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This work introduces a method for generating generalized structures of amorphous polymers using simulated polymerization and molecular dynamics equilibration, with a particular focus on amorphous polymers. The techniques and algorithms used…
Polymer nanocomposites based on 2D materials as fillers are the target in the industrial sector, but the ability to manufacture them on a large scale is very limited, and there is a lack of tools to scale up the manufacturing process of…
Fragility is an empirical property that describes how abruptly a glass-forming material solidifies upon supercooling. The degree of fragility carries important implications for the functionality and processability of a material, as well as…
We have investigated the reduction of the glass transition temperature, $T_g$, for thin supported films of particularly small molecular weight ($M_W$ = 2 kg/mol) polystyrene, and found good agreement with earlier studies on larger…
Over the past two decades polymer nanocomposites have received tremendous interest from industry and academia due to their advanced properties comparative to polymer blends. Many computational studies have revealed that the macroscopic…
The combination of Finite Element Method (FEM) simulation and experimental photo-elasticity provides both qualitative and quantitative information about the stress field in a polymer composite and particularly along the fibre-matrix…
The microstructure critically governs the properties of materials used in energy and chemical engineering technologies, from catalysts and filters to thermal insulators and sensors. Therefore, accurate design is based on quantitative…
Polymers are widely used in industry and in our daily life because of their diverse functionality, light weight, low cost and excellent chemical stability. However, on some applications such as heat exchangers and electronic packaging, the…
Polymer blends offer an exciting material for various potential applications due to their tunable properties by varying constituting components and their relative composition. Our simulation results unravel an intrinsic relationship between…
Fabrication imperfections must be considered during configuration to ensure that the setup is suitable for the actual fabricated programmable photonic integrated circuits (PPICs). Therefore, characterization of imperfections is crucial but…
While learning from demonstrations is powerful for acquiring visuomotor policies, high-performance imitation without large demonstration datasets remains challenging for tasks requiring precise, long-horizon manipulation. This paper…
Most technical polymers and many biopolymers contain very different molecular species (unlike chain length, molecular architecture and/or chemical composition) in contrast to pure low molecular weight compounds. This inconsistent…
Polymer glasses have numerous advantageous mechanical properties in comparison to other materials. One of the most useful is the high degree of toughness that can be achieved due to significant yield occurring in the material. Remarkably,…
Mathematical modelling is used to examine the unsteady problem of heating and pulling an axisymmetric cylindrical glass tube with an over-pressure applied within the tube to form tapers with a near uniform bore and small wall thickness at…
We are presenting a new method of processing polystyrene-silica nanocomposites, which results in a very well-defined dispersion of small primary aggregates (assembly of 15 nanoparticles of 10 nm diameter) in the matrix. The process is based…
Particulate reinforcement of polymeric matrices is a powerful technique for tailoring the mechanical and degradation properties of bioresorbable implant materials. Dispersion of inorganic particles is critical to achieving optimal…
A computer simulation model is used to study the density profile and flow of a miscible gaseous fluid mixture consisting of differing constituent masses ($m_A = m_B/3$) through an open matrix. The density profile is found to decay with the…
Abstract polymer models are systems of weighted objects, called polymers, equipped with an incompatibility relation. An important quantity associated with such models is the partition function, which is the weighted sum over all sets of…
Fiber orientation is decisive for the mechanical performance of composite materials. During manufacturing, variations in material and process parameters can influence fiber orientation. We employ multilevel polynomial surrogates to model…
We use a simple and efficient computer model to investigate the physical properties of bilayer membranes. The amphiphilic molecules are modeled as short rigid trimers with finite range pair interactions between them. The pair potentials…