Role of Ionic Clusters in Dynamics of Ionomer Melts: From Atomistic to Coarse Grained Simulations

Anupriya Agrawal
Bulletin of the American Physical Society 2016

2016
Dynamics in entangled polyethylene melts

K. Michael Salerno , Anupriya Agrawal , Brandon L. Peters , Dvora Perahia
European Physical Journal-special Topics 225 ( 8) 1707 -1722

14
2016
Phases in the (1 − x)Na0.5Bi0.5TiO3–(x)CaTiO3 system

Rajeev Ranjan , Rohini Garg , V Kothai , Anupriya Agrawal
Journal of Physics: Condensed Matter 22 ( 7) 075901

24
2010
Structured Ionomer Thin Films at Water Interface: Molecular Dynamics Simulation Insight

Dipak Aryal , Anupriya Agrawal , Dvora Perahia , Gary S. Grest
Langmuir 33 ( 41) 11070 -11076

6
2017
Cluster Morphology-Polymer Dynamics Correlations in Sulfonated Polystyrene Melts: Computational Study.

Anupriya Agrawal , Dvora Perahia , Gary S. Grest
Physical Review Letters 116 ( 15) 158001

10
2016
Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies

K. Michael Salerno , Anupriya Agrawal , Dvora Perahia , Gary S. Grest
Physical Review Letters 116 ( 5) 058302 -058302

58
2016
Coarse-Grained Modeling of Polyethylene Melts: Effect on Dynamics.

Brandon L. Peters , K. Michael Salerno , Anupriya Agrawal , Dvora Perahia
Journal of Chemical Theory and Computation 13 ( 6) 2890 -2896

24
2017
Structure and Dynamics of Ionic Block Copolymer Melts: Computational Study

Dipak Aryal , Anupriya Agrawal , Dvora Perahia , Gary S. Grest
Macromolecules 50 ( 18) 7388 -7398

2
2017
Interfacial Response of Semifluorinated Multi‐Block Copolymers

Anupriya Agrawal , Dipak Aryal , Dvora Perahia , Gary S. Grest
Handbook of Fluoropolymer Science and Technology 43 -56

1
2014
Clustering effects in ionic polymers: Molecular dynamics simulations

Anupriya Agrawal , Dvora Perahia , Gary S. Grest
Physical Review E 92 ( 2) 022601 -022601

13
2015
Are hints about glass forming ability hidden in the liquid structure

Juan Wang , Anupriya Agrawal , Katharine Flores
Acta Materialia 171 163 -169

15
2019
Electrical behaviour of zirconium doped calcium copper titanium oxide

Om Parkash , Devendra Kumar , Anubha Goyal , Anupriya Agrawal
Journal of Physics D 41 ( 3) 035401

25
2008
An embedded atom method potential of beryllium

Anupriya Agrawal , Rohan Mishra , Logan Ward , Katharine M Flores
Modelling and Simulation in Materials Science and Engineering 21 ( 8) 085001

10
2013
Degenerate rhombohedral and orthorhombic states in Ca-substituted Na0.5Bi0.5TiO3

Rajeev Ranjan , V. Kothai , Rohini Garg , Anupriya Agrawal
Applied Physics Letters 95 ( 4) 042904

27
2009
Coarse-Graining Atactic Polystyrene and Its Analogues

Anupriya Agrawal , Dipak Aryal , Dvora Perahia , Ting Ge
Macromolecules 47 ( 9) 3210 -3218

5
2014
Crystal structures of high temperature quantum paraelectrics Na1/2Nd1/2TiO3 and Na1/2Pr1/2TiO3

Rajeev Ranjan , Anupriya Agrawal , Anatoliy Senyshyn , Hans Boysen
Journal of Physics: Condensed Matter 18 ( 41)

11
2006
Rapid production of accurate embedded-atom method potentials for metal alloys

Logan Ward , Anupriya Agrawal , Katharine M Flores , Wolfgang Windl
arXiv preprint arXiv:1209.0619

43
2012
Rapid production of accurate embedded-atom method potentials for metal alloys

Elan J Weiss , Logan Ward , Christian Oberdorfer , Travis Withrow
arXiv preprint arXiv:2208.02223

2
2022
Corrigendum: An embedded atom method potential of beryllium (modelling simul. mater. sci. eng. 21 085001)

Anupriya Agrawal , Rohan Mishra , Logan Ward , Katharine M Flores
Mater. Sci. Eng 21 085001 -085001

2
2015
Molecular Dynamics Simulation of the Mechanical Behavior of Metallic Glass/Crystalline Composites

Anupriya Agrawal , Logan Ward , Katharine Flores , Wolfgang Windl
AIP Conference Proceedings

2012