A molecular dynamics simulation study of elastic properties of HMX

A molecular dynamics simulation study of elastic properties of HMX. Thomas D. Sewell and Ralph Menikoff. Theoretical Division, Detonation ...

A molecular dynamics simulation study of elastic properties of HMX ... Atomistic simulations were used to calculate the isothermal elastic ...

A molecular dynamics simulation study of elastic properties of HMX ...

Atomistic simulations were used to calculate the isothermal elastic properties for β-, α-, and δ-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

Molecular dynamics simulation study of elastic properties of HMX

Based upon simulation results and reanalysis of experimental data, the commonly accepted value of the initial isothermal bulk modulus for β-HMX should be ...

ELASTIC PROPERTIES OF HMX

Atomistic molecular dynamics simulations have been used to calculate isothermal elastic properties for P-, a-, and 5-HMX. The complete elastic tensor for ...

[PDF] A molecular dynamics simulation study of elastic properties of ...

Atomistic simulations were used to calculate the isothermal elastic properties for β-, α-, and δ-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

Molecular dynamics simulation of isotherm and elastic properties of ...

Abstract. The isotherms and elastic properties of β-HMX crystals were calculated through molecular simulations in NPT ensemble using COMPASS force field. The ...

Elastic properties of HMX. (Conference) | OSTI.GOV

Atomistic molecular dynamics simulations have been used to calculate isothermal elastic properties for {beta}-, {alpha}-, and {delta}-HMX. The complete elastic ...

[PDF] Simulation study of the elastic mechanical properties of HMX ...

Results of calculations of the elastic mechanical response of crystalline HMX polymorphs are summarized. The work is based on atomistic molecular dynamics ...

Simulation study of the elastic mechanical properties of HMX ...

Results of calculations of the elastic mechanical response of crystalline HMX polymorphs are summarized. The work is based on atomistic molecular dynamics and ...

Study on structure, sensitivity and mechanical properties of HMX ...

Zhu, H.M. Xiao, Molecular dynamics simulations of polymer bonded-explosives (PBXs): modelling, elastic properties and their dependence on temperatures and ...

Predicting Elastic Properties of β-HMX from First-Principles ...

Microscopic study of the equation of state of β-HMX using reactive molecular dynamics simulations. RSC Advances 2015, 5 (69) , 55892-55900 ...

Study on structure, sensitivity and mechanical properties of HMX ...

Molecular dynamics simulation was applied to investigate structures, sensitivity and mechanical properties of β-HMX (β-cyclotetramethylene tetranitramine) ...

A novel model for the molecular dynamics simulation study on ...

molecular dynamics · model · mechanical properties · HMX · polymer-bonded explosives (PBXs). Acknowledgements. We gratefully thank the ...

Elastic Coefficients of β-HMX as Functions of Pressure and ... - MDPI

... A molecular dynamics simulation study of elastic properties of HMX. J. Chem. Phys. 2003, 119, 7417–7426. [Google Scholar] [CrossRef]; Mathew ...

Predicting Elastic Properties of β-HMX from First ... - Qing Peng

Interatomic potential parameters for molecular dynamics simulations of RDX using a reactive force field: A validation study. J. Phys. Conf. Ser.

Pressure‐dependent Elastic Coefficients of β‐HMX from Molecular ...

Smith, A molecular dynamics simulation study of elastic properties of HMX, J. Chem. Phys. 2003, 119, 7417–7426. Google Scholar. 8E. Jaramillo ...

A molecular dynamics simulation study to investigate the elastic ...

A molecular dynamics simulation study to investigate the elastic properties of PVDF and POSS nanocomposites, Fan-lin Zeng, Yi Sun, Yu Zhou, ...

MD Simulation on the Structure and Properties of Different Models ...

Molecular dynamics (MD) simulation was applied to investigate cyclotetramethylene (HMX) crystal at 295K using COMPASS force field with the ...

Journal of Materials Chemistry A (RSC Publishing)

Comparative study on structure, energetic and mechanical properties of a ε-CL-20/HMX cocrystal and its composite with molecular dynamics simulation. Check ...