Online citations, reference lists, and bibliographies.
← Back to Search

Molecular Dynamics Studies On The Strength And Ductility Of Symmetric Thermally Welded Joints

Ishu Aggarwal, Saptarshi Paul, N. Sinha, Sumit Basu
Published 2020 · Materials Science

Save to my Library
Download PDF
Analyze on Scholarcy
Share
Thermal welding is a common joining technique for polymers. In this work we study the effect of various process parameters on the strength and ductility of a symmetric thermally welded joint through molecular dynamics (MD) simulations on carefully prepared and equilibrated macromolecular ensembles. Interdiffusion of mostly chain ends across the interface and formation of entanglements with chains on the other side constitutes the most important mechanism which determines the strength and ductility of the joint. At high temperatures, the entanglement distribution at the interface can become almost indistinguishable from the bulk rather quickly and without motions of the entire chains. The temperature at which the welding is performed and the welding time are the most important process parameters that control the number of entanglements formed across the interface, the interface width, the mechanical properties and mode of failure of the joint. Pressure and quenching rate have marginal effects on the ultimate properties of a thermally welded joint. Our results also indicate that the interface thickness of the welded joint varies linearly with the welding time. The toughness of the welded joint, for chain lengths more than the entanglement length, varies linearly with it. The toughness also scales as the one-fourth power of the time for which the polymers are held at the welding temperature.
This paper references
10.1021/MA971020X
Direct Correlation between Interfacial Width and Adhesion in Glassy Polymers
R. Schnell (1998)
10.1063/1.3245303
General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions.
A. Thompson (2009)
10.1063/1.454205
Polymer chain entanglements and brittle fracture
A. Mikos (1988)
10.1098/rsta.2007.2166
Adhesion mechanisms at soft polymer interfaces
L. Léger (2007)
10.1021/MA991821V
Relation between the width of an interface between two polymers and its toughness
H. Brown (2001)
10.1002/PEN.760291906
Welding of polymer interfaces
R. P. Wool (1989)
10.1063/1.1610444
Chain entanglements and fracture energy in interfaces between immiscible polymers
L. Silvestri (2003)
10.1002/POLB.10288
Model for the fracture energy of glassy polymer–polymer interfaces
J. Benkoski (2002)
10.1002/POLB.21020
Relation between the adhesion strength and interfacial width for symmetric polystyrene bilayers
K. Akabori (2006)
10.1007/s10659-010-9249-6
A Unified Interpretation of Stress in Molecular Systems
Nikhil Chandra Admal (2010)
10.1006/JCPH.1995.1039
Fast parallel algorithms for short-range molecular dynamics
S. Plimpton (1993)
10.1016/j.cpc.2005.01.020
Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems
M. Kröger (2005)
10.1063/1.475686
Molecular dynamics simulation of water diffusion in atactic and amorphous isotactic polypropylene
M. Fukuda (1998)
10.1103/PHYSREVLETT.110.098301
Molecular dynamics simulations of polymer welding: strength from interfacial entanglements.
T. Ge (2013)
10.1021/MA020789T
Adhesion between Immiscible Polymers Correlated with Interfacial Entanglements
P. J. Cole (2003)
10.1142/S1758825110000639
ON THE SIMULATION OF UNIAXIAL, COMPRESSIVE BEHAVIOR OF AMORPHOUS, GLASSY POLYMERS WITH MOLECULAR DYNAMICS
D. Mahajan (2010)
10.1016/J.JMPS.2015.01.005
Investigations into crazing in glassy amorphous polymers through molecular dynamics simulations
S. Venkatesan (2015)
10.1103/PhysRevE.80.031803
Topological analysis of polymeric melts: chain-length effects and fast-converging estimators for entanglement length.
R. Hoy (2009)
10.1143/PTPS.191.172
A Study of the Entanglement in Systems with Periodic Boundary Conditions(Statistical Physics and Topology of Polymers with Ramifications to Structure and Function of DNA and Proteins)
E. Panagiotou (2011)
10.1021/MA0607057
Topological Analysis of Linear Polymer Melts: A Statistical Approach
Christos Tzoumanekas (2006)
10.1002/POLB.20384
Identifying the primitive path mesh in entangled polymer liquids
S. Sukumaran (2004)
10.1103/physreve.101.022503
Characterization of entanglements in glassy polymeric ensembles using the Gaussian linking number.
Rasool Ahmad (2020)
10.1088/0965-0393/14/4/002
A molecular dynamics study on the strength and ductility of high Tg polymers
A. Negi (2006)
10.1002/(SICI)1521-3935(19990701)200:7<1806::AID-MACP1806>3.0.CO;2-9
Segregation of diblock copolymers to the interface between weakly incompatible polymers
R. Schnell (1999)



Semantic Scholar Logo Some data provided by SemanticScholar