Computation of electrical conductivity and thermoelectric power in strong-scattering disordered metals

1984 ◽  
Vol 62 (7) ◽  
pp. 692-700 ◽  
Author(s):  
L. E. Ballentine ◽  
J. E. Hammerberg
Keyword(s):  
Thermoelectric Power ◽  
Electronic Transport ◽  
Numerical Evaluation ◽  
Transport Coefficients ◽  
Finite Size ◽  
Kubo Formula ◽  
Shape Effects ◽  
Computational Aspects ◽  
Disordered Metals ◽  
Strong Scattering

We describe a method of computing electronic transport coefficients in liquid and amorphous metals by numerical evaluation of the Kubo formula for a cluster of a few hundred atoms. s and d states are treated equally, and no assumptions need be made about the number of carriers per atom. Finite size and shape effects, and other computational aspects, are examined. The method is applied to liquid La. The calculated (measured) values are 151 μΩ∙cm (135 μΩ∙cm) for the resistivity, and −7 ± 1 μV/K (−7.5 μV/K) for the thermoelectric power. The relative contributions of s and d states to electronic transport are computed, and we find the d states to be dominant.

Thermoelectric power factor enhancement in metal/semiconductor nanocomposites by ionized nanoparticle scattering

2011 ◽  
Vol 1329 ◽  
Author(s):  
Je-Hyeong Bahk ◽  
Zhixi Bian ◽  
Mona Zebarjadi ◽  
Parthi Santhanam ◽  
Rajeev Ram ◽  
...  
Keyword(s):  
Thermoelectric Power ◽  
Power Factor ◽  
Coulomb Potential ◽  
Metallic Nanoparticles ◽  
Transport Coefficients ◽  
Finite Size ◽  
Boltzmann Transport ◽  
Thermoelectric Power Factor ◽  
The Matrix ◽  
Semiconductor Nanocomposites

ABSTRACTWe present a theoretical investigation of the thermoelectric power factor enhancement in metal/semiconductor nanocomposites by the energy dependent electron scattering from ionized nanoparticles. The metal nanoparticles embedded in semiconductors can be ionized to donate electrons to the matrix, which will result in a Coulomb potential tail around the nanoparticles. Here we show the significant effect of slowly varying potential tails on thermoelectric properties of the nanocomposites. The Coulomb potential is different from that of the conventional ionized impurities due to the finite size of the ionized particles, and the fact that the nanoparticles can give multiple electrons to the matrix. Detailed calculations for scattering rates and thermoelectric coefficients are presented for ErAs semi-metallic nanoparticles in InGaAs semiconductors. The partial wave method is used to consider the exact potential profile around nanoparticles and Boltzmann transport equation is used to calculate the transport coefficients. We find that an increase by 15~30% in power factor can be achieved over a wide temperature range in these material systems in addition to the thermal conductivity reduction to further enhance ZT.

Vortex configurations in mesoscopic superconducting triangles: Finite-size and shape effects

2008 ◽  
Vol 83 (1) ◽  
pp. 17008 ◽  
Author(s):  
H. J. Zhao ◽  
V. R. Misko ◽  
F. M. Peeters ◽  
S. Dubonos ◽  
V. Oboznov ◽  
...  
Keyword(s):  
Finite Size ◽  
Size And Shape ◽  
Shape Effects

Electronic transport coefficients in plasmas using an effective energy-dependent electron-ion collision-frequency

2017 ◽  
Vol 24 (10) ◽  
pp. 102701
Author(s):  
G. Faussurier ◽  
C. Blancard ◽  
P. Combis ◽  
A. Decoster ◽  
L. Videau
Keyword(s):  
Electronic Transport ◽  
Collision Frequency ◽  
Transport Coefficients ◽  
Effective Energy ◽  
Energy Dependent ◽  
Ion Collision

scholarly journals Self-Diffusion Coefficients of Methane/n-Hexane Mixtures at High Pressures: An Evaluation of the Finite-Size Effect and a Comparison of Force Fields

2019 ◽  
Author(s):  
Thiago José Pinheiro dos Santos ◽  
Charlles Abreu ◽  
Bruno Horta ◽  
Frederico W. Tavares
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficients ◽  
High Pressures ◽  
Force Fields ◽  
Transport Coefficients ◽  
Finite Size ◽  
Finite Size Effect ◽  
Self Diffusion ◽  
Analytical Correction ◽  
Dynamics Simulations

Mass transport coefficients play an important role in process design and in compositional grading of oil reservoirs. As experimental measurements of these properties can be costly and hazardous, Molecular Dynamics simulations emerge as an alternative approach. In this work, we used Molecular Dynamics to calculate the self-diffusion coefficients of methane/n-hexane mixtures at different conditions, in both liquid and supercritical phases. We evaluated how the finite box size and the choice of the force field affect the calculated properties at high pressures. Results show a strong dependency between self-diffusion and the simulation box size. The Yeh-Hummer analytical correction [J. Phys. Chem. B, 108, 15873 (2004)] can attenuate this effect, but sometimes makes the results depart from experimental data due to issues concerning the force fields. We have also found that different all-atom and united-atom models can produce biased results due to caging effects and to different dihedral configurations of the n-alkane.

scholarly journals Finite size effect of hadronic matter on its transport coefficients

2018 ◽  
Vol 45 (7) ◽  
pp. 075101 ◽  
Author(s):  
Subhasis Samanta ◽  
Sabyasachi Ghosh ◽  
Bedangadas Mohanty
Keyword(s):  
Size Effect ◽  
Transport Coefficients ◽  
Finite Size ◽  
Hadronic Matter ◽  
Finite Size Effect
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