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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.

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Molecular dynamic simulation of thermo-mechanical properties of ultra-thin poly(methyl methacrylate) films./
作者:	Silva Hernandez, Carlos Ardenis.
面頁冊數:	155 p.
附註:	Source: Dissertation Abstracts International, Volume: 71-08, Section: B, page: 4898.
Contained By:	Dissertation Abstracts International71-08B.
標題:	Chemistry, Polymer. -
電子資源:	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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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.
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650 4 $a Engineering, Mechanical. $3 783786
650 4 $a Physics, Molecular. $3 1018648
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