Mesoscale simulations of shockwave energy dissipation via chemical reactions

Antillon, E.; Strachan, Alejandro

doi:10.1063/1.4908309

Cited by 14 publications

(12 citation statements)

References 27 publications

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“…Too large a distance between clusters limits propagation of detonation possibility due to the local explosion's energy being absorbed by the surrounding matter. This absorption causes local heating of matter and formation of the chemically active substances [43].…”

Section: The Hypothetical Physical Chemistry Of the Earthquake-hypocementioning

confidence: 99%

Hypothetical Physics and Chemistry of Volcanic Eruptions: The Doorway to Their Prediction

Gilat¹,

Mavrodiev²,

Vol³

2019

IJG

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This article presents a further development of the hypotheses concerning the possibility of predicting ("tectonic") earthquakes [1]. Those hypotheses are based on the conversion of all types of released energy into heat and active chemical substances. One of the important sources of this phenomenon is the release of the latent energy trapped and stored during the Earth's accretion. The latent energy of primordial hydrogen and helium escaping from the Earth's core and lower mantle causes degassing processes [2] [3]. This latent energy converts into totally different types of chemical, electromagnetic and thermal energies of active compounds that are responsible for the major endogenic terrestrial processes. The dominating theories in seismology and volcanology are that an earthquake results from a sudden slip of a tectonic fault and that only magma and the gases contained in magma supply the volcanic energy resulting in the conclusions that earthquakes and eruptions are unpredictable. Volcanic eruption is considered herein to be a special case of the earthquake-process in which earthquake hypocenters rise to the Earth's surface. A possible solution is proposed ([1] and herein) based on the analyses of the physicochemical processes as participants in earthquake and eruption preparations (foreshocks-major shock-aftershocks-volcanic eruptions) and on the characteristic rates of reflection of these processes on the Earth's surface. Influences of Sun-Moon-tides and volcanic ("harmonic") tremors are analyzed from physical-chemical point of view. The case of the 1980 eruption of Mount St. Helens and the proposed monitoring of the recommended additional data provides a way of selecting a complex of reliable earthquake and volcanic eruption precursors.

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Section: The Hypothetical Physical Chemistry Of the Earthquake-hypocementioning

confidence: 99%

Hypothetical Physics and Chemistry of Volcanic Eruptions: The Doorway to Their Prediction

Gilat¹,

Mavrodiev²,

Vol³

2019

IJG

View full text Add to dashboard Cite

show abstract

“…Too large a distance between clusters limits the propagation of detonation possibility due to the possibility of absorption of the local explosion's energy by surrounding matter. This absorption causes local heating of matter and the formation of the chemically active substances [15].…”

Section: Physics and Chemistry Of The Hypocenter Preparation And Eartmentioning

confidence: 99%

Study of the Possibility of Predicting Earthquakes

Mavrodiev¹,

Pekevski²,

Botev³

et al. 2018

IJG

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It is already well known that the "when, where and how strong" earthquake prediction problem cannot be solved by only analyzing the database from former earthquakes. A possible solution to this problem is proposed herein based on the analysis of the physicochemical processes as participants in earthquake preparation and on the characteristic rate of reflection of these processes on the Earth's surface. The proposed procedure includes monitoring of correlation of electromagnetic fields variations with tidal waves. This solution provides a way of selecting a complex of reliable earthquake precursors using the Inverse Problem Method for earthquakes which will occur in the region around the monitoring point (radial distance ≈ 700 km) in the next seven-day period [1].

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“…Explicit simulation within the DPD framework is akin to atomisticlevel reactive force-fields (e. g., ReaxFF [11]), which involves explicit bond-breaking and formation, either in a stochastic [16][17][18][19][20] or deterministic fashion [16,19]. An alternative particle-based CG methodology for EM simulation, termed dynamics with implicit degrees of freedom (DID), treats chemical reactivity through a reactive potential [21][22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

Forging of Hierarchical Multiscale Capabilities for Simulation of Energetic Materials

Barnes

Leiter

Larentzos

et al. 2019

Propellants Explo Pyrotec

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We present new capabilities for investigation of microstructure in energetic material response for both explicit large‐scale and multiscale simulations. We demonstrate the computational capabilities by studying the effect of porosity on the reactive shock response of a coarse‐grain (CG) model of the energetic material cyclotrimethylene trinitramine (RDX), the non‐reactive equation of state for a porous representative volume element (RVE) of CG RDX, and utilization of available supercomputing resources for speculative sampling to accelerate hierarchical multiscale simulations. Small amounts of porosity (up to 4 %) are shown to have significant effect on the initiation of reactive CG RDX using large‐scale reactive dissipative particle dynamics simulations. Non‐reactive RVEs are shown to undergo a porosity‐dependent pore collapse at hydrostatic conditions, and an existing automation framework is shown to be easily modified for the incorporation of microstructure while retaining reliable convergence properties. A novel predictive sampling method based on use of kernel density estimators is shown to effectively accelerate time‐to‐solution in a multiscale simulation, scaling with free CPU cores, while making no assumptions about the underlying physics for the data being analyzed. These multidisciplinary studies of distinct yet connected problems combine to provide methodological insights for high‐fidelity modeling of reactive systems with microstructure.

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Mesoscale simulations of shockwave energy dissipation via chemical reactions

Cited by 14 publications

References 27 publications

Hypothetical Physics and Chemistry of Volcanic Eruptions: The Doorway to Their Prediction

Hypothetical Physics and Chemistry of Volcanic Eruptions: The Doorway to Their Prediction

Study of the Possibility of Predicting Earthquakes

Forging of Hierarchical Multiscale Capabilities for Simulation of Energetic Materials

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