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The study aims at developing a next-generation flip chip (FC) packaging technology that employs a novel anisotropic conductive adhesive (ACF) made of unidirectional Co-nanowire-reinforced polymer nanocomposite, and moreover, exploring the associated process-induced, thermal-mechanical behaviors during bonding process. For carrying out the process simulation, a process-dependent finite element modeling (FEM) methodology is proposed. The investigation starts from the theoretical and experimental assessments of the elastic properties the nanoscale Co metal using molecular dynamics (MD) simulations and nanoindentation testing, respectively, followed by the determination of the thermal-mechanical material properties of the nanocomposite, using the proposed FEM-based effective modeling approach. The predicted results are compared with those obtained from the widely-used rule-of-mixture (ROM) technique and existing analytical models, and also, with those from experimental measurements. At last, factors that most influence on the thermal-mechanical behaviors of the novel technology are also investigated through parametric FE analysis and Taguchi method.