CONTRIBUTION TO FORCE FIELD MODELING & ENERGY MINIMIZATION OF NANOSTRUCTURES
The potential energy of molecules and nanostructures is commonly calculated in the molecular mechanics formalism by superimposing bonded and nonbonded atomic energy terms. In this work a new, generalized numerical simulation is presented for studying the mechanical behaviour of three-dimension...
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| Άλλοι συγγραφείς: | |
| Μορφή: | doctoralThesis |
| Γλώσσα: | English |
| Έκδοση: |
Σχολή Πολιτικών Μηχανικών
2018
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| Διαθέσιμο Online: | http://dspace.lib.ntua.gr/handle/123456789/46915 |