TY  - EJOU
AU  - Riku, Isamu 
AU  - Mimura, Koji 

TI  - Molecular	Dynamic	Study	on	Entangled	Structure	of	Polymer	Chains’	 Network	under	High	Speed	Loading	Condition
T2  - The International Conference on Computational \& Experimental Engineering and Sciences

PY  - 2023
VL  - 26
IS  - 3
SN  - 1933-2815

AB  - It	 is	 well	 known	 that	 the	 mechanical	 resistance	 of	 soft	 materials	 such	 as	 rubber	 and	 elastomer	 can	 be	
improved	by	cross-linkages	or	fillers,	which	will	lead	to	a	construction	of	entangled	structure	of	polymer	
chains’	 network.	 However,	 the	 correlation	 between	 the	 amount	 of	 cross-linkages	 or	 fillers	 with	 the	
toughness	 strength	 of	 the	 resultant	 material	 has	 not	 been	 clarified.	 Therefore,	 in	 this	 study,	 we	 at	 first	
construct	a	computational	model	for	the	resultant	material	with	molecular	dynamics	method.	Then,	a	series	
of	simulations	are	performed	for	the	resultant	materials	with	different	amount	of	cross-linkages	or	fillers	
under	 high	 speed loading	 condition.	 Finally,	 the	 development	 of	 entangled	 structure	 of	 polymer	 chains’	
network is	investigated	and	the	effect	of	such	development	on	the	toughness	strength	of	soft	materials	is	
evaluated. The	 results	 show	 that	 even	 though the	increase	 of	 the	 amount	 of	 cross-linkages	leads	 to	 the	
increase	of	the	mechanical	resistance,	the	development	of	the	average	radius	of	gyration	of	polymer	chains	
is	suppressed.	As	a	result,	the	relative	movement	of	polymer	chains	is	limited	in	the	soft material	with	large	
amount	 of	cross-linkages	and	 the	 toughness	 strength	decreases	eventually. With	 regard	 to	 the	effects of	
speed	 of	 loading	 on	 the	 development	 of	 entangled	 structure	 of	 polymer	 chain’s	 network as	 well	 as	 the	
toughness	strength	of	soft	materials,	we	will	show	them in	our	full	paper.
KW  - Molecular	dynamics	method;	polymer	chain’s	network;	entangled	structure; toughness	strength

DO  - 10.32604/icces.2023.09070