”
Section: Methodsmentioning
confidence: 99%
“…In this study, the potential function of a Ni-Al system was used to simulate the evolution of the microstructure under shock loading. The shock behaviour of Ni-Al alloys has been studied in literature 20,21 using the potential function of Ni-Al. Accordingly, we studied the mechanical behaviour and microstructure evolution of Nibased single crystal alloys under shock loading.…”
Section: Methodsmentioning
confidence: 99%
“…Preliminary attempts to examine the reactivity of activated systems have been carried out in specific cases. der particles and the subsequent reactivity [15][16][17][18] . Here, the rise in temperature is a consequence of the impact, contrary to the case of a classic SHS process.…”
Section: Studied Milled Powders Of Ni+al By Means Of High-resolution Transmission Electronmentioning
confidence: 99%