Unimolecular Dissociation of C6H6–C6Cl6 Complex and Effect of Mode–Mode Coupling

2021 ◽  
Author(s):  
Himashree Mahanta ◽  
Amit K. Paul
Keyword(s):  
Mode Coupling ◽  
Unimolecular Dissociation

Glass transition for dipolar hard spheres: a mode-coupling approach

1998 ◽  
Vol 77 (2) ◽  
pp. 305-311 ◽  
Author(s):  
Thomas Scheidsteger, Rolf Schilling
Keyword(s):  
Glass Transition ◽  
Mode Coupling ◽  
Hard Spheres ◽  
Coupling Approach

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

2019 ◽  
Author(s):  
Riccardo Spezia ◽  
Hichem Dammak
Keyword(s):  
Degrees Of Freedom ◽  
Molecular Simulations ◽  
Zero Point ◽  
Thermal Bath ◽  
Unimolecular Dissociation ◽  
Point Energy ◽  
Rotational Degrees Of Freedom ◽  
The Difference ◽  
Nuclear Effects

<div> <div> <div> <p>In the present work we have investigated the possibility of using the Quantum Thermal Bath (QTB) method in molecular simulations of unimolecular dissociation processes. Notably, QTB is aimed in introducing quantum nuclear effects with a com- putational time which is basically the same as in newtonian simulations. At this end we have considered the model fragmentation of CH4 for which an analytical function is present in the literature. Moreover, based on the same model a microcanonical algorithm which monitor zero-point energy of products, and eventually modifies tra- jectories, was recently proposed. We have thus compared classical and quantum rate constant with these different models. QTB seems to correctly reproduce some quantum features, in particular the difference between classical and quantum activation energies, making it a promising method to study unimolecular fragmentation of much complex systems with molecular simulations. The role of QTB thermostat on rotational degrees of freedom is also analyzed and discussed. </p> </div> </div> </div>

Observation of mode coupling in GaAs lasers

1967 ◽  
Vol 18 (4) ◽  
pp. 599-601 ◽  
Author(s):  
Ch. Deutsch ◽  
J. Hatz
Keyword(s):  
Mode Coupling

Comparative crosstalk performance analysis of different configurations of heterogeneous multicore fiber

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Umar Farooque ◽  
Rakesh Ranjan
Keyword(s):  
Refractive Index ◽  
Mode Coupling ◽  
The Other ◽  
Heterogeneous Multicore ◽  
Coupled Mode ◽  
The Core ◽  
Bending Radius ◽  
Multicore Fiber ◽  
The Impact ◽  
Core Pitch

AbstractIn order to select the heterogeneous multicore fiber (MCF) configuration with ultra-low crosstalk and low peak bending radius, comparative crosstalk analysis have been done for the three possible core configurations, namely, Configuration 1 - different refractive index (R.I.) and different radius, Configuration 2 - different R.I., and Configuration 3 - different radius. Using the coupled mode equation and the simplified expressions of mode coupling coefficient (MCC) for different configurations of heterogeneous cores, the crosstalk performance of all the heterogeneous MCF configurations along with the homogeneous MCF have been investigated analytically with respect to core pitch (D) and fiber bending radius (${R}_{b}$). Further, these expressions of MCC have been extended to obtain the simplified expressions of MCC for the estimation of crosstalk levels in respective trench-assisted (TA) heterogeneous MCF configurations. It is observed from the analysis that in Configuration 1, crosstalk level is lowest and the rate of decrease in the crosstalk with respect to the core pitch is highest compared to the other configurations of heterogeneous MCF. The values of crosstalk obtained analytically have been validated by comparing it with the values obtained from finite element method (FEM) based numerical simulation results. Further, we have investigated the impact of a fixed percent change (5%) in the core parameters (radius and/or R.I.) of one of the core of a homogeneous MCF, to realize the different heterogeneous MCF configurations, on the variations in crosstalk levels, difference in the mode effective refractive index of the core 1 and core 2 ($\Delta {n}_{eff}={n}_{eff1}-{n}_{eff2}$), and the peak bending radius (${R}_{pk}$). For the same percent variations (5%) in the core parameters (radius and/or R.I.) of different configurations of cores (Config. 1-Config. 3), Config. 1 MCF has highest variation in $\Delta {n}_{eff}$ value compared to other configurations of MCF. Further, this highest variation in $\Delta {n}_{eff}$ value of Config. 1 MCF results in smallest peak bending radius. The smaller value of peak bending radius allows MCF to bend into smaller radius. Therefore, Configuration 1 is the potential choice for the design of MCF with smaller peak bending radius and ultra-low crosstalk level compared to the other configurations of SI-heterogeneous MCF.

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