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1

Effects of chain stiffness and penetrant size on penetrant diffusion in simple polymers: deduced relations from simulation and PRISM theory

Joanne Budzien, John D. McCoy, Dana Rottach, John G. Curro

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 257 KB

english, 2004

2

Molecular Dynamics Simulations of Polymer Networks Undergoing Sequential Cross-Linking and Scission Reactions

Rottach, Dana R., Curro, John G., Budzien, Joanne, Grest, Gary S., Svaneborg, Carsten, Everaers, Ralf

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 140 KB

english, 2007

3

[IEEE 2009 DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC) - San Diego, CA, USA (2009.06.15-2009.06.18)] 2009 DoD High Performance Computing Modernization Program Users Group Conference - Reactive Molecular Dynamics of Shock- and Shear-Induced Chemistry in Energetic Materials for Future Force Insensitive Munitions

Zybin, Sergey V., Goddard III, William A., Xu, Peng, Budzien, Joanne, Thompson, Aidan

Année:

2009

Langue:

english

Fichier:

PDF, 1.31 MB

english, 2009

4

Reactive Molecular Dynamics Simulations of Shock Through a Single Crystal of Pentaerythritol Tetranitrate

Budzien, Joanne, Thompson, Aidan P., Zybin, Sergey V.

Journal:

Journal of Physical Chemistry B

Année:

2009

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2009

5

Ab initio molecular dynamics simulations of the initial stages of solid–electrolyte interphase formation on lithium ion battery graphitic anodes

Leung, Kevin, Budzien, Joanne L.

Journal:

Physical Chemistry Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2010

6

Permanent Set of Cross-Linking Networks: Comparison of Theory with Molecular Dynamics Simulations

Rottach, Dana R., Curro, John G., Budzien, Joanne, Grest, Gary S., Svaneborg, Carsten, Everaers, Ralf

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 194 KB

english, 2006

7

On the Mechanism of Ion Transport through Polyphosphazene Solid Polymer Electrolytes: NMR, IR, and Raman Spectroscopic Studies and Computational Analysis of 15 N-Labeled Polyphosphazenes

Luther, Thomas A., Stewart, Frederick F., Budzien, Joanne L., LaViolette, Randall A., Bauer, William F., Harrup, Mason K., Allen, Christopher W., Elayan, Azzam

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 164 KB

english, 2003

8

Potential energy clock model: Justification and challenging predictions

Adolf, Douglas B., Chambers, Robert S., Flemming, Jesse, Budzien, Joanne, McCoy, John

Journal:

Journal of Rheology

Année:

2007

Langue:

english

Fichier:

PDF, 690 KB

english, 2007

9

Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate

Yu, Jiamei, Balbuena, Perla B., Budzien, Joanne, Leung, Kevin

Journal:

Journal of The Electrochemical Society

Année:

2011

Langue:

english

Fichier:

PDF, 4.36 MB

english, 2011

10

A New Constitutive Model for the Chemical Aging of Rubber Networks in Deformed States

Budzien, Joanne, Rottach, Dana R., Curro, John G., Lo, Chi S., Thompson, Aidan P.

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 146 KB

english, 2008

11

Solubility of Gases in Amorphous Polyethylene

Budzien, Joanne L., McCoy, John D., Weinkauf, Donald H., LaViolette, Randall A., Peterson, Eric S.

Journal:

Année:

1998

Langue:

english

Fichier:

PDF, 58 KB

english, 1998

12

The Solubility of Gases in Polyethylene: Integral Equation Study of Standard Molecular Models Volume 31, Number 19, September 22, 1998, p 6669

Budzien, Joanne L., McCoy, John D., Curro, John G., LaViolette, Randall A., Peterson, Eric S.

Journal:

Année:

1998

Langue:

english

Fichier:

PDF, 29 KB

english, 1998

13

The Solubility of Gases in Polyethylene: Integral Equation Study of Standard Molecular Models

Budzien, Joanne L., McCoy, John D., Curro, John G., LaViolette, Randall A., Peterson, Eric S.

Journal:

Année:

1998

Langue:

english

Fichier:

PDF, 69 KB

english, 1998

14

General relationships between the mobility of a chain fluid and various computed scalar metrics

Budzien, Joanne, McCoy, John D., Adolf, Douglas B.

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 391 KB

english, 2004

15

Do dynamical systems follow Benford’s law?

Tolle, Charles R., Budzien, Joanne L., LaViolette, Randall A.

Journal:

Chaos An Interdisciplinary Journal of Nonlinear Science

Année:

2000

Langue:

english

Fichier:

PDF, 683 KB

english, 2000

16

Solute mobility and packing fraction: A new look at the Doolittle equation for the polymer glass transition

Budzien, Joanne, McCoy, John D., Adolf, Douglas B.

Journal:

The Journal of Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 297 KB

english, 2003

17

Cole–Davidson dynamics of simple chain models

Dotson, Taylor C., Budzien, Joanne, McCoy, John D., Adolf, Douglas B.

Journal:

The Journal of Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2009

18

Effect of chain flexibility on master curve behavior for diffusion coefficient

Budzien, Joanne, Heffernan, Julieanne V., McCoy, John D.

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 918 KB

english, 2013

19

Inherent structure of a molten salt

La Violette, Randall A., Budzien, Joanne L., Stillinger, Frank H.

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 319 KB

english, 2000

20

Segmental dynamics in a blend of alkanes: Nuclear magnetic resonance experiments and molecular dynamics simulation

Budzien, Joanne, Raphael, Colleen, Ediger, Mark D., de Pablo, Juan J.

Journal:

The Journal of Chemical Physics

Année:

2002

Langue:

english

Fichier:

PDF, 348 KB

english, 2002

21

Molecular flexibility effects upon liquid dynamics

Heffernan, Julieanne V., Budzien, Joanne, Wilson, Aaron T., Baca, Robert J., Aston, Victoria J., Avila, Francisco, McCoy, John D., Adolf, Douglas B.

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 152 KB

english, 2007

22

Rotational relaxation in simple chain models

Heffernan, Julieanne V., Budzien, Joanne, Avila, Francisco, Dotson, Taylor C., Aston, Victoria J., McCoy, John D., Adolf, Douglas B.

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 632 KB

english, 2007

23

Rheological complexity in simple chain models

Dotson, Taylor C., Heffernan, Julieanne V., Budzien, Joanne, Dotson, Keenan T., Avila, Francisco, Limmer, David T., McCoy, Daniel T., McCoy, John D., Adolf, Douglas B.

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2008