Related papers: Polystyrene-based nanocomposites with different fi…
We present a model to study Young's modulus and Poisson's ratio of the composite material of amorphous nanowires. It is an extension of the model derived by two of us [Da Fonseca and Galvao, Phys. Rev. Lett. 92, 175502 (2004)] to study the…
Polyurethane and polyurea-based adhesives are widely used in various applications, from automotive to electronics to medical. The adhesive performance depends strongly on its composition, and developing the formulation-structure-property…
Fluids confined in nanopores exhibit properties different from the properties of the same fluids in bulk, among these properties are the isothermal compressibility or elastic modulus. The modulus of a fluid in nanopores can be extracted…
Nanocrystalline bulk materials are desirable for many applications as they combine mechanical strength and specific electronic transport properties. Our bottom up approach starts with tailored nanoparticles. Compaction and thermal treatment…
We investigate the mechanical properties of $\pi$-conjugated polymeric materials composed of regioregular poly(3-hexylthiophene) (P3HT) and fullerene C$_{60}$ using coarse-grained molecular dynamics simulations. Specifically, we perform…
Metamaterials exhibit materials response deviation from conventional elasticity. This phenomenon is captured by the generalized elasticity as a result of extending the theory at the expense of introducing additional parameters. These…
The blends and hybrid nanocomposites of polypropylene - cycloolefin copolymer were prepared by a twin-screw extruder followed by microfibril formation using a single screw extruder. The effects of shear rate and organoclay on the morphology…
Microcapsules are commonly used in applications ranging from therapeutics to personal care products due to their ability to deliver encapsulated species through their porous shells. Here, we demonstrate a simple and scalable approach to…
Further exploration of hybrid organic/inorganic composites (polyurethane based with inorganic material sodium silica polyphosphate) properties with mechanical relaxometer gives ability to analyze microstructure of such materials in terms of…
The self-assembly of copolymeric vesicles and micelles in micromixers is studied by External Potential Dynamics (EPD) simulations -- a dynamic density functional approach that explicitly accounts for the polymer architecture both at the…
Multiwalled carbon nanotubes (MWCNTs) are decorated with Pt nanoparticles by a "layer-by-layer" approach using poly (sodium 4-styrene sulfonate) (PSS) and poly (diallyl dimethylammonium chloride) (PDDA). Transmission electron microscopy…
Mechanical deformation of nanopillars displays features that are distinctly different from the bulk behavior of single crystals: Yield strength increases with decreasing size and plastic deformation comes together with strain bursts or/and…
Molecular simulations provide an effective route for investigating morphology evolution and structure-property relationship in polymer-clay nanocomposites (PCNCs) incorporating layered silicates like montmorillonite (MMT), an important…
This study investigates the interfacial tension, fluid mobility, and crystallization behavior of various saline and additive-modified solutions in a microfluidic chip environment, simulating pore-scale processes during CO2 injection. The…
Filler-polymer interactions are one of the keys to understanding the physical properties of polymer composites. These interactions give rise to an interface with specific properties that may have a nontrivial effect on the macroscopic…
Effect of small additive molecules on the structural relaxation of polymer melts is investigated via molecular dynamics simulations. At a constant external pressure and a fixed number concentration of added molecules, the variation of…
Fully bioresorbable polymer matrix composites have long been considered as potential orthopaedic implant materials, however their combination of mechanical strength, stiffness, ductility and bioresorbability is also attractive for cardiac…
The influence of carbon multi-walled nanotubes (MWCNTs) and halloysite nanotubes (HNTs) on the physical, thermal, mechanical, and electrical properties of EVA (ethylene vinyl acetate) copolymer was investigated. EVA-based nanocomposites…
Micromechanical modeling and mechanical properties of polyurethane (PU) hybrid nanocomposite foams with multi-walled carbon nanotubes (MWCNTs) and graphene nanoplatelets (GNPs) were investigated by mean of tensile strength, hardness, impact…
The self-assembly of binary nanoparticle superlattices from colloidal mixtures is a promising method for the fabrication of complex colloidal co-crystal structures. However, binary mixtures often form amorphous or metastable phases instead…