Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Thomas C. Clancy"'
Autor:
Gregory M. Odegard, Thomas C. Clancy, Pavan K. Valavala, Ananyo Bandyopadhyay, Kristopher E. Wise
Publikováno v:
Polymer. 52:2445-2452
Molecular dynamics and molecular mechanics simulations are used to establish well-equilibrated, validated molecular models of the EPON 862-DETDA epoxy system with a range of crosslink densities using a united atom force field. Molecular dynamics simu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f27e637df49563da72487b9b220b94c0
https://doi.org/10.1016/j.polymer.2011.03.052
https://doi.org/10.1016/j.polymer.2011.03.052
Publikováno v:
International Journal of Thermal Sciences. 49:1555-1560
Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an estab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::00e4717c6f39d56f69cc358fe5fec1f8
https://doi.org/10.1016/j.ijthermalsci.2010.05.007
https://doi.org/10.1016/j.ijthermalsci.2010.05.007
Publikováno v:
Polymer. 50:2736-2742
Atomistic models of epoxy structures were built in order to assess the effect of crosslink degree, moisture content and temperature on the calculated properties of a typical representative generic epoxy. Each atomistic model had approximately 7000 at
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d70c514e9024faa16f17a1e7f94a5e95
https://doi.org/10.1016/j.polymer.2009.04.021
https://doi.org/10.1016/j.polymer.2009.04.021
Publikováno v:
Acta Materialia. 57:525-532
A large number of possible polymer chain conformations exist for a given volume of an amorphous polymer. The prediction of elastic properties of a polymer must therefore consider more than a single combination of chain conformations. A multiscale mod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a2d378f2169ff1b0cf552c23941e0607
https://doi.org/10.1016/j.actamat.2008.09.035
https://doi.org/10.1016/j.actamat.2008.09.035
Publikováno v:
Macromolecules. 39:1731-1739
Novel aromatic/aliphatic polyimides were prepared from 2,7-diamino-9,9'- dioctylfluorene (AFDA) and aromatic dianhydrides. Upon investigating the effectiveness of these polyimides for dispersing single wall carbon nanotubes (SWNTs) in solution, three
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4c751e9a8b999ebecace33906cf1e06
https://doi.org/10.1021/ma051826u
https://doi.org/10.1021/ma051826u
Publikováno v:
Composites Science and Technology. 65:2416-2434
The paper provides details on the current approach to multi-scale modeling and simulation of advanced materials for structural applications. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc5c146cf7f2a187b293c8fb95deb9c8
https://doi.org/10.1016/j.compscitech.2005.06.009
https://doi.org/10.1016/j.compscitech.2005.06.009
Publikováno v:
Polymer. 46:553-562
A continuum-based elastic micromechanics model is developed for silica nanoparticle/polyimide composites with various nanoparticle/polyimide interfacial treatments. The model incorporates the molecular structures of the nanoparticle, polyimide, and i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9382d57caf93b56cdc6edf8e4b03ac93
https://doi.org/10.1016/j.polymer.2004.11.022
https://doi.org/10.1016/j.polymer.2004.11.022
Autor:
Thomas C. Clancy
Publikováno v:
Polymer. 45:7001-7010
A coarse-grained model for a set of three polyimide isomers is developed. Each polyimide is comprised of 3,3′,4,4′-biphenyltetracarboxylic dianhydride (BPDA) and one of three APB isomers: 1,3-bis(4-aminophenoxy)benzene, 1,4-bis(4-aminophenoxy)ben
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a9fe4c10c03102a603f65d11dde808f
https://doi.org/10.1016/j.polymer.2004.08.009
https://doi.org/10.1016/j.polymer.2004.08.009
Autor:
Thomas C. Clancy, Wayne L. Mattice
Publikováno v:
The Journal of Chemical Physics. 115:8221-8225
Recently Clancy et al. reported a Monte Carlo simulation that reproduces the tendency, observed by Mulhaupt and co-workers, for demixing of melts of isotactic polypropylene (iPP) and syndiotactic polypropylene (sPP). The short-range intermolecular in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ad0ff03819046b78f19ad9593dccb6d3
https://doi.org/10.1063/1.1409361
https://doi.org/10.1063/1.1409361
Publikováno v:
The Journal of Physical Chemistry B. 105:11493-11497
Atomistically detailed models of free-standing thin films and the bulk structure of amorphous atactic polystyrene have been produced by reverse mapping from equilibrated coarse-grained models. The bridging technique employed in the simulation allows
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5213728d0db7316a7363fb2021fe6831
https://doi.org/10.1021/jp011588e
https://doi.org/10.1021/jp011588e