Sensitivity of Pore Collapse Heating to the Melting Temperature and Liquid-phase Shear Viscosity of HMX

A multiscale modeling strategy is used to quantify factors governing the temperature rise in hot spots formed by pore collapse from supported and unsupported shock waves in the high explosive HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). Two physical aspects are examined in detail, namely the melting temperature and liquid shear viscosity. All-atom molecular dynamics simulations of phase coexistence are used to predict the pressure-dependent melting temperature up to 5~GPa. Equilibrium simulations and the Green-Kubo formalism are used to obtain the temperature- and pressure-dependent liquid shear viscosity. Starting from a simplified continuum-based grain-scale model for HMX, we systematically increase the complexity of treatments for the solid-liquid phase transition and liquid shear viscosity in simulations of pore collapse. Using a realistic pressure-dependent melting temperature completely suppresses melting for supported shocks, which is otherwise predicted when treating it as a constant determined at atmospheric pressure. Alternatively, large melt pools form around pores during pressure release in unsupported shocks, even with a pressure-dependent melting temperature. Capturing the pressure dependence of the shear viscosity increases the peak temperature of melt pools by hundreds of Kelvin through viscous work. The complicated interplay of the solid-phase plastic work, solid-liquid phase transition, and liquid-phase viscous work identified here motivate taking a systematic approach to building increasingly complex grain-scale models and for guiding interpretation of predictions made using them.

Sensitivity of Pore Collapse Heating to the Melting Temperature and Liquid-phase Shear Viscosity of HMX

A multiscale modeling strategy is used to quantify factors governing the temperature rise in hot spots formed by pore collapse from supported and unsupported shock waves in the high explosive HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). Two physical aspects are examined in detail, namely the melting temperature and liquid shear viscosity. All-atom molecular dynamics simulations of phase coexistence are used to predict the pressure-dependent melting temperature up to 5~GPa. Equilibrium simulations and the Green-Kubo formalism are used to obtain the temperature- and pressure-dependent liquid shear viscosity. Starting from a simplified continuum-based grain-scale model for HMX, we systematically increase the complexity of treatments for the solid-liquid phase transition and liquid shear viscosity in simulations of pore collapse. Using a realistic pressure-dependent melting temperature completely suppresses melting for supported shocks, which is otherwise predicted when treating it as a constant determined at atmospheric pressure. Alternatively, large melt pools form around pores during pressure release in unsupported shocks, even with a pressure-dependent melting temperature. Capturing the pressure dependence of the shear viscosity increases the peak temperature of melt pools by hundreds of Kelvin through viscous work. The complicated interplay of the solid-phase plastic work, solid-liquid phase transition, and liquid-phase viscous work identified here motivate taking a systematic approach to building increasingly complex grain-scale models and for guiding interpretation of predictions made using them.

High efficiency shear exfoliation for producing high-quality, few-layered MoS2nanosheets in a green ethanol/water system

This work presented a feasible strategy to generate molybdenum disulfide (MoS2) nanosheets by a direct liquid shear exfoliation technique in a green mixed solvent system of ethanol/water.

Model for the initiation of atomization in a high-speed laminar liquid jet

A laminar water jet issuing at high speed from a short circular nozzle into air exhibits various instability features at different distances from the nozzle exit. Near the exit, the effects of gaseous friction and pressure are relatively weak. Deformation of the jet surface in this region is mainly due to the instability of a thin liquid shear layer flow, which relaxes from the velocity profile produced by the nozzle wall. In this paper, a model for this type of instability based on linear stability analysis is investigated to describe the process initiating the formation of liquid ligaments disintegrating into fine droplets near the nozzle exit. The modelling comprises identifying unstable waves excitable in the liquid shear layer and exploring a self-destabilizing mechanism by which unstable waves responsible for the formation of liquid ligaments are naturally reproduced from the upstream-propagating capillary waves produced by the growth of the unstable waves themselves. An expression for the location of ligament formation onset is derived that can be compared with experiments. The model also explains changes in jet instability features away from the nozzle exit and for very short nozzles.

A Computational Fluid Study of Falling Film Behavior on Flat Plate

In this paper, the 3D numerical simulations on falling film behaviour on flat plate with and without interfacial gas-liquid shear stress are carried out. The film thickness and velocity distribution of water film flow with different Reynolds numbers are studied. The results agree well with the experimental and theoretical data. The influence of the surface wave on film velocity is revealed. The calculations also investigate the effect of gas-liquid shear stress on solitary waves of falling film.