skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures

Abstract

This report describes research by George Schatz and Mark Ratner that was done over the period 10/03-5/09 at Northwestern University. This research project was part of a larger research project with the same title led by Stephen Gray at Argonne. A significant amount of our work involved collaborations with Gray, and there were many joint publications as summarized later. In addition, a lot of this work involved collaborations with experimental groups at Northwestern, Argonne, and elsewhere. The research was primarily concerned with developing theory and computational methods that can be used to describe the interaction of light with noble metal nanoparticles (especially silver) that are capable of plasmon excitation. Classical electrodynamics provides a powerful approach for performing these studies, so much of this research project involved the development of methods for solving Maxwell’s equations, including both linear and nonlinear effects, and examining a wide range of nanostructures, including particles, particle arrays, metal films, films with holes, and combinations of metal nanostructures with polymers and other dielectrics. In addition, our work broke new ground in the development of quantum mechanical methods to describe plasmonic effects based on the use of time dependent density functional theory, and we developed new theory concernedmore » with the coupling of plasmons to electrical transport in molecular wire structures. Applications of our technology were aimed at the development of plasmonic devices as components of optoelectronic circuits, plasmons for spectroscopy applications, and plasmons for energy-related applications.« less

Authors:
 [1];  [1]
  1. Northwestern Univ., Evanston, IL (United States)
Publication Date:
Research Org.:
Northwestern Univ., Evanston, IL (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1121443
Report Number(s):
DOE-NU-ER15487
DOE Contract Number:
FG02-03ER15487
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Schatz, George, and Ratner, Mark. Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures. United States: N. p., 2014. Web. doi:10.2172/1121443.
Schatz, George, & Ratner, Mark. Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures. United States. doi:10.2172/1121443.
Schatz, George, and Ratner, Mark. 2014. "Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures". United States. doi:10.2172/1121443. https://www.osti.gov/servlets/purl/1121443.
@article{osti_1121443,
title = {Computational Nanophotonics: modeling optical interactions and transport in tailored nanosystem architectures},
author = {Schatz, George and Ratner, Mark},
abstractNote = {This report describes research by George Schatz and Mark Ratner that was done over the period 10/03-5/09 at Northwestern University. This research project was part of a larger research project with the same title led by Stephen Gray at Argonne. A significant amount of our work involved collaborations with Gray, and there were many joint publications as summarized later. In addition, a lot of this work involved collaborations with experimental groups at Northwestern, Argonne, and elsewhere. The research was primarily concerned with developing theory and computational methods that can be used to describe the interaction of light with noble metal nanoparticles (especially silver) that are capable of plasmon excitation. Classical electrodynamics provides a powerful approach for performing these studies, so much of this research project involved the development of methods for solving Maxwell’s equations, including both linear and nonlinear effects, and examining a wide range of nanostructures, including particles, particle arrays, metal films, films with holes, and combinations of metal nanostructures with polymers and other dielectrics. In addition, our work broke new ground in the development of quantum mechanical methods to describe plasmonic effects based on the use of time dependent density functional theory, and we developed new theory concerned with the coupling of plasmons to electrical transport in molecular wire structures. Applications of our technology were aimed at the development of plasmonic devices as components of optoelectronic circuits, plasmons for spectroscopy applications, and plasmons for energy-related applications.},
doi = {10.2172/1121443},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2014,
month = 2
}

Technical Report:

Save / Share:
  • The program is directed toward development of new computational approaches to photoprocesses in nanostructures whose geometry and composition are tailored to obtain desirable optical responses. The emphasis of this specific program is on the development of computational methods and prediction and computational theory of new phenomena of optical energy transfer and transformation on the extreme nanoscale (down to a few nanometers).
  • The goal of the Center for Integrated Nanotechnologies (CINT) is to plays a leadership role in integration of nanostructured materials to enable novel capabilities and applications through its function as a Department of Energy/Office of Science Nanoscale Science Research Center (NSRC) national user facility. By coupling open access to unique and world-class capabilities and scientific expertise to an active user community, CINT supports high-impact research that no other single institution could achieve – the whole of CINT including its user community is greater than the sum of its parts.
  • The over-reaching goal of the Groundwater Grand Challenge component of the Partnership in Computational Science (PICS) was to develop and establish the massively parallel approach for the description of groundwater flow and transport and to address the problem of uncertainties in the data and its interpretation. This necessitated the development of innovative algorithms and the implementation of massively parallel computational tools to provide a suite of simulators for groundwater flow and transport in heterogeneous media. This report summarizes the activities and deliverables of the University of South Carolina component of the Groundwater Grand Challenge project funded through the High Performancemore » Computing grand challenge program of the Department of Energy from 1995 through 1997. Seven institutions were primarily involved in this project: Brookhaven National Laboratory, Oak Ridge National Laboratory, Princeton University, SUNY at Stony Brook, Texas A&M University, The University of South Carolina, and the University of Texas at Austin, with contributing efforts from the Westinghouse Savannah River Technology Center. Each institution had primary responsibility for specific research components, but strong collaboration among all institutions was essential for the success of the project and in producing the final deliverables. PICS deliverables include source code for the suite of research simulators and auxiliary HPC tools, associated documentation, and test problems. These materials will be available as indicated from each institution's web page or from the Center for Computational Sciences Oak Ridge National Laboratory in January 1998.« less
  • The over-reaching goal of the Groundwater Grand Challenge component of the Partnership in Computational Science (PICS) was to develop and establish the massively parallel approach for the description of groundwater flow and transport and to address the problem of uncertainties in the data and its interpretation. This necessitated the development of innovative algorithms and the implementation of massively parallel computational tools to provide a suite of simulators for groundwater flow and transport in heterogeneous media. This report summarizes the activities and deliverables of the Princeton University component of the Groundwater Grand Challenge project funded through the High Performance Computing grandmore » challenge program of the Department of Energy from 1995 through 1998. Seven institutions were primarily involved in this project: Brookhaven National Laboratory, Oak Ridge National Laboratory, Princeton University, SUNY at Stony Brook, Texas A&M University, The University of South Carolina, and the University of Texas at Austin, with contributing efforts from the Westinghouse Savannah River Technology Center. Each institution had primary responsibility for specific research components, but strong collaboration among all institutions was essential for the success of the project and in producing the final deliverables. PICS deliverables include source code for the suite of research simulators and auxiliary HPC tools, associated documentation, and test problems. These materials will be available as indicated from each institution's web page or from the Center for Computational Sciences Oak Ridge National Laboratory in January 1998.« less
  • The over-reaching goal of the Groundwater Grand Challenge component of the Partnership in Computational Science (PICS) was to develop and establish the massively parallel approach for the description of groundwater flow and transport and to address the problem of uncertainties in the data and its interpretation. This necessitated the development of innovative algorithms and the implementation of massively parallel computational tools to provide a suite of simulators for groundwater flow and transport in heterogeneous media. Seven institutions were primarily involved in this project: Brookhaven National Laboratory, Oak Ridge National Laboratory, Princeton University, SUNY at Stony Brook, Texas A and Mmore » University, The University of South Carolina, and the University of Texas at Austin, with contributing efforts from the Westinghouse Savannah River Technology Center. Each institution had primary responsibility for specific research components, but strong collaboration among all institutions was essential for the success of the project and in producing the final deliverables. PICS deliverables include source code for the suite of research simulators and auxiliary HPC tools, associated documentation, and test problems. These materials will be available as indicated from each institution`s web page or from the Center for Computational Sciences Oak Ridge National Laboratory in January 1998.« less