Lattice-ordered Permutation Groups: The Structure Theory

Author(s):  
Stephen H. McCleary
1999 ◽  
Vol 197-198 (1-3) ◽  
pp. 247-267 ◽  
Author(s):  
S Evdokimov

1997 ◽  
Vol 42 (3) ◽  
pp. 265-265
Author(s):  
Jennifer Rothfleisch ◽  
Joy Schmitz

2017 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Chong Cheng ◽  
Johannes Hachmann

Organic materials with a high index of refraction (RI) are attracting considerable interest due to their potential application in optic and optoelectronic devices. However, most of these applications require an RI value of 1.7 or larger, while typical carbon-based polymers only exhibit values in the range of 1.3–1.5. This paper introduces an efficient computational protocol for the accurate prediction of RI values in polymers to facilitate in silico studies that an guide the discovery and design of next-generation high-RI materials. Our protocol is based on the Lorentz-Lorenz equation and is parametrized by the polarizability and number density values of a given candidate compound. In the proposed scheme, we compute the former using first-principles electronic structure theory and the latter using an approximation based on van der Waals volumes. The critical parameter in the number density approximation is the packing fraction of the bulk polymer, for which we have devised a machine learning model. We demonstrate the performance of the proposed RI protocol by testing its predictions against the experimentally known RI values of 112 optical polymers. Our approach to combine first-principles and data modeling emerges as both a successful and highly economical path to determining the RI values for a wide range of organic polymers.


2020 ◽  
Vol 21 (2) ◽  
pp. 187-194
Author(s):  
А. A. Kuznetsov ◽  
◽  
V. V. Kishkan ◽  

2011 ◽  
Author(s):  
Tsung-Kang Chen ◽  
Mao-Wei Hung ◽  
Hsien-Hsing Liao ◽  
Ju-Fang Yen

Sign in / Sign up

Export Citation Format

Share Document