相关论文: Photo-activated dynamic isomerization induced larg…

Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…

A mode-coupling theory for the slow single-particle dynamics in fluids adsorbed in disordered porous media is derived, which complements previous work on the collective dynamics [V. Krakoviack, Phys. Rev. E 75, 031503 (2007)]. Its…

Polymers are a primary building block in many biomaterials, often interacting with anisotropic backgrounds. While previous studies have considered polymer dynamics within nematic solvents, rarely are the the effects of anisotropic viscosity…

We show that the force generated by active enzyme molecules are strong enough to influence the dynamics of their surroundings under artificial crowded environments. We measured the behavior of polymer microparticles in a…

Recent results have shown the appearance of induced cooperative motions called dynamic heterogeneity during the isomerization of diluted azobenzene molecules in a host glass-former. In this paper we raise the issue of the coupling between…

The glass transition in binary mixtures of star polymers is studied by mode coupling theory and extensive molecular dynamics computer simulations. In particular, we have explored vitrification in the parameter space of size asymmetry…

While the dynamics of polymer chains in equilibrium media is well understood by now, the polymer dynamics in active non-equilibrium environments can be very different. Here we study the dynamics of polymers in a viscous medium containing…

The emergent photoactive materials through photochemistry make it possible to directly convert photon energy to mechanical work. There is much recent work in developing appropriate materials and a promising new system is semi-crystalline…

Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in…

We report on what we believe is the first demonstration of an optically activated cantilever due to photomechanical effects in a dye-doped polymer optical fiber. The fiber is observed to bend when light is launched off-axis. The…

In a first-principles study based on many-body perturbation theory, we analyze the optical excitations of azobenzene-functionalized SAMs with increasing packing density and different terminations, considering for comparison the…

The dynamics of structural relaxation in a model polymer glass subject to spatially-homogeneous, time-periodic shear deformation is investigated using molecular dynamics simulations. We study a coarse-grained bead-spring model of short…

We have studied the electron hopping in a two-CdSe quantum dot system linked by an azobenzene-derived light-switching molecule. This system can be considered as a prototype of a QD supercrystal. Following the computational strategies given…

Strong light-matter interactions are gaining importance in controlling the photoswitching behavior of molecules exhibiting bistability. Here, we used the strategy of electronic strong coupling of both the E and Z-isomers of azopyrrole…

In this work, we study the quantum dynamics of a photoisomerization reaction employing a two-electronic-state three-vibrational-mode model of the 2-cis-penta-2,4-dieniminium cation (cis-PSB3). In particular, we address two main issues: the…

This paper explores different photo-bending shapes in polydomain nematic glass. The motivation is to explain the phenomenon in experiment [1] under polarized light in which a nematic film curls into an circular arc, like part of a…

Polymer blends offer an exciting material for various potential applications due to their tunable properties by varying constituting components and their relative composition. Our simulation results unravel an intrinsic relationship between…

The photo-induced metal-insulator transition is studied by the numerical simulation of real-time quantum dynamics of a double-exchange model. The spatial and temporal evolutions of the system during the transition have been revealed…

In the cell, protein complexes form relying on specific interactions between their monomers. Excluded volume effects due to molecular crowding would lead to correlations between molecules even without specific interactions. What is the…

Molecular photoswitches are the foundation of light-activated drugs. A key photoswitch is azobenzene, which exhibits trans-cis isomerism in response to light. The thermal half-life of the cis isomer is of crucial importance, since it…