通过原子模拟测试聚合物纳米复合物的线性到塑料的过渡:介面相的作用

Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...

A material's elastic behavior is characterized by the disappearance of stress once the load is removed, allowing the material to return to its original state. However, when stress surpasses the yield point, yielding commences, marking the onset of plastic deformation or permanent set. This change from elastic to plastic behavior is influenced by the peak stress value and the duration before the load is removed. An intriguing observation occurs when a specimen is loaded, unloaded, and...

Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...

Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...

Plastic deformation represents a fundamental concept in materials science, which explains the irreversible change in the shape of a material when it experiences stress beyond its elastic capability. This phenomenon is important in structural engineering, especially in designing and analyzing cantilever beams—structures that are securely fixed at one end and bear loads at the opposite end. When these beams are subjected to loads within their elastic range, they will return to their...

Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...