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Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials

Two aspects of conductive heat are focused here (i) the nature of conductive heat, defined as that form of energy that is transferred as a result of a temperature di�erence and (ii) the nature of the intermolecular potentials that induces both thermal energy flow and the temperature profile at the...

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Main Author: Christopher, G.J.
Format: Conference or Workshop Item
Language:English
Published: 2016
Subjects:
Q Science (General)
QD Chemistry
Online Access:http://eprints.um.edu.my/16733/1/ACFrOgAfZCbjj8Va-PFhQQXgBlIgdAhvjmPQevGM2yqQ5r4ILqGtZT5hKZqFnfmHm5XFUu8AFebjb2dNk6vnaDNHcZmsIx2UdF32OnntzQPnfUAHHThVJtIcMqJMLbE%3D.pdf
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spelling my.um.eprints.167332017-01-09T07:15:55Z http://eprints.um.edu.my/16733/ Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials Christopher, G.J. Q Science (General) QD Chemistry Two aspects of conductive heat are focused here (i) the nature of conductive heat, defined as that form of energy that is transferred as a result of a temperature di�erence and (ii) the nature of the intermolecular potentials that induces both thermal energy flow and the temperature profile at the steady state for a 1-D lattice chain. It is found that the standard presuppositions of people like Benofy and Quay (BQ) following Joseph Fourier do not obtain for at least a certain specified regime of intermolecular potential parameters related to harmonic (quadratic) potentials for nearest neighbor interactions. For these harmonic potentials, it appears from the simulation results that steady state solutions exist utilizing non-synthetic thermostats that couple not just the two particles at the extreme ends of the lattice chain, but to a control volume of N particles located at either ends of the chain that does not accord with the unique analytical solutions that obtains for single particle thermostatting at the ends of the lattice with a di�erent thermostatting algorithm that utilizes coupling coe�cients. If the method used here is considered a more ”realistic” or feasible model of the physical reality, then a re-evaluation of some aspects of the standard theoretical methodology is warranted since the standard model solution profile does not accord with the simulation temperature profile determined here for this related model. We also note that the sinusoidal temperature profile generated suggests that thermal integrated circuits with several thermal P-N junctions may be constructed, opening a way to create more complex thermal transistor circuits. A stationary principle is proposed for regions that violate the Fourier principle Jq:rT � 0, where Jq is the heat current vector and T the temperature. 2016 Conference or Workshop Item PeerReviewed application/pdf en http://eprints.um.edu.my/16733/1/ACFrOgAfZCbjj8Va-PFhQQXgBlIgdAhvjmPQevGM2yqQ5r4ILqGtZT5hKZqFnfmHm5XFUu8AFebjb2dNk6vnaDNHcZmsIx2UdF32OnntzQPnfUAHHThVJtIcMqJMLbE%3D.pdf Christopher, G.J. (2016) Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials. In: ICNPAA 2016 Proceedings , 05 - 08 July 2016, University of La Rochelle, France.
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
language English
topic Q Science (General)
QD Chemistry
spellingShingle Q Science (General)
QD Chemistry
Christopher, G.J.
Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials
description Two aspects of conductive heat are focused here (i) the nature of conductive heat, defined as that form of energy that is transferred as a result of a temperature di�erence and (ii) the nature of the intermolecular potentials that induces both thermal energy flow and the temperature profile at the steady state for a 1-D lattice chain. It is found that the standard presuppositions of people like Benofy and Quay (BQ) following Joseph Fourier do not obtain for at least a certain specified regime of intermolecular potential parameters related to harmonic (quadratic) potentials for nearest neighbor interactions. For these harmonic potentials, it appears from the simulation results that steady state solutions exist utilizing non-synthetic thermostats that couple not just the two particles at the extreme ends of the lattice chain, but to a control volume of N particles located at either ends of the chain that does not accord with the unique analytical solutions that obtains for single particle thermostatting at the ends of the lattice with a di�erent thermostatting algorithm that utilizes coupling coe�cients. If the method used here is considered a more ”realistic” or feasible model of the physical reality, then a re-evaluation of some aspects of the standard theoretical methodology is warranted since the standard model solution profile does not accord with the simulation temperature profile determined here for this related model. We also note that the sinusoidal temperature profile generated suggests that thermal integrated circuits with several thermal P-N junctions may be constructed, opening a way to create more complex thermal transistor circuits. A stationary principle is proposed for regions that violate the Fourier principle Jq:rT � 0, where Jq is the heat current vector and T the temperature.
format Conference or Workshop Item
author Christopher, G.J.
author_facet Christopher, G.J.
author_sort Christopher, G.J.
title Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials
title_short Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials
title_full Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials
title_fullStr Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials
title_full_unstemmed Second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials
title_sort second law considerations in fourier heat conduction of a lattice chain in relation to intermolecular potentials
publishDate 2016
url http://eprints.um.edu.my/16733/1/ACFrOgAfZCbjj8Va-PFhQQXgBlIgdAhvjmPQevGM2yqQ5r4ILqGtZT5hKZqFnfmHm5XFUu8AFebjb2dNk6vnaDNHcZmsIx2UdF32OnntzQPnfUAHHThVJtIcMqJMLbE%3D.pdf
http://eprints.um.edu.my/16733/
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score 13.211869

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