Molecular Modeling and Multiscaling Issues for Electronic Material Applications

Volume 2

Artur Wymysłowski, Nancy Iwamoto, Matthew Yuen, Haibo Fan (Herausgeber)

Buch | Hardcover

XVIII, 198 Seiten

2014 | 2015. Auflage
Springer International Publishing (Verlag)
978-3-319-11088-2 (ISBN)

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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

Part I Molecular properties using quantum mechanics and molecular dynamics.- Anisotropic Strain field induced change of the electronic conductivity of graphene sheets and carbon nanotubes.- Molecular modeling of the conductivity changes of the emeraldine base polyaniline due to protonic acid coping.- Non-equilibrium molecular dynamics simulation of heat transfer in carbon nanotubes-verification and model validation.- Study on thermal conductivity of Boron nitride in hexagonal structure in atomistic scale by using non-equilibrium molecular dynamics technique.- Part II Interface dominated properties.- Molecular dynamics simulation for electronic packaging.- Comparative Characterization of Chip to epoxy interfaces by molecular modeling and contact angle determination.- Molecular dynamics study of the traction-displacement relations of epoxy-copper interfaces.- Investigation of benzenethiol materials as adhesion promoter for Cu/epoxy interface using molecular dynamics simulation.- Transport of Moisture and epoxy-SiO2 interfaces investigated by molecular modelling.- Study of CNT growth termination mechanisms: effect of catalyst diffusion.- Sintering Process of silver nanoparticles in ink-jet printed conductive microstructures-molecular dynamics approach.- Wettability of organic ferroelectric material on metal substrate.- Moisture Transport and swelling stresses at Moulding Compound substrate interfaces investigated by molecular modeling and finite element simulations.- Application of molecular modeling for analysis of a surface energy and its comparison with the experimental results based on wetting angle measurement.- Molecular dynamics simulations for mechanical characterization of CNT/Gold Interfaces and its bonding strength.- Part III Fracture and Physical failure.- Developing the mesoscale stress-strain curve to failure.- Molecularly Derived mesoscale modeling of an Epoxy/Cu Interface: interface roughness.- Establishment of the mesoscale parameters for epoxy copper interfacial separation.- Buckling analysis of carbon nanotubes and the influence of defect position.- Influence of conversion level on simulation results of crosslinked polymers.- Fracture mechanics and it's applications in microsystem packaging.

Sprache	englisch
Maße	155 x 235 mm
Einbandart	gebunden
Themenwelt	Technik ► Elektrotechnik / Energietechnik
Schlagworte	Atomistic scale • Electronic materials • Elektronikbauelemente • Molecular Modeling • multiscale modeling • quantum mechanics
ISBN-10	3-319-11088-8 / 3319110888
ISBN-13	978-3-319-11088-2 / 9783319110882
Zustand	Neuware