Photoinduced Mass Transport in Azo-Polymers in 2D: Monte Carlo Study of Polarization Effects

Pawlik, Grzegorz; Mituś, Antoni C.

doi:10.3390/ma13214724

Cited by 6 publications

(10 citation statements)

References 60 publications

(106 reference statements)

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“…This missing information is essential for a deeper understanding of this process, as well as for its theoretical modeling. To gain some intuition concerning this topic, the MC dynamics of centers of mass of chains, represented by squared displacement

( Section 2.4.3 ) was studied in 2D [ 164 ] and 3D [ 163 ] systems. It is well-known that the dynamics of a polymer chains varies with the time interval [ 4 ].…”

Section: Resultsmentioning

confidence: 99%

“…Two limiting models of single-chain light-driven dynamics were studied in Ref. [ 164 ]: polarization-independent (PI) model and full-polarization model (FP model), see Section 2.3.4 . The BFM chain and the attached azo-dye molecules lie in

plane while the light, linearly polarized in the same plane, propagates along z direction.…”

Section: Resultsmentioning

confidence: 99%

“…The counterpart of the Full Polarization Model (FP model), Equation ( 25 ), is the Polarization Independent Model (PI model) which is insensitive to polarization—the transition probability

is constant and independent on the orientation of an azo-dye. Both models were recently studied in 2D case [ 164 ]:

…”

Section: Methodsmentioning

confidence: 99%

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Modeling of Nonlinear Optical Phenomena in Host-Guest Systems Using Bond Fluctuation Monte Carlo Model: A Review

et al. 2021

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We review the results of Monte Carlo studies of chosen nonlinear optical effects in host-guest systems, using methods based on the bond-fluctuation model (BFM) for a polymer matrix. In particular, we simulate the inscription of various types of diffraction gratings in degenerate two wave mixing (DTWM) experiments (surface relief gratings (SRG), gratings in polymers doped with azo-dye molecules and gratings in biopolymers), poling effects (electric field poling of dipolar molecules and all-optical poling) and photomechanical effect. All these processes are characterized in terms of parameters measured in experiments, such as diffraction efficiency, nonlinear susceptibilities, density profiles or loading parameters. Local free volume in the BFM matrix, characterized by probabilistic distributions and correlation functions, displays a complex mosaic-like structure of scale-free clusters, which are thought to be responsible for heterogeneous dynamics of nonlinear optical processes. The photoinduced dynamics of single azopolymer chains, studied in two and three dimensions, displays complex sub-diffusive, diffusive and super-diffusive dynamical regimes. A directly related mathematical model of SRG inscription, based on the continuous time random walk (CTRW) formalism, is formulated and studied. Theoretical part of the review is devoted to the justification of the a priori assumptions made in the BFM modeling of photoinduced motion of the azo-polymer chains.

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( Section 2.4.3 ) was studied in 2D [ 164 ] and 3D [ 163 ] systems. It is well-known that the dynamics of a polymer chains varies with the time interval [ 4 ].…”

Section: Resultsmentioning

confidence: 99%

plane while the light, linearly polarized in the same plane, propagates along z direction.…”

Section: Resultsmentioning

confidence: 99%

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Modeling of Nonlinear Optical Phenomena in Host-Guest Systems Using Bond Fluctuation Monte Carlo Model: A Review

et al. 2021

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“…A large number of articles track the computational characterization of these photocontrolled materials due to their prospective applications in different fields such as liquid crystals [ 29 , 30 , 31 ], optical data storage [ 32 ], photosensitive micelles [ 33 ], triggers in protein folding [ 34 ], and so on. Due to the complexity of the molecular migration phenomenon that induces the SRG formation process, the number of molecular studies is significantly lower [ 35 , 36 , 37 ].…”

Section: Introductionmentioning

confidence: 99%

Evaluation of Local Mechanical and Chemical Properties via AFM as a Tool for Understanding the Formation Mechanism of Pulsed UV Laser-Nanoinduced Patterns on Azo-Naphthalene-Based Polyimide Films

Stoica¹,

Epure

Constantin³

et al. 2021

Nanomaterials

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Aromatic polyimides containing side azo-naphthalene groups have been investigated regarding their capacity of generating surface relief gratings (SRGs) under pulsed UV laser irradiation through phase masks, using different fluencies and pulse numbers. The process of the material photo-fluidization and the supramolecular re-organization of the surface were investigated using atomic force microscopy (AFM). At first, an AFM nanoscale topographical analysis of the induced SRGs was performed in terms of morphology and tridimensional amplitude, spatial, hybrid, and functional parameters. Afterward, a nanomechanical characterization of SRGs using an advanced method, namely, AFM PinPoint mode, was performed, where the quantitative nanomechanical properties (i.e., modulus, adhesion, deformation) of the nanostructured azo-polyimide surfaces were acquired with a highly correlated topographic registration. This method proved to be very effective in understanding the formation mechanism of the surface modulations during pulsed UV laser irradiation. Additionally to AFM investigations, confocal Raman measurements and molecular simulations were performed to provide information about structured azo-polyimide chemical composition and macromolecular conformation induced by laser irradiation.

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“…Complex dynamics was reported in recent BFM modeling of all-optical poling [ 79 ], Surface Relief Grating inscription [ 80 , 81 ], and dynamics of model polymer chains functionalized with azo-dye molecules in two [ 82 ] and three [ 80 ] dimensions. It was tentatively ascribed to the physical picture presented above, in which the broad spectrum of temporal scales characterizing the times of life of clusters of blocked and free cells determines an overall dynamics of host-guest systems.…”

Section: Introductionmentioning

confidence: 99%

Characterization of Monte Carlo Dynamic/Kinetic Properties of Local Structure in Bond Fluctuation Model of Polymer System

2021

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We report the results of the characterization of local Monte Carlo (MC) dynamics of an equilibrium bond fluctuation model polymer matrix (BFM), in time interval typical for MC simulations of non-linear optical phenomena in host-guest systems. The study contributes to the physical picture of the dynamical aspects of quasi-binary mosaic states characterized previously in the static regime. The polymer dynamics was studied at three temperatures (below, above and close to the glass transition), using time-dependent generalization of the static parameters which characterize local free volume and local mobility of the matrix. Those parameters play the central role in the kinetic MC model of host-guest systems. The analysis was done in terms of the probability distributions of instantaneous and time-averaged local parameters. The main result is the characterization of time scales characteristic of various local structural processes. Slowing down effects close to the glass transition are clearly marked. The approach yields an elegant geometric criterion for the glass transition temperature. A simplified quantitative physical picture of the dynamics of guest molecules dispersed in BFM matrix at low temperatures offers a starting point for stochastic modeling of host-guest systems.

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Photoinduced Mass Transport in Azo-Polymers in 2D: Monte Carlo Study of Polarization Effects

Cited by 6 publications

References 60 publications

Modeling of Nonlinear Optical Phenomena in Host-Guest Systems Using Bond Fluctuation Monte Carlo Model: A Review

Modeling of Nonlinear Optical Phenomena in Host-Guest Systems Using Bond Fluctuation Monte Carlo Model: A Review

Evaluation of Local Mechanical and Chemical Properties via AFM as a Tool for Understanding the Formation Mechanism of Pulsed UV Laser-Nanoinduced Patterns on Azo-Naphthalene-Based Polyimide Films

Characterization of Monte Carlo Dynamic/Kinetic Properties of Local Structure in Bond Fluctuation Model of Polymer System

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