A perspective on modeling the multiscale response of energetic materials

Rice, Betsy M.

doi:10.1063/1.4971458

Cited by 8 publications

(3 citation statements)

References 20 publications

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“…Practical length scales of interest contain hundreds (if not thousands) of pores, which is why scale bridging efforts between multiple modeling and simulation codes are an active area for research 24,25 . Two of the more successful approaches of scale bridging of HE initiation appear to be mesoscale simulations 26,27 and statistically-driven models 28,29 , each having their own advantages and limitations.…”

Section: Introductionmentioning

confidence: 99%

“…Upon collapse an isolated pore will generate a single hot spot, but it is ultimately the collections of interacting hot spots across multiple length and time scales which leads to the build up of a detonation. Practical length scales of interest contain hundreds (if not thousands) of pores, which is why scale bridging efforts between multiple modeling and simulation codes are an active area for research 24,25 . Two of the more successful approaches of scale bridging of HE initiation appear to be mesoscale simulations 26,27 and statistically-driven models 28,29 , each having their own advantages and limitations.…”

Section: Introductionmentioning

confidence: 99%

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Multiscale modeling of shock wave localization in porous energetic material

et al. 2018

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Shock wave interactions with defects, such as pores, are known to play a key role in the chemical initiation of energetic materials. The shock response of hexanitrostilbene is studied through a combination of large scale reactive molecular dynamics and mesoscale hydrodynamic simulations. In order to extend our simulation capability at the mesoscale to include weak shock conditions (< 6 GPa), atomistic simulations of pore collapse are used to define a strain rate dependent strength model. Comparing these simulation methods allows us to impose physically-reasonable constraints on the mesoscale model parameters. In doing so, we have been able to study shock waves interacting with pores as a function of this viscoplastic material response. We find that the pore collapse behavior of weak shocks is characteristically different to that of strong shocks.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Multiscale modeling of shock wave localization in porous energetic material

et al. 2018

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“…Further efforts should also be made to develop DPD models that are accurate across wide temperature and density intervals to facilitate simulations of systems subject to strong driving forces such as shock waves or intense electromagnetic radiation, or to treat chemical reactions. These are challenging tasks [42,43].…”

Section: Discussionmentioning

confidence: 99%

Multiscale simulation of the responses of discrete nanostructures to extreme loading conditions based on the material point method

Jiang

Chen

Sewell

et al. 2015

Computer Methods in Applied Mechanics and Engineering

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A particle-based multiscale simulation procedure is being developed that includes a concurrent link between the Material Point Method (MPM) and Dissipative Particle Dynamics (DPD) and a hierarchical bridge from Molecular Dynamics (MD) to DPD. In this paper, an interfacial scheme is presented that can be used to effectively cast spatial discretization at different scales into a unified MPM framework. The advantage to the approach is that the interactions among discrete nanostructures under extreme loading conditions can be simulated without the need for master/slave nodes as required in the Finite Element Method and other similar mesh-based methods. The proposed multiscale simulation scheme is applied to representative cases: tensile extension of a single nanobar, isothermal compression of a cube-shaped nanoparticle in a highpressure fluid, and the behavior of nanosphere pairs and nanosphere-nanorod assemblies in a confining fluid for different initial arrangements of the components. The concurrent DPD/MPM results are in good qualitative agreement with the predictions obtained using a DPD-only description and all-atom MD, but require much less computational time as compared to all-atom

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