相关论文: On modifying properties of polymeric melts by nano…
We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…
Predicting segregation of granular materials composed of different-sized particles is a challenging problem. In this paper, we develop and implement a theoretical model that captures the interplay between advection, segregation, and…
Lipid nanoparticles (LNPs) are precisely engineered drug delivery carriers commonly produced through controlled mixing processes, such as nanoprecipitation. Since their delivery efficacy greatly depends on particle size, numerous studies…
Molecular dynamics simulations of a short-chain polymer melt between two brush-covered surfaces under shear have been performed. The end-grafted polymers which constitute the brush have the same chemical properties as the free chains in the…
We investigate the effect of thermal fluctuations on the mechanical properties of nanotubes by employing tools from statistical physics. For 2D sheets it was previously shown that thermal fluctuations effectively renormalize elastic moduli…
Consider a model of particles (nucleons) which has a two-body interaction which leads to bound composites with saturation properties. These properties are : all composites have the same density and the ground state energies of composites…
Adding plasticizers is a well-known procedure to reduce the glass transition temperature in polymers. It has been recently shown that this effect shows a non-monotonic dependence on the size of additive molecules [The Journal of Chemical…
We report numerical investigations of a three-dimensional model of diffusive growth of fine particles, the internal structure of which corresponds to different crystal lattices. A growing cluster (particle) is immersed in, and exchanges…
Multipolar plasmon oscillation frequencies and corresponding damping rates for nanospheres formed of the simplest free-electron metals are studied. The possibility of controlling plasmon features by choosing the size and dielectric…
We study how the thermodynamic properties of the Triangular Plaquette Model (TPM) are influenced by the addition of extra interactions. The thermodynamics of the original TPM is trivial, while its dynamics is glassy, as usual in Kinetically…
Test area deformations are used to analyse vapour-liquid interfaces of Lennard-Jones particles by molecular dynamics simulation. For planar vapour-liquid interfaces the change in free energy is captured by the average of the corresponding…
Nanoparticles (NPs) make for intriguing heterogeneous catalysts due to their large active surface area and excellent and often size-dependent catalytic properties that emerge from a multitude of chemically different surface reaction sites.…
Here we report the linear viscoelastic properties of amorphous poly(tetramethylene oxide) (PTMO), which is one of the key components in synthesizing segmented polyurethane (PU) elastomers. The temperature and molecular weight dependent…
The jamming transition of soft particles characterized by narrow size distributions has been well studied by physicists. However, polydispersed systems are more relevant to engineering, and the influence of polydispersity on jamming…
The atomistic structure of metallic glasses is closely related to properties such as strength and ductility. Here, Ni1-xBx metallic glass nanoparticles of two different sizes are compressed under quasi-hydrostatic high-pressure conditions…
We analyze the thermodynamical properties of a system of strongly interacting particles at vanishing quark chemical potential in the framework of a recently developed extension of the Polyakov-Nambu-Jona-Lasinio Model. In addition to eight…
A simple three-dimensional model of a fluid whose constituent particles interact via a short range attractive and long range repulsive potential is used to model the aggregation into large spherical-like clusters made up of hundreds of…
NPs are ultrafine-grain crystal or amorphous substances which are as small as 100nm. They have unique physical, chemical and mechanical properties, which are very different from those of large scale materials. This uniqueness is attributed…
We carry out a direct comparison of experimental and numerical realizations of the exact same granular system as it undergoes shear jamming. We adjust the numerical methods used to optimally represent the experimental settings and outcomes…
Droplet-based interphase synthesis provides means to produce nanoparticles with low polydispersity by controlling mass transport through droplet dynamics. An experimentally validated model, based on coupled computational fluid dynamics with…