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|a (TOE)ost947247
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|a (TOE)947247
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|a E 1.99:llnl-jrnl-408396
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|a E 1.99:llnl-jrnl-408396
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|a llnl-jrnl-408396
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|a Heterogeneous Directional Mobility in the Early Stages of Polymer Crystallization
|h [electronic resource]
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|a Washington, D.C. :
|b United States. Department of Energy. ;
|a Oak Ridge, Tenn. :
|b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
|c 2008.
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| 300 |
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|a PDF-file: 26 pages; size: 7.8 Mbytes.
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|a text
|b txt
|2 rdacontent.
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|a computer
|b c
|2 rdamedia.
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|a online resource
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|a Published through SciTech Connect.
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|a 11/01/2008.
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|a "llnl-jrnl-408396"
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|a Journal of Chemical Physics, vol. 128, no. 1, January 7, 2008, pp. 014903 128 1 ISSN 0021-9606; JCPSA6 FT.
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|a Lacevic, N; Fried, L E; Gee, R H.
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3 |
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|a Recently we demonstrated via large large-scale molecular dynamics simulations a 'coexistence period' in polymer melt ordering before crystallization, where nucleation and growth mechanisms coexist with a phase phase-separation mechanism. Here we present an extension of this work, where we analyze the directional displacements as a measure of the mobility of monomers as they order during crystallization over more than 100 ns of simulation time. It is found that the polymer melt, after quenching, rapidly separates into many ordered hexagonal domains separated by amorphous regions, where surprisingly, the magnitude of the monomer's displacement in the ordered state, parallel to the domain axial direction, is similar to its magnitude in the melt. T. The monomer he displacements in the domain's lateral direction are found to decrease during the time of the simulation. The ordered hexagonal domains do not align into uniform lamellar structures during the timescales of our simulations.
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|b W-7405-ENG-48.
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| 650 |
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7 |
|a Crystallization.
|2 local.
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| 650 |
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7 |
|a Monomers.
|2 local.
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| 650 |
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7 |
|a Nucleation.
|2 local.
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| 650 |
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7 |
|a Polymers.
|2 local.
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| 650 |
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|a Quenching.
|2 local.
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| 650 |
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7 |
|a Simulation.
|2 local.
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| 650 |
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7 |
|a Classical And Quantumm Mechanics, General Physics.
|2 edbsc.
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| 650 |
|
7 |
|a Materials Science.
|2 edbsc.
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| 650 |
|
7 |
|a Inorganic, Organic, Physical And Analytical Chemistry.
|2 edbsc.
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| 710 |
2 |
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|a Lawrence Berkeley National Laboratory.
|4 res.
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| 710 |
1 |
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|a United States.
|b Department of Energy.
|4 spn.
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| 710 |
1 |
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|a United States.
|b Department of Energy.
|b Office of Scientific and Technical Information.
|4 dst.
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| 856 |
4 |
0 |
|u http://www.osti.gov/scitech/biblio/947247
|z Online Access
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| 907 |
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|a .b70535036
|b 03-07-23
|c 04-03-12
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| 998 |
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|a web
|b 09-09-16
|c f
|d m
|e p
|f eng
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|h 0
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|a Information bridge
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|s b62028a6-0ed8-5899-a350-6c30746ceed0
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| 952 |
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|p Can circulate
|a University of Colorado Boulder
|b Online
|c Online
|d Online
|e E 1.99:llnl-jrnl-408396
|h Superintendent of Documents classification
|i web
|n 1
|
