Calculation of higher order dispersion coefficients in photonic crystal fibers

2011 ◽  
Author(s):  
A. Martínez-Rios ◽  
Boaz Ilan ◽  
I. Torres-Gómez ◽  
D. Monzon-Hernandez ◽  
D. E. Ceballos-Herrera
Keyword(s):  
Photonic Crystal ◽  
Photonic Crystal Fibers ◽  
Higher Order ◽  
Dispersion Coefficients ◽  
Crystal Fibers ◽  
Higher Order Dispersion ◽  
Order Dispersion

Higher-order mode suppression in twisted single-ring hollow-core photonic crystal fibers

2017 ◽  
Vol 42 (11) ◽  
pp. 2074 ◽  
Author(s):  
N. N. Edavalath ◽  
M. C. Günendi ◽  
R. Beravat ◽  
G. K. L. Wong ◽  
M. H. Frosz ◽  
...  
Keyword(s):  
Photonic Crystal ◽  
Photonic Crystal Fibers ◽  
Higher Order ◽  
Hollow Core ◽  
Order Mode ◽  
Mode Suppression ◽  
Single Ring ◽  
Crystal Fibers ◽  
Higher Order Mode

scholarly journals Supercontinuum generation based on fission of higher-order solitons in bi-refringent photonic crystal fibers

2009 ◽  
Vol 58 (8) ◽  
pp. 5462
Author(s):  
Ji Ling-Ling ◽  
Chen Wei ◽  
Cao Ying-Chun ◽  
Yang Zhen-Yu ◽  
Lu Pei-Xiang
Keyword(s):  
Photonic Crystal ◽  
Photonic Crystal Fibers ◽  
Supercontinuum Generation ◽  
Higher Order ◽  
Crystal Fibers

Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model

2018 ◽  
Author(s):  
Evan T. Walters ◽  
Mohamad Mohebifar ◽  
Erin R. Johnson ◽  
Christopher Rowley
Keyword(s):  
Dipole Moment ◽  
Force Fields ◽  
Higher Order ◽  
Side Chain ◽  
Dispersion Interactions ◽  
Dispersion Coefficients ◽  
Hydration Energies ◽  
London Dispersion ◽  
Higher Order Dispersion ◽  
Order Dispersion

<div>London dispersion is one of the fundamental intermolecular interactions involved in protein folding and dynamics. The popular CHARMM36, Amber ff14sb, and OPLS-</div><div>AA force fields represent these interactions through the C6 /r 6 term of the Lennard-Jones potential. The C6 parameters are assigned empirically, so these parameters are</div><div>not necessarily a realistic representation of the true dispersion interactions. In this work, dispersion coefficients of all three force fields were compared to corresponding</div><div>values from quantum-chemical calculations using the exchange-hole dipole moment (XDM) model. The force field values were found to be roughly 50% larger than the XDM values for protein backbone and side-chain models. The CHARMM36 and Amber OL15 force fields for nucleic acids were also found to exhibit this trend. To explore how these elevated dispersion coefficients affect predicted properties, the hydration energies of the side-chain models were calculated using the staged REMD-TI method of Deng and Roux for the CHARMM36, Amber ff14sb, and OPLS-AA force fields. Despite having large C 6 dispersion coefficients, these force fields predict side-chain hydration energies that are in generally good agreement with the experimental values, including for hydrocarbon residues where the dispersion component is the dominant attractive solute–solvent interaction. This suggests that these force fields predict the correct total strength of dispersion interactions, despite C6 coefficients that are considerably larger than XDM predicts. An analytical expression for the water–methane dispersion energy using XDM dispersion coefficients shows that that higher-order dispersion terms(i.e., C 8 and C 10 ) account for roughly 37.5% of the hydration energy of methane. This suggests that the C 6 dispersion coefficients used in contemporary force fields are</div><div>elevated to account for the neglected higher-order terms. Force fields that include higher-order dispersion interactions could resolve this issue.</div>

scholarly journals The effect of higher-order dispersion on slow light propagation in photonic crystal waveguides

2006 ◽  
Vol 14 (4) ◽  
pp. 1658 ◽  
Author(s):  
R.J.P. Engelen ◽  
Y. Sugimoto ◽  
Y. Watanabe ◽  
J.P. Korterik ◽  
N. Ikeda ◽  
...  
Keyword(s):  
Photonic Crystal ◽  
Light Propagation ◽  
Slow Light ◽  
Higher Order ◽  
Photonic Crystal Waveguides ◽  
Higher Order Dispersion ◽  
Order Dispersion
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