The molecular structure of a material determines its mechanical, thermal and che mical properties.

Thus, to better understand characteristic mechanical properties like damping behavior or softeni ng, in principle, one just has to model the interactions of a sufficiently large number of atoms. Various force field ap proaches have been proposed for that purpose, which are based on molecular-dynamic simulations, or rather quantum-mec hanical ab initio calculations. They provide the potential energy of a structure in dependence of sort and numbe r of chemical and physical bonds. In general, the different energy forms can be represente truss, beam or shell el ements are not very appliome this disadvantage, a new 4-node finite element is intre is capable of r eprenical perspective, the absence of rotationstraiof a finite element code. However, standared by nonlinear normal, b ending and torsional springs which suggests the use nal degrees of freedom. For example, a bending of beam elements would le ad to unrealistic coements likd finite elnts of neighboring molecular groups. In order to overcifferent energy forms exactly.oduced, which u ses only translational degrees of freedom and therefor