Final Report Summary - NANOINTERFACE (Knowledge-based multi-scale modelling of metal-oxide-polymer interface behaviour for micro- and nanoelectronics)
In the NanoInterface project a multi-scale modelling approach has been developed to describe the failure behaviour of metal-oxide-polymer materials systems which cover approximately 95% of all interfaces in microelectronic components. To achieve this, dedicated models at atomic, mesoscopic, microscopic, and macroscopic scale have been developed. In addition, micro- and nano-scale characterization techniques have been developed and applied. The developments in the project have been focussed on the simple and complex carrier systems, defined and processed by the industrial partners. The project team was comprised by industrial partners, research institutes, universities and a commercial software developer.
More specifically, first, the materials, parameters, tests, test conditions, two simple and two complex industrial carriers have been fully specified. Following these choices, the multi-scale framework has been established, based on a sequential approach. For this framework, a new cross-linking procedure for simulating the polymer network formation with MD has been developed. As a result, material properties of the epoxy moulding compound and interfacial interaction energy levels of EMC/copper and EMC/cuprous oxide have been calculated. Tools and scripts have been developed to model the following materials and interfaces at atomic and meso-scopic scale: Cu, CuO, Cu2O, cross-linked EMC, EMC/SiO2, EMC/Cu, and Cu(111)/Cu2O(111). To this end, a new interatomic potential for Cu2O has been developed. Furthermore, a traction-separation law for EMC/Cu at the micro-scale has been created. Also, meso-scale models have been developed which include the use of a bead bond failure criterion allowing more realistic simulations of the adhesive interface and generation of the full stress-strain curve to complete failure. A coarse-grained MD environment, called Mesocite, has been developed and is a state-of-the-art coarse-grained simulation module for the study of materials at length scales ranging from nanometers to micrometers and time scales from nanoseconds to microseconds, which is required for the project. A micro-scale model based on numerical fracture mechanics has been established including adhesive and cohesive failure at a roughened polymermetal interface. Dielectric properties of a composite containing longitudinal cracks have been determined. Additionally, a correlation between the temperature dependency of bulk modulus and the dielectric permittivity of the EMC material has been formulated.
Experimental characterisation methods to measure the bulk and interface properties have been established. Consequently, the thermo-mechanical properties of the materials and interfaces have been determined, dependent on processing conditions. Surface and structure analysis on the microand nano-scale has been performed on the moulding compound, copper and its oxides, and the interfaces by means of SEM, FIB, EDX, AFM, AES, EBSD, FIBDAC and RAMAN. The thus developed experience of the applied characterisation methods is used to formulate guidelines and good practices which can be passed on to avoid repetition of mistakes or retrying dead-ends. Two technological test carriers have been produced and modelled with 3D finite element simulations. From these models, design and reliability guidelines have been formulated with respect to delamination risk.
More specifically, first, the materials, parameters, tests, test conditions, two simple and two complex industrial carriers have been fully specified. Following these choices, the multi-scale framework has been established, based on a sequential approach. For this framework, a new cross-linking procedure for simulating the polymer network formation with MD has been developed. As a result, material properties of the epoxy moulding compound and interfacial interaction energy levels of EMC/copper and EMC/cuprous oxide have been calculated. Tools and scripts have been developed to model the following materials and interfaces at atomic and meso-scopic scale: Cu, CuO, Cu2O, cross-linked EMC, EMC/SiO2, EMC/Cu, and Cu(111)/Cu2O(111). To this end, a new interatomic potential for Cu2O has been developed. Furthermore, a traction-separation law for EMC/Cu at the micro-scale has been created. Also, meso-scale models have been developed which include the use of a bead bond failure criterion allowing more realistic simulations of the adhesive interface and generation of the full stress-strain curve to complete failure. A coarse-grained MD environment, called Mesocite, has been developed and is a state-of-the-art coarse-grained simulation module for the study of materials at length scales ranging from nanometers to micrometers and time scales from nanoseconds to microseconds, which is required for the project. A micro-scale model based on numerical fracture mechanics has been established including adhesive and cohesive failure at a roughened polymermetal interface. Dielectric properties of a composite containing longitudinal cracks have been determined. Additionally, a correlation between the temperature dependency of bulk modulus and the dielectric permittivity of the EMC material has been formulated.
Experimental characterisation methods to measure the bulk and interface properties have been established. Consequently, the thermo-mechanical properties of the materials and interfaces have been determined, dependent on processing conditions. Surface and structure analysis on the microand nano-scale has been performed on the moulding compound, copper and its oxides, and the interfaces by means of SEM, FIB, EDX, AFM, AES, EBSD, FIBDAC and RAMAN. The thus developed experience of the applied characterisation methods is used to formulate guidelines and good practices which can be passed on to avoid repetition of mistakes or retrying dead-ends. Two technological test carriers have been produced and modelled with 3D finite element simulations. From these models, design and reliability guidelines have been formulated with respect to delamination risk.
