Irreversible volume growth in polymer-bonded powder systems: effects of crystalline anisotropy, particle size distribution, and binder strength

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Pressed-powdered crystallites of intrinsically anisotropic materials have been shown to undergo irreversible volume expansion when subjected to repeated cycles of heating and cooling. We develop a coarse-grained (micron-scale) interaction Hamiltonian for this system and perform molecular dynamics simulations, which quantitatively reproduce the experimentally observed irreversible growth. The functional form and values of the interaction parameters at the coarse-grained level are motivated by our knowledge at the atomic/molecular scale, and allows a simple way to incorporate the effect of polymeric binder. We demonstrate that irreversible growth happens only in the presence of intrinsic crystalline anisotropy of the powder material, is mediated ... continued below

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Maiti, A; Gee, R H; Hoffman, D & Fried, L E August 22, 2007.

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Pressed-powdered crystallites of intrinsically anisotropic materials have been shown to undergo irreversible volume expansion when subjected to repeated cycles of heating and cooling. We develop a coarse-grained (micron-scale) interaction Hamiltonian for this system and perform molecular dynamics simulations, which quantitatively reproduce the experimentally observed irreversible growth. The functional form and values of the interaction parameters at the coarse-grained level are motivated by our knowledge at the atomic/molecular scale, and allows a simple way to incorporate the effect of polymeric binder. We demonstrate that irreversible growth happens only in the presence of intrinsic crystalline anisotropy of the powder material, is mediated by particles much smaller than the average crystallite size, and can be significantly reduced in the presence of high-strength polymeric binder with elevated glass transition temperatures.

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PDF-file: 26 pages; size: 1.6 Mbytes

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  • Journal Name: Journal of Applied Physics, vol. 103, no. 5, March 1, 2008, pp. 053504; Journal Volume: 103; Journal Issue: 5

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  • Report No.: UCRL-JRNL-233986
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 942052
  • Archival Resource Key: ark:/67531/metadc896550

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Office of Scientific & Technical Information Technical Reports

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  • August 22, 2007

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  • Sept. 27, 2016, 1:39 a.m.

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  • Dec. 7, 2016, 3:50 p.m.

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Maiti, A; Gee, R H; Hoffman, D & Fried, L E. Irreversible volume growth in polymer-bonded powder systems: effects of crystalline anisotropy, particle size distribution, and binder strength, article, August 22, 2007; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc896550/: accessed October 17, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.