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Molecular dynamic simulation of ther...

Silva Hernandez, Carlos Ardenis.

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Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films.

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films./
Author:	Silva Hernandez, Carlos Ardenis.
Description:	155 p.
Notes:	Source: Dissertation Abstracts International, Volume: 71-08, Section: B, page: 4898.
Contained By:	Dissertation Abstracts International71-08B.
Subject:	Chemistry, Polymer. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3416340
ISBN:	9781124125442

Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films.
Silva Hernandez, Carlos Ardenis.

Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films. - 155 p.

Source: Dissertation Abstracts International, Volume: 71-08, Section: B, page: 4898.

Thesis (Ph.D.)--Texas A&M University, 2010.

The thermal conductivity of PMMA films with thicknesses from 5 to 50 nanometers and layered over a treated silicon substrate is explored numerically by the application of the reverse non-equilibrium molecular dynamics (NEMD) technique and the development of a coarse-grained model for PMMA, which allows for the simulation time of hundreds of nanoseconds required for the study of large polymer systems.

ISBN: 9781124125442Subjects--Topical Terms:

1018428
Chemistry, Polymer.

Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films.
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020 $a 9781124125442
035 $a (UMI)AAI3416340
035 $a AAI3416340
040 $a UMI $c UMI
100 1 $a Silva Hernandez, Carlos Ardenis. $3 1680401
245 1 0 $a Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films.
300 $a 155 p.
500 $a Source: Dissertation Abstracts International, Volume: 71-08, Section: B, page: 4898.
500 $a Advisers: Tahir Cagin; Ed Marotta.
502 $a Thesis (Ph.D.)--Texas A&M University, 2010.
520 $a The thermal conductivity of PMMA films with thicknesses from 5 to 50 nanometers and layered over a treated silicon substrate is explored numerically by the application of the reverse non-equilibrium molecular dynamics (NEMD) technique and the development of a coarse-grained model for PMMA, which allows for the simulation time of hundreds of nanoseconds required for the study of large polymer systems.
520 $a The results showed a constant average thermal conductivity of 0.135 W/m_K for films thickness ranging from 15 to 50 nm, while films under 15 nm in thickness showed a reduction of 30% in their conductivity. It was also observed that polymer samples with a degree of polymerization equal to 25% of the entanglement length had 50% less thermal conductivity than films made of longer chains. The temperature profiles through the films thickness were as predicted by the Fourier equation of heat transfer.
520 $a The relative agreement between the thermal conductivity from experiments (0.212 W/m_K for bulk PMMA) and the results from this investigation shows that with the proper interpretation of results, the coarse-grained NEMD is a useful technique to study transport coefficients in systems at larger nano scales.
590 $a School code: 0803.
650 4 $a Chemistry, Polymer. $3 1018428
650 4 $a Engineering, Mechanical. $3 783786
650 4 $a Physics, Molecular. $3 1018648
690 $a 0495
690 $a 0548
690 $a 0609
710 2 $a Texas A&M University. $3 718977
773 0 $t Dissertation Abstracts International $g 71-08B.
790 1 0 $a Cagin, Tahir, $e advisor
790 1 0 $a Marotta, Ed, $e advisor
790 $a 0803
791 $a Ph.D.
792 $a 2010
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3416340