相关论文: Why is the strength of an elastomeric polymer netw…
Molecular dynamics simulations are used to investigate the conformations of a single polymer chain, represented by the Kremer-Grest bead-spring model, in a solution with a Lennard-Jones liquid as the solvent when the interaction strength…
The two approaches to analyzing the large strain behavior of rubbery networks are phenomenologically, using strain energy functions drawn from continuum mechanics, and molecular models, which apply statistical mechanics to compute the…
Topological entanglements in polymers are mimicked by sliding rings (slip-links) which enforce pair contacts between monomers. We study the force-extension curve for linear polymers in which slip-links create additional loops of variable…
The concept of network immunity, i.e., the robustness of the network connectivity after a random deletion of edges or vertices, has been investigated in biological or communication networks. We apply this concept to a self-assembling,…
A copolymer is a chain of repetitive units (monomers) that are almost identical, but they differ in their degree of affinity for certain solvents. This difference leads to striking phenomena when the polymer fluctuates in a nonhomogeneous…
The mechanical properties of a polymeric network containing both crosslinks and sliplinks (entanglements) are studied using a multi-chain Brownian dynamics simulation. We coarse-grain at the level of chain segments connecting consecutive…
Collapse of the polymer chain upon the sharp decrease of solvent quality is studied. During collapse, any pair of polymer units appearing in a sufficiently close vicinity in space has the possibility with a certain probability to form an…
The strength of a simple soft bond under constant loading rate is studied theoretically. We find a scaling regime where rebinding is negligible and the rupture force of the bond scales as $const. + (\ln (kv))^{2/3}$, where $kv$ is the…
Chain-like macromolecules in solution, whether biological or synthetic, transform from an extended conformation to a compact one when temperature or other system parameters change. This collapse transition is relevant in various phenomena,…
We perform extensive molecular dynamics simulations of a highly charged flexible polyelectrolyte (PE) chain in a poor solvent for the case when the chain is in a collapsed state and the electrostatic interactions, characterized by the…
Polymer entanglements lead to complicated topological constraints and interactions between neighbouring chains in a dense solution or melt. Entanglements can be treated in a mean field approach, within the famous reptation model, since they…
By performing extensive simulations with unprecedentedly large system sizes, we unveil how rigidity influences the fracture of disordered materials. We observe the largest damage in networks with connectivity close to the isostatic point…
We investigate the dynamics of the collapse of a single copolymer chain, when the solvent quality is suddenly quenched from good to poor. We employ Brownian dynamics simulations of a bead-spring chain model and incorporate fluctuating…
Double network hydrogels show remarkable mechanical performance, combining high strength and fracture toughness with sufficient stiffness to bear load, despite containing only a low density of cross-linked polymer molecules in water. We…
Double polymer networks exhibit a striking enhancement of toughness compared to single networks, yet the microscopic mechanisms governing stress redistribution, damage evolution, and fracture remain incompletely understood. Using…
We analyze the interaction of two conducting, charged polymer chains in solution using a minimal model for their electronic degrees of freedom. We show that a crossing of the two chains in which the polymers pass within Angstroms of each…
Biological adhesion often involves several pairs of specific receptor-ligand molecules. Using rate equations, we study theoretically the rupture of such multiple parallel bonds under dynamic loading assisted by thermal activation. For a…
While polymer solutions lack the mechanical stability only transiently cross-linked networks can fulfill the competing requirements of structural stability and maximal energy dissipation. Here, we show that transient cross-links entail…
By phantom chain simulations, it has been recently discovered that the fracture characteristics of star polymer networks with different node functionality and conversion ratios can be described by the cycle rank of the networks [Masubuchi…
Discrete mesoscale network models, in which explicitly modeled polymer chains are replaced by implicit pairwise potentials, are capable of predicting the macroscale mechanical response of polymeric materials such as elastomers and gels,…