Abstract
Molecular dynamics deals with the simulation of substances on the molecular or atomic level. This means that at least every molecule, if not even every atom, is considered separately in the simulation domain. Thus it is immediately apparent that the domains in question must be very small. One mole of a substance contains approximately 6 ⋅ 1023 particles. For an ideal gas, one mole corresponds to 22. 4 liters while for solids the volume of this quantity is obviously very much smaller. Furthermore, because the simulation over meaningful time periods requires a large number of simulation time steps, the simulation over large domains is ruled out from the beginning. In this respect, one will probably never (at least not within a time frame from which the authors of this book will live to see it) simulate a wind channel completely on the molecular level—and this would probably be overkill, even if it was technically possible.
Keywords
- Molecular Dynamic Simulation
- Electromagnetic Force
- Simulation Domain
- Neighboring Particle
- Simulation Time Step
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Bungartz, HJ., Zimmer, S., Buchholz, M., Pflüger, D. (2014). Molecular Dynamics. In: Modeling and Simulation. Springer Undergraduate Texts in Mathematics and Technology. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-39524-6_13
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DOI: https://doi.org/10.1007/978-3-642-39524-6_13
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