Print Email Facebook Twitter Establishment of the coarse grained parameters for epoxy-copper interfacial separation Title Establishment of the coarse grained parameters for epoxy-copper interfacial separation Author Wong, C.K.Y. Leung, S.Y.Y. Poelma, R.H. Jansen, K.M.B. Yuan, C.C.A. Van Driel, W.D. Zhang, G. Faculty Delft University of Technology Date 2012-05-09 Abstract Atomistic coarse grained parameters were calculated from a non-equilibrium molecular dynamics simulation of the separation of an epoxy-copper interface. The methodology to determine the interaction energy and the equilibrium distance between the interfacial materials at a minimum energy is established. The traction-displacement relations of the separation under the influence of time taken for atomic interaction, displacement step, and molecular size have been studied. The study illustrates that the control of the time step in the molecular dynamics models is important to ensure a proper separation simulation. The result shows close matching with the thermodynamics work of adhesion. An analytical scheme to determine the coarse grained parameters from the relations is discussed. The proposed methodology contributes to the interpretation of interfacial adhesion beyond the continuum framework. Subject adhesioncopperinterface structuremetal-insulator boundariesmolecular dynamics methodresins To reference this document use: http://resolver.tudelft.nl/uuid:1b335e74-1314-4f29-8a0a-81838aabfa0e DOI https://doi.org/10.1063/1.4712060 Publisher American Physical Society ISSN 0021-8979 Source http://jap.aip.org/resource/1/japiau/v111/i9/p094906_s1 Source Journal of Applied Physics, 111 (9), 2012 Part of collection Institutional Repository Document type journal article Rights © 2012 The Author(s)American Institute of Physics Files PDF Poelma_2012.pdf 1.52 MB Close viewer /islandora/object/uuid:1b335e74-1314-4f29-8a0a-81838aabfa0e/datastream/OBJ/view