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Of all the MD simulations, calculation of forces acting on atoms is the most consuming work.
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In the PLUM method simulations, calculations were done at 1-s intervals and delays related to computation and data transmission were not taken into account.
The simulation calculation for sphere-packed electrode impedance was performed.
And the experimental results were well fit with those results from simulation calculation.
The temperature range for simulation calculation was 298 K–360 K and the pressure range was 0 10 bar.
To solve the problem, experimental study and simulation calculation were conducted to optimise the structure of CNTFC.
Finally, simulation calculation was performed under arbitrary conditions to provide valuable information for design of pilot-plant scale reactors.
Based on the concept of electric charge state, the simulation calculation of the composition demixing effect was carried out.
In this work, the temperature effects on the nanocomposite are studied by both experiment investigation and simulation calculation.
The simulation calculation results suggest that the tetrahedral coordinated MoO2(OH)2 should be the possible mobile Mo species in ZSM-5 zeolite pores.
After taking the fire smoke control measures into account, we performed simulation calculation to determine the best and fastest way for miners' escape.
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