Growth of 2D Plate-Like HMX Crystals on Hydrophilic Substrate

Jiang, Yinlu; Xu, Jinjiang; Zhang, Haobin; Liu, Yu; Liu, Pu; Li, Haibo; Liu, Xiaofeng; Sun, Jie

doi:10.1021/cg401669w

Cited by 8 publications

(5 citation statements)

References 46 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…4 Recently, Jiang et al obtained the 2D plate-like β-HMX crystals on the hydrophilic substrate and revealed the growth mechanism of the recess on the (011) face. 5 They stressed that the emergence of the (011) face is caused by the lowest attachment energy. Zhang et al carried out the molecular dynamics (MD) simulations for the β-HMX crystals grown from various solvents, where a high relative occupancy was ascribed to the generation of the (020) and (011) faces.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Prediction of Growth Habit of β-Cyclotetramethylene-tetranitramine Crystals by the First-Principles Models

Shim

Koo

2015

Crystal Growth & Design

View full text Add to dashboard Cite

Experimentally, β-cyclotetramethylene-tetranitramine (β-HMX) crystals were found to dramatically elongate to the [100] direction when a relatively high supersaturation was imposed. A sudden growth of β-HMX to the [100] direction is closely associated with a mechanistic transition from spiral growth to two-dimensional (2D) nucleation for the (110) face. The onset supersaturation for the growth by 2D nucleation, σ 2D , was found to play a key role in the growth of β-HMX. The present simulation results based on first-principles models such as the spiral growth model and the 2D nucleation model show that the values of σ 2D on the (101) and (101̅ ) faces are smaller than those on the (020), (110), and (011) faces. This leads to the prediction of rapid growth rates for the (101) and (101̅ ) faces by 2D nucleation at low supersaturation and the appearance of a typical shape of β-HMX. On the other hand, the needle-like shape of β-HMX begins to prevail when the supersaturation exceeds the σ 2D for the (110) face because its growth mechanism is transformed from the spiral growth mechanism to the 2D nucleation mechanism which accompanies rapid growth of the (110) face. As a result, the present predictions are in remarkable agreement with the experiments. Furthermore, the kinetic Monte Carlo (KMC) simulation also shows that the σ 2D for the (110) face is lower than that for the (011) face because the (011) face provides the surface topology on which growth units are unfavorably incorporated into the lattice sites. It evidently shows that the relative positions of σ 2D bring on the advent of needle-like growth of β-HMX.

show abstract

Section: Introductionmentioning

confidence: 99%

“…Recently, Jiang et al obtained the 2D plate-like β-HMX crystals on the hydrophilic substrate and revealed the growth mechanism of the recess on the (011) face . They stressed that the emergence of the (011) face is caused by the lowest attachment energy.…”

Section: Introductionmentioning

confidence: 99%

Prediction of Growth Habit of β-Cyclotetramethylene-tetranitramine Crystals by the First-Principles Models

Shim

Koo

2015

Crystal Growth & Design

View full text Add to dashboard Cite

show abstract

“…The thickness of void containing interface implies that the loose contact of HMX and F2311 may be related to the surface roughness of HMX crystals. According to the previous study [26], the (011) face of HMX grows layer-by-layer through monomolecular stacking with stacking height of 0.6 nm. The thickness of interface layer between HMX and F2311 equals about four times of stacking height of (011) face of HMX, which implies the relationship between the interfacial voids and the surface roughness of HMX.…”

Section: Resultsmentioning

confidence: 73%

“…The gas permeability was fitted by using Hashemifard-Ismail-Matsuura (HIM) model and Knudsen diffusion equation [19]. The fitting result suggests that a voids containing interface layer with thickness of 2.2 nm presents in the HMX-F2311 composites, and the results have been discussed by associating with NR and atomic force microscope (AFM) results reported in the literatures [18,26].…”

Section: Introductionmentioning

confidence: 71%

Characterization of Interfacial Micro‐Structures of Explosive‐Binder Composites by Gas Permeation

Liu

2019

Propellants Explo Pyrotec

Self Cite

View full text Add to dashboard Cite

The interface between explosive and binder in plastic‐bonded explosives (PBXs) plays an important role in their properties such as thermal and mechanical stability, and also their performance in detonation processes. However, characterization of their interfacial micro‐structures remains challenging, due to the sensitive nature of the explosive material, and the extremely thin nature of the interface. This work demonstrates a concept of characterizing interfacial structures between explosives and binders by gas permeation. The N2 permeability data of composite films of cyclotetramethylene‐tetranitramine (HMX) particles dispersed in fluororubber binder (copolymers of vinylidene fluoride and chlorotrifluoro‐ethylene, F2311) were tested and fitted by using gas transport mechanism theory, e. g. the Hashemifard‐Ismail‐Matsuura (HIM) model, and the Knudsen diffusion equation. The results indicate the presence of voids of thickness 2.2 nm between HMX and F2311, consistent with the results of neutron reflection and thermal conductivity measurements. These interfacial voids are considered to be related to the surface roughness of HMX particles. This work provides an alternative characterization technique for, as well as a new insight into, the interface between HMX and F2311.

show abstract

“…Since the habit of HMX crystals are almost prismatic type. The value of m (the dimensionality of growth) is 3 . Therefore, the value of

n^{'}

(

n^{'}

= m

v^{'}

+ 1) can take 4 or 5/2, depending on the value of

v^{'}

(1/2 or 1).…”

Section: Induction Time and Nucleation Mechanismsmentioning

confidence: 99%

Investigation of nucleation kinetics and crystal defects of HMX

Duan

et al. 2015

Crystal Research and Technology

View full text Add to dashboard Cite

The nucleation kinetics of HMX (cyclotetramethylene tetranitramine, C 4 H 8 N 8 O 8 ) in γ -butyrolactone was studied in cooling process by induction time method. The laser scattering method was used to measure the solubility data and metastable region of HMX in γ -butyrolactone. The induction time was measured over a range of supersaturation at different temperatures. Then, the nucleation mechanism of HMX in γ -butyrolactone was investigated by analysis the relationships between induction time and supersaturation. The results indicated homogeneous nucleation dominated at high supersaturation of S >1.35, while the heterogeneous nucleation dominated at low supersaturation of S < 1.35. The values of interfacial tension at different final temperatures were calculated to indicate the ability of HMX to be crystallized. The growth mechanism of HMX was investigated by the data fitting applying different growth mechanism models and identified as two-dimensional nucleation-mediated (2D) growth. Finally, the effects of supersaturation and temperature on the crystal defects were analyzed based on the nucleation kinetics. When the temperature is below 303.15K, homogeneous nucleation dominated the nucleation process at higher supersaturation. Fine HMX crystals with more defects were produced. On the contrary, heterogeneous nucleation mechanism dominated at lower supersaturation. large regular HMX crystals with fewer defects were formed when the temperature is above 318.15K.

show abstract

Growth of 2D Plate-Like HMX Crystals on Hydrophilic Substrate

Cited by 8 publications

References 46 publications

Prediction of Growth Habit of β-Cyclotetramethylene-tetranitramine Crystals by the First-Principles Models

Prediction of Growth Habit of β-Cyclotetramethylene-tetranitramine Crystals by the First-Principles Models

Characterization of Interfacial Micro‐Structures of Explosive‐Binder Composites by Gas Permeation

Investigation of nucleation kinetics and crystal defects of HMX

Contact Info

Product

Resources

About