Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation

N Liao; GQ Zhang; D Pavel; O van der Sluis; KMB Jansen; LJ Ernst

Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation

N Liao, GQ Zhang, D Pavel, O van der Sluis, KMB Jansen, LJ Ernst

Computational Design and Mechanics

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific

5 Citations (Scopus)

Abstract

Behavior of epoxy resin is critical for performance and reliability of electronic packages. The ability to predict properties of cross linked epoxy resin prior to laboratory synthesis will facilitate the materials design. Theoretical studies in this field face a big challenge because there is no conventional way to build atomistic models of specific polymers, which form a network. Molecular dynamics (MD) is a potentially powerful method that can simulate the materials at atomic scale and it can be used to describe the performance and properties of a wide range of systems. In the present work, the properties of the cross-linked epoxy resin compound were predicted by MD simulations. Periodic amorphous structures of the cross-linked epoxy resin compound were simulated at various temperatures. The correlation of the glass transition temperature (Tg) and properties of the cross-linked epoxy resin coumpound were investigated. The results show that Tg can be estimated by the plot of densities and non-bond energy at different temperatures. The Tg predicted was in agreement with the experimental data, which shows that MD simulation is an effective tool to estimate the properties of crosslinked epoxy resin.

Original language	Undefined/Unknown
Title of host publication	Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands
Editors	Ernst, L.J., Zhang, G.Q., Driel, W.D. van, Rodgers, P., Bailey, C., Saint Leger, O. de
Publisher	IEEE Society
Pages	546-549
Number of pages	4
ISBN (Print)	978-1-4244-4159-4
Publication status	Published - 2009

Publication series

Name
Publisher	IEEE

Keywords

conference contrib. refereed
Conf.proc. > 3 pag

Cite this

Liao, N., Zhang, GQ., Pavel, D., van der Sluis, O., Jansen, KMB., & Ernst, LJ. (2009). Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation. In Ernst, L.J., Zhang, G.Q., Driel, W.D. van, Rodgers, P., Bailey, C., & Saint Leger, O. de (Eds.), Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands (pp. 546-549). IEEE Society.

Liao, N ; Zhang, GQ ; Pavel, D et al. / Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation. Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands. editor / Ernst, L.J. ; Zhang, G.Q. ; Driel, W.D. van ; Rodgers, P. ; Bailey, C. ; Saint Leger, O. de. IEEE Society, 2009. pp. 546-549

@inproceedings{63cff33cc3314f28b465bf9cdb6d48f3,

title = "Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation",

abstract = "Behavior of epoxy resin is critical for performance and reliability of electronic packages. The ability to predict properties of cross linked epoxy resin prior to laboratory synthesis will facilitate the materials design. Theoretical studies in this field face a big challenge because there is no conventional way to build atomistic models of specific polymers, which form a network. Molecular dynamics (MD) is a potentially powerful method that can simulate the materials at atomic scale and it can be used to describe the performance and properties of a wide range of systems. In the present work, the properties of the cross-linked epoxy resin compound were predicted by MD simulations. Periodic amorphous structures of the cross-linked epoxy resin compound were simulated at various temperatures. The correlation of the glass transition temperature (Tg) and properties of the cross-linked epoxy resin coumpound were investigated. The results show that Tg can be estimated by the plot of densities and non-bond energy at different temperatures. The Tg predicted was in agreement with the experimental data, which shows that MD simulation is an effective tool to estimate the properties of crosslinked epoxy resin.",

keywords = "conference contrib. refereed, Conf.proc. > 3 pag",

author = "N Liao and GQ Zhang and D Pavel and {van der Sluis}, O and KMB Jansen and LJ Ernst",

year = "2009",

language = "Undefined/Unknown",

isbn = "978-1-4244-4159-4",

publisher = "IEEE Society",

pages = "546--549",

editor = "{Ernst, L.J.} and {Zhang, G.Q.} and {Driel, W.D. van} and {Rodgers, P.} and {Bailey, C.} and {Saint Leger, O. de}",

booktitle = "Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands",

}

Liao, N, Zhang, GQ, Pavel, D, van der Sluis, O, Jansen, KMB & Ernst, LJ 2009, Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation. in Ernst, L.J., Zhang, G.Q., Driel, W.D. van, Rodgers, P., Bailey, C. & Saint Leger, O. de (eds), Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands. IEEE Society, pp. 546-549.

Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation. / Liao, N; Zhang, GQ; Pavel, D et al.
Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands. ed. / Ernst, L.J.; Zhang, G.Q.; Driel, W.D. van; Rodgers, P.; Bailey, C.; Saint Leger, O. de. IEEE Society, 2009. p. 546-549.

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific

TY - GEN

T1 - Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation

AU - Liao, N

AU - Zhang, GQ

AU - Pavel, D

AU - van der Sluis, O

AU - Jansen, KMB

AU - Ernst, LJ

PY - 2009

Y1 - 2009

N2 - Behavior of epoxy resin is critical for performance and reliability of electronic packages. The ability to predict properties of cross linked epoxy resin prior to laboratory synthesis will facilitate the materials design. Theoretical studies in this field face a big challenge because there is no conventional way to build atomistic models of specific polymers, which form a network. Molecular dynamics (MD) is a potentially powerful method that can simulate the materials at atomic scale and it can be used to describe the performance and properties of a wide range of systems. In the present work, the properties of the cross-linked epoxy resin compound were predicted by MD simulations. Periodic amorphous structures of the cross-linked epoxy resin compound were simulated at various temperatures. The correlation of the glass transition temperature (Tg) and properties of the cross-linked epoxy resin coumpound were investigated. The results show that Tg can be estimated by the plot of densities and non-bond energy at different temperatures. The Tg predicted was in agreement with the experimental data, which shows that MD simulation is an effective tool to estimate the properties of crosslinked epoxy resin.

AB - Behavior of epoxy resin is critical for performance and reliability of electronic packages. The ability to predict properties of cross linked epoxy resin prior to laboratory synthesis will facilitate the materials design. Theoretical studies in this field face a big challenge because there is no conventional way to build atomistic models of specific polymers, which form a network. Molecular dynamics (MD) is a potentially powerful method that can simulate the materials at atomic scale and it can be used to describe the performance and properties of a wide range of systems. In the present work, the properties of the cross-linked epoxy resin compound were predicted by MD simulations. Periodic amorphous structures of the cross-linked epoxy resin compound were simulated at various temperatures. The correlation of the glass transition temperature (Tg) and properties of the cross-linked epoxy resin coumpound were investigated. The results show that Tg can be estimated by the plot of densities and non-bond energy at different temperatures. The Tg predicted was in agreement with the experimental data, which shows that MD simulation is an effective tool to estimate the properties of crosslinked epoxy resin.

KW - conference contrib. refereed

KW - Conf.proc. > 3 pag

M3 - Conference contribution

SN - 978-1-4244-4159-4

SP - 546

EP - 549

BT - Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands

A2 - Ernst, L.J., null

A2 - Zhang, G.Q., null

A2 - Driel, W.D. van, null

A2 - Rodgers, P., null

A2 - Bailey, C., null

A2 - Saint Leger, O. de, null

PB - IEEE Society

ER -

Liao N, Zhang GQ, Pavel D, van der Sluis O, Jansen KMB, Ernst LJ. Investigation on Thermal Properties of Crosslinked Epoxy Resin by MD Simulation. In Ernst, L.J., Zhang, G.Q., Driel, W.D. van, Rodgers, P., Bailey, C., Saint Leger, O. de, editors, Proceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems, EuroSimE 2009, 27-29 April 2009, Delft, The Netherlands. IEEE Society. 2009. p. 546-549