Monte Carlo Statistical Mechanical Simulations of the Competition of Intermolecular Electrostatic and Poling-Field Interactions in Defining Macroscopic Electro-Optic Activity for Organic Chromophore/Polymer Materials†

2000 ◽  
Vol 104 (20) ◽  
pp. 4785-4795 ◽  
Author(s):  
B. H. Robinson ◽  
L. R. Dalton
Keyword(s):  
Monte Carlo ◽  
Polymer Materials ◽  
Poling Field ◽  
Electro Optic ◽  
Statistical Mechanical ◽  
Organic Chromophore

Realization of Polymeric Electro-Optic Modulators with Less Than One Volt Drive Voltage Requirement

1999 ◽  
Vol 598 ◽  
Author(s):  
Cheng Zhang ◽  
Michael Lee ◽  
Adam Winklemann ◽  
Heidi Northcroft ◽  
Christopher Lindsey ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Field Strength ◽  
Electrostatic Interactions ◽  
Theoretical Calculations ◽  
Polymer Materials ◽  
Poling Field ◽  
New Paradigm ◽  
Electro Optic ◽  
Synthetic Approaches ◽  
Theoretical Results

ABSTRACTThe roles played by spatially anisotropic intermolecular electrostatic interactions, chromophore shape, host dielectric constant, and poling field strength in defining maximum achievable electro-optic activity for electrically poled chromophore/polymer materials are investigated by equilibrium and Monte-Carlo quantum statistical mechanical calculations. Even simple Hamiltonians reproduce critical qualitative features such as the existence of a maximum in plots of electro-optic activity versus chromophore number density in a polymer matrix. Comparison of theoretical results for various methods provides a useful check on the validity of approximations employed with individual methods. The most significant conclusion to derive from a comparison of experimental and theoretical results is the dependence of maximum achievable electro-optic activity upon chromophore shape. Theoretical calculations suggest a new paradigm for the design of optimum electro-optic chromophores; realization of the desired shapes may be facilitated by dendritic synthetic approaches. In the presence of intermolecular electrostatic interactions, the dependence of electro-optic activity upon material dielectric permittivity and electric poling field strength is more complex than in the absence of such interactions. Of particularly, interest are conditions that lead to second order phase transitions to lattices containing centrically (antiferroelectricallly) ordered chromophore domains. Such phase transitions can lead to further complications in the attempted preparation of device quality materials but can be effectively avoided by utilization of theoretically derived phase diagrams.

Electro-optic polymer materials and devices: fundamental limits

1993 ◽  
Author(s):  
Richard S. Lytel ◽  
George F. Lipscomb ◽  
Anthony J. Ticknor
Keyword(s):  
Polymer Materials ◽  
Fundamental Limits ◽  
Electro Optic

Macroscopic Order and Electro-Optic Response of Dipolar Chromophore-Polymer Materials

ChemPhysChem ◽  
2004 ◽  
Vol 5 (12) ◽  
pp. 1821-1830 ◽  
Author(s):  
Yuriy V. Pereverzev ◽  
Oleg V. Prezhdo ◽  
Larry R. Dalton
Keyword(s):  
Polymer Materials ◽  
Electro Optic

Multi-Functional Device Applications of Nonlinear Optical Polymer Materials.

1989 ◽  
Vol 175 ◽  
Author(s):  
R. Lytel ◽  
G.F. Lipscomb
Keyword(s):  
Nonlinear Optical ◽  
Polymer Materials ◽  
Functional Roles ◽  
Optical Polymer ◽  
Field Operation ◽  
Electro Optic ◽  
Recent Developments ◽  
Device Applications ◽  
Nonlinear Optical Polymer ◽  
Practical Field

AbstractRecent developments in the application of electro-optic polymer materials to perform multi-functional roles in integrated optic device applications are summarized and future requirements for practical field operation are discussed.

An Experimental Validation of a 3D Kinetic, Monte Carlo Model for Microstructural Evolution during Sintering

2006 ◽  
Vol 45 ◽  
pp. 522-529 ◽  
Author(s):  
Veena Tikare ◽  
Michael V. Braginsky ◽  
Didier Bouvard ◽  
Alexander Vagnon
Keyword(s):  
Monte Carlo ◽  
Microstructural Evolution ◽  
Copper Powder ◽  
Experimental Validation ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Statistical Mechanical Model ◽  
Powder Particles ◽  
Statistical Mechanical ◽  
Curvature Driven

An experimental validation of a 3D kinetic, Monte Carlo model for simulation of microstructural evolution during solid state sintering will be presented. The model – a statistical mechanical model, which can simulate curvature-driven grain growth, pore migration, and vacancy formation, diffusion and annihilation – is validated by comparing microstructural evolution obtained experimentally for a copper powder compact. The 3D microstructural evolution of copper powder particles sintering was imaged in-situ by microtomography. The images show particles with internal porosity percolating through the particles. Microstructural features – e.g., neck formation and growth – from the experimental images as well as the overall densification rates are compared to the simulations.

Third-order nonlinearity contribution to electro-optic activity in polymer materials in a constant bias field

2006 ◽  
Vol 88 (4) ◽  
pp. 041115 ◽  
Author(s):  
Nishant Prakash Bhatambrekar ◽  
Larry Dalton ◽  
Jingdong Luo ◽  
Alex K.-Y. Jen ◽  
Antao Chen
Keyword(s):  
Bias Field ◽  
Polymer Materials ◽  
Third Order ◽  
Constant Bias ◽  
Electro Optic ◽  
Third Order Nonlinearity
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