Related papers: Molecular Dynamics Study to Predict Thermo-Mechani…
Epoxy resins are widely used polymer matrices for numerous applications. Despite substantial advances, the molecular-level knowledge-base required to exploit these materials to their full potential remains limited. A deeper comprehension of…
Herein, epoxy resin is cured by coupling quantum chemical (QC) calculations with molecular dynamics (MD) simulations that enable parameter-free prediction of material characteristics. A polymer network is formed by the reaction between base…
In this study, we investigate the influence of resin composition on the thermal and structural properties of crosslinked epoxy networks using molecular-dynamics simulations. The systems studied are based on mixtures of diglycidyl ether of…
Epoxy polymers are used in wide range of applications. The properties and performance of epoxy polymers depend upon various factors like the type of constituents and their proportions used and other process parameters. The conventional way…
Predictive computational modeling of polymer materials is necessary for the efficient design of composite materials and the corresponding processing methods. Molecular dynamics (MD) modeling is especially important for establishing accurate…
We present a quantum mechanical / molecular mechanics (QM/MM) to tackle chemical reactions with substantial molecular reorganization. For this, molecular dynamics simulations with smoothly switched interaction models are used to suggest…
This paper focuses on molecular dynamics (MD) modeling of graphene reinforced cross-linked epoxy (Gr-Ep) nanocomposite. The goal is to study the influence of geometry, and concentration of reinforcing nanographene sheet (NGS) on interfacial…
Deep eutectic solvents (DESs) have gained attention in recent years as attractive alternatives to traditional solvents. There is a growing number of publications dealing with the thermodynamic modeling of DESs highlighting the importance of…
Thermoset resin-based composite materials are widely used in the aerospace industry, mainly due to their high stiffness-to-weight and strength-to-weight ratios. A major issue with the use of thermoset resins in fiber composites is the…
The ultra-low thermal conductivity (~0.3 Wm-1K-1) of amorphous epoxy resins significantly limits their applications in electronics. Conventional top-down methods e.g. electrospinning usually result in aligned structure for linear polymers…
Epoxy resins are thermosetting polymers with an extensive set of applications such as anticorrosive coatings, adhesives, matrices for fibre reinforced composites and elements of electronic systems for automotive, aerospace and construction…
Vitrimers are a special class of polymers that undergo dynamic cross-linking under thermal stimuli. Their ability to exchange covalent bonds can be harnessed to mitigate damage in a composite or to achieve recyclable aerospace composites.…
Epoxy is widely used primarily as a matrix material in the manufacture of polymer matrix composite. Epoxy behavior under compression load has to be understood before the mechanical behavior of polymer matrix composite can be accurately…
The cytoskeleton is an active composite of filamentous proteins that dictates diverse mechanical properties and processes in eukaryotic cells by generating forces and autonomously restructuring itself. Enzymatic motors that act on the…
Dielectric elastomers (DEs) that couple deformation and electrostatics have the potential for use in soft sensors and actuators with applications ranging from robotic, biomedical, energy, aerospace and automotive technologies. However,…
Reversible crosslinking is a design paradigm for polymeric materials, wherein they are microscopically reinforced with chemical species that form transient crosslinks between the polymer chains. Besides the potential for self-healing,…
Continuous-fiber-reinforced polymers are vital for lightweight structural applications, where fiber-matrix wetting critically influences composite performance. Understanding dynamic wetting behavior during resin infiltration remains…
Feedstock deformation during 3D printing of continuous fiber composites is a critical challenge in path planning and a main driver in the generation of manufacturing defects. The proposed work addressed the feedstock deformation during the…
In this study, we develop a conditional diffusion model that proposes the optimal process parameters and predicts the microstructure for the desired mechanical properties. In materials development, it is costly to try many samples with…
Carbon fiber reinforced polymers are widely used due to their lightweight and strong structural properties and understanding their mechanical behavior is crucial for their reliable use in structural components. In this study, we evaluated…