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Prediction of Transport Properties of Nanosystems and Their Use for Virtual Fabrication of Nanomaterials

Published online by Cambridge University Press:  01 February 2011

Liudmila A. Pozhar
Liudmila A. Pozhar*
Affiliation:
Air Force Research Laboratory, Materials and Manufacturing Directorate, Sensor Materials Branch and Polymer Materials Branch (AFRL/MLBP), 2941 P Street, Wright-Patterson Air Force Base, OH 45433, U.S.A.
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Abstract

Fundamental statistical-mechanical expressions for transport coefficients describing transport processes in spatially inhomogeneous systems (such as nanofluids, interfacial systems, atomic clusters, etc.) and derived by the use of the functional perturbation theory (FTP) due to Pozhar and Gubbins (PG) are simplified for the use in engineering and technology. Together with explicit expressions for the charge transport properties of quantum inhomogeneous systems (such as semiconductor quantum dots, wells and wires, artificial atoms/molecules etc.) derived recently, these expressions form a basis for development of algorithms and codes to realize a virtual (i.e., fundamental theory-based, computational) synthesis of nanomaterials with predesigned transport properties for novel nanocluster- or nanopore- based catalysts and adsorbents, integrated nanocircuits, nanoheterostructures, etc.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 790: Symposium P – Dynamics in Small Confining Systems–2003 , 2003 , P5.8
Copyright
Copyright © Materials Research Society 2004

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References

REFERENCES

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