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Elucidating The Interfacial Bonding Behavior Of Over-Molded Hybrid Fiber Reinforced Polymer Composites: Experiment And Multiscale Numerical Simulation, Gideon A. Lyngdoh, Sumanta Das Sep 2022

Elucidating The Interfacial Bonding Behavior Of Over-Molded Hybrid Fiber Reinforced Polymer Composites: Experiment And Multiscale Numerical Simulation, Gideon A. Lyngdoh, Sumanta Das

Faculty Publications - Biomedical, Mechanical, and Civil Engineering

This paper implements molecular dynamics (MD) simulation using reactive force field (ReaxFF) to evaluate the

atomistic origin of the interfacial behavior in the overmolded hybrid unidirectional continuous carbon fiber low-melt PAEK (CFR- LMPAEK)-short carbon fiber reinforced PEEK (SFR-PEEK) polymer composites. From the MD simulation, it was observed that the

interfacial properties improve with increasing maximum processing temperature and injection pressure although such an improving trajectory gets saturated beyond specific limits. The interfacial strength and fracture response of the hybrid polymer system at the interface are also evaluated. The mechanical responses obtained from MD simulation are used as adhesive properties in …


Combinatorial Approaches For Effective Design, Synthesis, And Optimization Of Enzyme-Based Conjugates, Jordan Scott Chapman Jan 2022

Combinatorial Approaches For Effective Design, Synthesis, And Optimization Of Enzyme-Based Conjugates, Jordan Scott Chapman

Graduate Theses, Dissertations, and Problem Reports

The specificity and efficiency with which enzymes catalyze selective chemical reactions far exceeds the performance of traditional heterogeneous catalysts that are predominant in industrial applications such as conversion of commodity chemicals to value-added products, fuel cells, and petroleum refinement. Moreover, biocatalysts exhibit exceptionally high product turnover at ambient conditions with little health and environmental burden. These advantageous qualities have led to the prolific use of enzyme catalysis in pharmaceutical, detergents, and food preservation industries wherein their use has greatly reduced waste generation, Unfortunately, the full slate of benefits that enzymes can impart to a broader range of chemical processes is …


Molecular Modeling Of High-Performance Polymers, Sagar Umesh Patil Jan 2022

Molecular Modeling Of High-Performance Polymers, Sagar Umesh Patil

Dissertations, Master's Theses and Master's Reports

High-performance polymers are extensively used in the aerospace and aeronautics industries due to their low density, high specific strength, and high specific stiffness. These properties along with better infiltration with reinforcements [carbon nanotubes (CNTs), glass, etc.] capability make them an excellent candidate to fabricate Polymer Matrix Composites (PMCs) tailored for specific applications. The applications range from products used daily to deep space exploration. These materials are subjected to varying temperatures and pressures during fabrication and in service. Therefore, the evolution of their intrinsic properties needs to be studied and their ability to sustain extreme environmental conditions in outer space needs …