Related papers: Understanding Polymer-Colloid Gels: A Solvent Pers…
In this letter, we investigate the transient rheological behavior of immersed granular flows using both experiments of submerged granular column collapses and corresponding numerical simulations. The simulations are performed with the…
We present TTCF4LAMMPS, a toolkit for performing non-equilibrium molecular dynamics (NEMD) simulations to study fluid behaviour at low shear rates using the LAMMPS software. By combining direct NEMD simulations and the transient-time…
Specific heat and linear thermal expansivity are fundamental thermal dynamics and have been proven as interesting relaxing quantities to investigate in glass transition and glassy state. However, their possibility has much less been…
By means of atomistic molecular dynamics simulations we investigate the behaviour of poly(N-isopropylacrylamide), PNIPAM, in water at temperatures below and above the lower critical solution temperature (LCST), including the undercooled…
Viscoelastic and thermodynamic properties of transient gels comprised of telechelic polymers are theoretically studied. We extend classical theories of transient networks so that correlations among polymer chains through the network…
Colloidal dispersions are commonly encountered in everyday life and represent an important class of complex fluid. Of particular significance for many commercial products and industrial processes is the ability to control and manipulate the…
Plasmonic nanoparticles (NPs) integrated within thermoresponsive polymeric microgels provide a versatile platform for the realization of stimuli-responsive optical materials, where the microgel volume phase transition enables dynamic…
We present Molecular Dynamics simulations of the thermal glass transition in a dense model polymer liquid. We performed a comparative study of both constant volume and constant pressure cooling of the polymer melt. Great emphasis was laid…
Molecular rotors form twisted conformations upon photoexcitation, with their fluorescent relaxation time serving as a measure of viscosity. They have been used to assess membrane viscosities but yield higher values compared to other…
A coarse-graining strategy for dilute and semi-dilute solutions of interacting polymers, and of colloid polymer mixtures is briefly described. Monomer degrees of freedom are traced out to derive an effective, state dependent pair potential…
Diamond is increasingly popular because of its unique material properties. Diamond defects called nitrogen vacancy (NV) centers allow measurements with unprecedented sensitivity. However, to achieve ideal sensing performance NV centers need…
Gelation of colloidal nanocrystals (NCs) emerged as a strategy to preserve inherent nanoscale properties in multiscale architectures. Yet available gelation methods still struggle to reliably control nanoscale optical phenomena such as…
We develop a new quantitative molecular theory of liquid-phase dipolar polymer gels. We model monomer units of the polymer network as a couple of charged sites separated by a fluctuating distance. For the first time, within the random phase…
We study the role of hydrodynamic interactions for the relaxation of segments' orientations in dendrimers. The dynamics is considered in the Zimm framework. It is shown that inclusion of correlations between segments' orientations plays a…
Theoretical approaches are formulated to investigate the molecular mobility under various cooling rates of amorphous drugs. We describe the structural relaxation of a tagged molecule as a coupled process of cage-scale dynamics and…
The molecular dynamics (MD) simulation study of solvation structure and free energetics in 1-ethyl-3-methylimidazolium chloride and 1-ethyl-3-methylimidazolium hexafluorophosphate using a probe solute in the preceding article [Y. Shim, M.…
Magnetic nanoparticle based hyperthermia emerged as a potential tool for treating malignant tumours. The efficiency of the method relies on the knowledge of magnetic properties of the samples; in particular, knowledge of the frequency…
In an earlier preprint (V. V. Ginzburg, O. V. Gendelman, R. Casalini, and A. Zaccone, arxiv:2409.17291), we demonstrated that the dynamic (relaxation time) and volume equations of state for many amorphous polymers are near-universal -- each…
We present a fast field-cycling NMR relaxometer with added magnetic resonance imaging capabilities. The instrument operates at a maximum proton Larmor frequency of 5 MHz for a sample volume of 35 mL. The magnetic field homogeneity across…
Ionic microgel particles are intriguing systems in which the properties of thermo-responsive polymeric colloids are enriched by the presence of charged groups. In order to rationalize their properties and predict the behaviour of microgel…