Zobrazeno 1 - 10
of 36
pro vyhledávání: '"Joanne Budzien"'
Publikováno v:
ASME 2022 Verification, Validation, and Uncertainty Quantification Symposium.
One increasingly important workflow for multiphysics simulations is linking simulation codes that have different physics models and different regimes for which they have been optimized. The science question for this scoping work was evaluating the co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ae02173bf2796c92cbd247d8149a5d5
https://doi.org/10.1115/vvs2022-86808
https://doi.org/10.1115/vvs2022-86808
Publikováno v:
The Journal of Physical Chemistry B. 113:13142-13151
Large-scale molecular dynamics simulations and the reactive force field ReaxFF were used to study shock-induced initiation in crystalline pentaerythritol tetranitrate (PETN). In the calculations, a PETN single crystal was impacted against a wall, dri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f06b84e4d21c75ba8e96bde26fb8b468
https://doi.org/10.1021/jp9016695
https://doi.org/10.1021/jp9016695
Publikováno v:
Macromolecules. 41:9896-9903
This paper describes the finite element implementation of a recently developed constitutive model for the chemical aging of rubber in deformed states. The model was developed from molecular dynamics simulations that investigated two stage networks. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bbcd22353c98e1df51eaa3dd81615dc0
https://doi.org/10.1021/ma801373z
https://doi.org/10.1021/ma801373z
Publikováno v:
Journal of Rheology. 51:517-540
A recent, nonlinear viscoelastic theory for predicting the thermomechanical response of glassy polymers has been shown to predict behaviors from enthalpy relaxation to temperature-dependent mechanical yield in various modes of deformation quite well.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d07934f70ca31d5f39f72ae8c9eb528
https://doi.org/10.1122/1.2716442
https://doi.org/10.1122/1.2716442
Autor:
Dana R. Rottach, Ralf Everaers, Carsten Svaneborg, John G. Curro, Joanne Budzien, Gary S. Grest
Publikováno v:
Rottach, D R, Curro, J G, Budzien, J, Grest, G S, Svaneborg, C & Everaers, R 2007, ' Molecular Dynamics Simulations of Polymer Networks Undergoing Sequential Cross-Linking and Scission Reactions ', Macromolecules, vol. 40, pp. 131-139 . https://doi.org/10.1021/ma062139l
The effects of sequential cross-linking and scission of polymer networks formed in two states ofstrain are investigated using molecular dynamics simulations. Two-stage networks are studied in which a networkformed in the unstrained state (stage 1) un
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e6b5df36349159568c54e7caf7369a4
https://doi.org/10.1021/ma062139l
https://doi.org/10.1021/ma062139l
Publikováno v:
The Journal of Chemical Physics. 121:10291-10298
We performed molecular dynamics simulations of chain systems to investigate general relationships between the system mobility and computed scalar quantities. Three quantities were found that had a simple one-to-one relationship with mobility: packing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62b754c17dd05eab46eedcd290271df2
https://doi.org/10.1063/1.1808694
https://doi.org/10.1063/1.1808694
Publikováno v:
Polymer. 45:3923-3932
Molecular dynamics simulations in the NVT ensemble were performed for a repulsive system of bead-spring polymer chains with angle constraints. The diffusion coefficients of spherical penetrants were measured for different size penetrants as the angle
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4f61b2281349a6aadf8eb59b931ab7b0
https://doi.org/10.1016/j.polymer.2003.12.084
https://doi.org/10.1016/j.polymer.2003.12.084
Publikováno v:
The Journal of Chemical Physics. 119:9269-9273
Molecular dynamics simulations of the diffusion of penetrants in bead-spring polymers were performed along both constant volume and constant pressure paths at several temperatures. By using an effective hard sphere diameter, the packing fractions of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8aff0d49ab96490b8ba65adacc6aa1fb
https://doi.org/10.1063/1.1615231
https://doi.org/10.1063/1.1615231
Autor:
Thomas A. Luther, Mason K. Harrup, A. Elayan, Charles Anthony Allen, William F. Bauer, Frederick F. Stewart, Joanne Budzien, Randall A. LaViolette
Publikováno v:
The Journal of Physical Chemistry B. 107:3168-3176
Comprehensive investigation of lithium ion complexation with 15N-labeled polyphosphazenes 15N-poly[bis(2-(2-methoxyethoxy)ethoxy)phosphazene] (15N-MEEP) and 15N-poly-[((2-allylphenoxy)0.12(4-methoxyphenoxy)1.02(2-(2-methoxyethoxy)ethoxy)0.86)phosphaz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af4f47badd867ec653228975c4df3b59
https://doi.org/10.1021/jp027641w
https://doi.org/10.1021/jp027641w