Computational Materials Theory: Optimizing the Use of the Electromagnetic Spectrum

Abstract

The ability to computationally predict how materials respond to incident radiation is of immeasurable importance to practically every DoD and civilian technology. While applications are too numerous to list, they include spectroscopic remote sensing, infrared night vision technologies, X-ray analysis, magneto-resonance imaging, photovoltaic light harvesting, information transmission and storage, and quantum control of molecules. In principle, the ability to theoretically predict how molecules and materials respond to incident radiation has been in hand since the early days of quantum theory of materials. While more improvements are required and are on their way, today, due to long-term support of the Office of Naval Research and significant contributions from Navy researchers, scientists are able to computationally predict how materials interact with X rays, optical radiation, infrared and terahertz radiation, and extremely low frequency radiation such as that due to microwaves and static fields. Work discussed here pertains to the computational prediction of a material's ability to respond to radiation in the latter four frequency ranges.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 2007
Accession Number
ADA518224

Entities

People

  • L. L. Boyer
  • M. R. Pederson
  • Michael J. Mehl

Organizations

  • United States Naval Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption Spectra
  • Bulk Materials
  • Chemistry
  • Density Functional Theory
  • Electromagnetic Radiation
  • Electromagnetic Spectra
  • Energy
  • Energy Transfer
  • Frequency
  • High Performance Computing
  • Materials
  • Materials Science
  • Military Research
  • Radiation
  • Spectra
  • Terahertz Radiation
  • X Rays

Fields of Study

  • Physics

Readers

  • Distributed Systems and Data Platform Development
  • Electromagnetic Wave Scattering and Antenna Radiation Engineering
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Quantum Computing