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This book offers readers a snapshot of the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand materials to solve relevant issues in this field. The reader is introduced to the evolving role of molecular modeling, especially seen from the perspective of the IEEE community and modeling in electronics. This book also covers the aspects of molecular modeling needed to understand the relationship between structures and mechanical performance of materials. The authors also discuss the transitional topic of multiscale modeling and recent developments on the atomistic scale and current attempts to reach the submicron scale, as well as the role that quantum mechanics can play in performance prediction. This book also: Discusses multiscale modeling of materials at the mesoscale Highlights current state-of-the-art, novel research topics and achievements in the area of molecular modelling and multiscaling problems of electronic materials and their applications as well as atomistic modeling of mechanical properties Provides practical examples for engineers interested in molecular modeling using simulations drawn from electronic packaging, dielectric materials, and thermal and mechanical properties.

One of the major topics in novel microelectronics are thin film materials - especially their mechanical properties. Accurate description of such materials is necessary in order to assess their reliability and to predict failures in electronic devices. The mechanical attributes of thin films can be determined using the nanoindentation test. However, with this equipment it is only possible to obtain estimates elastic parameters: Young's modulus and hardness of the thin layer. In the paper, it is demonstrated that with a support of numerical methods the plastic behaviour of the material can also be extracted. The numerical FEM model of the nanoindentation test was elaborated and numerical optimization algorithms were applied. The goal was to examine the elastoplastic behaviour of the investigated thin film, which is the aluminium layer in this case. Various numerical material models were used in order to decently extract the material properties of the investigated thin layer.