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Theoretical Predictions of Lattice Parameters and Mechanical Properties of Pentaerythritol Tetranitrate under the Temperature and Pressure by Molecular Dynamics Simulations

100%
Tan J. J., Hu C., Li Y., Ge N., Chen T., Ji G.
Acta Physica Polonica A
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2017
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vol. 131
|
issue 2
318-323
EN
Molecular dynamics simulations with condensed-phase optimized molecular potentials for atomistic simulation studies force field are performed to investigate the structure, equation of state, and mechanical properties of high energetic material pentaerythritol tetranitrate. The equilibrium structural parameters, pressure-volume relationship and elastic constants at ambient conditions agree excellently with experiments. In addition, fitting the pressure-volume data to the Birch-Murnaghan or Murnaghan equation of state, the bulk modulus B₀ and its first pressure derivative B'₀ are obtained. Moreover, the elastic constants are calculated in the pressure range of 0-10 GPa at room temperature and in the temperature range of 200-400 K at the standard pressure, respectively. By the Voigt-Reuss-Hill approximation, the mechanical properties such as bulk modulus B, shear modulus G, and the Young modulus E are also obtained successfully. The predicted physical properties under temperature and pressure can provide powerful guidelines for the engineering application and further experimental investigations.
2
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Lattice model with power-law spatial dispersion for fractional elasticity

100%
Tarasov V.
Open Physics
|
2013
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vol. 11
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issue 11
1580-1588
EN
A lattice model with a spatial dispersion corresponding to a power-law type is suggested. This model serves as a microscopic model for elastic continuum with power-law non-locality. We prove that the continuous limit maps of the equations for the lattice with the power-law spatial dispersion into the continuum equations with fractional generalizations of the Laplacian operators. The suggested continuum equations, which are obtained from the lattice model, are fractional generalizations of the integral and gradient elasticity models. These equations of fractional elasticity are solved for two special static cases: fractional integral elasticity and fractional gradient elasticity.
3

Modelling of load-displacement curves obtained from scaffold components tests

100%
Błazik-Borowa E., Szer J., Borowa A., Robak A., Pieńko M.
Bulletin of the Polish Academy of Sciences: Technical Sciences
|
2019
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issue 2
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