Simulating vapour growth morphology of crystalline urea using modified attachment energy model

2012 ◽  
Vol 343 (1) ◽  
pp. 77-85 ◽  
Author(s):  
M.K. Singh ◽  
Arup Banerjee ◽  
P.K. Gupta
Keyword(s):  
Energy Model ◽  
Growth Morphology ◽  
Crystalline Urea ◽  
Attachment Energy

Crystal morphology prediction of energetic materials grown from solution: insights into the accurate calculation of attachment energies

CrystEngComm ◽  
2019 ◽  
Vol 21 (33) ◽  
pp. 4910-4917 ◽  
Author(s):  
Yingzhe Liu ◽  
Shiyao Niu ◽  
Weipeng Lai ◽  
Tao Yu ◽  
Yiding Ma ◽  
...  
Keyword(s):  
Crystal Growth ◽  
Energetic Materials ◽  
Crystal Morphology ◽  
Energy Model ◽  
Growth Morphology ◽  
Accurate Calculation ◽  
Attachment Energy

Reasonable modifications to the attachment energy model were made for accurately predicting the crystal growth morphology of energetic materials in solution.

Prediction of the Polar Morphology of Sodium Chlorate Using a Surface-Specific Attachment Energy Model

1998 ◽  
Vol 102 (36) ◽  
pp. 7044-7049 ◽  
Author(s):  
G. Clydesdale ◽  
K. J. Roberts ◽  
G. B. Telfer ◽  
V. R. Saunders ◽  
D. Pugh ◽  
...  
Keyword(s):  
Sodium Chlorate ◽  
Energy Model ◽  
Specific Attachment ◽  
Attachment Energy

A study of solvent selectivity on the crystal morphology of FOX-7 via a modified attachment energy model

RSC Advances ◽  
2016 ◽  
Vol 6 (64) ◽  
pp. 59784-59793 ◽  
Author(s):  
Qiangli Zhao ◽  
Ning Liu ◽  
Bozhou Wang ◽  
Wenliang Wang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Crystal Morphology ◽  
Energy Model ◽  
Solvent Selectivity ◽  
Dynamics Simulations ◽  
Attachment Energy

The crystal morphology of FOX-7 in different solvents was investigated via molecular dynamics simulations.

A study of Solvent and Antisolvent Influence on the Crystal Morphology of ϵ‐CL‐20 by a Modified Attachment Energy Model

2020 ◽  
Vol 45 (7) ◽  
pp. 1117-1128 ◽  
Author(s):  
Li Zhao ◽  
Jing Li ◽  
Jinxuan He ◽  
Peicheng Luo ◽  
Liangwei Shi ◽  
...  
Keyword(s):  
Crystal Morphology ◽  
Energy Model ◽  
Attachment Energy

Morphology control of 3-nitro-1,2,4-triazole-5-one (NTO) by molecular dynamics simulation

CrystEngComm ◽  
2018 ◽  
Vol 20 (40) ◽  
pp. 6252-6260 ◽  
Author(s):  
Jing Li ◽  
Shaohua Jin ◽  
Guanchao Lan ◽  
Xiao Ma ◽  
Jian Ruan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Md Simulation ◽  
Morphology Control ◽  
Simulation Method ◽  
Energy Model ◽  
Dynamics Simulation ◽  
Water Effect ◽  
Ethanol Effect ◽  
Attachment Energy

The vacuum, water-effect and ethanol-effect morphology of 3-nitro-1,2,4-triazole-5-one (NTO) is simulated using the attachment energy model by the molecular dynamics (MD) simulation method.

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