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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

1. See, for example, Pozhar, L.A., Transport Theory of Inhomogeneous Fluids, World Scientific, New Jersey, 1994;Google Scholar
Pozhar, L.A. and Gubbins, K.E., Phys. Rev. E56, 5367 (1997);Google Scholar
Pozhar, L.A. and Gubbins, K.E., J. Chem. Phys. 99, 8970 (1993).Google Scholar
Pozhar, L.A. and Gubbins, K.E., J. Chem. Phys. 94, 1367 (1991);Google Scholar
Pozhar, L.A., Ukain. Phys. J. 34, 779 (1989), etc.Google Scholar
2. Pozhar, L.A., Phys. Rev. E61, 1432 (2000);Google Scholar
Pozhar, L.A., de Almeida, V.F., and Hu, M.Z.-C., Ceramic Transactions, 137, 101 (2003);Google Scholar
Pozhar, L.A., Kontar, E.V., and Hu, M. Z.-C., J. Nanosci. Nanotech. 2, 209 (2002);Google Scholar
MacElroy, J.M.D., Pozhar, L.A. and Suh, S.-H., Colloids and Surfaces A187–A188, 493 (2001).Google Scholar
3. Pozhar, L.A., Proc.2003 Ann. AIChE Meeting (in press);Google Scholar
Pozhar, L.A. (paper in preparation).Google Scholar
4. See Zubarev, D.N. and Tserkovnikov, Yu.A., Proceedings of the Steklov Institute of Mathematics 175, 139 (1986);Google Scholar
Zubarev, D.N., Soviet Phys. Uspekhi 3, 71 (1960/61);Google Scholar
Kadanoff, L.P. and Baym, G., Quantum Statistical Mechanics, Benjamin, NY, 1962, etc.Google Scholar
5. See, for example, Pozhar, L.A., Yeates, A.T. and Szmulovicz, F., Pozhar, L.A., Proc. 2003 Ann. AIChE Meeting (in press);Google Scholar
Troparevsky, M.C. and Chelikowsky, J.R., J. Chem. Phys. 114, 943 (2001), etc.Google Scholar