TY  - EJOU
AU  - Xu, Chuanlong 
AU  - Fan, Haidong 

TI  - Atomistic	Migration	Mechanisms	of  [1210] Symmetric	Tilt	Grain	 Boundaries	in	Magnesium
T2  - The International Conference on Computational \& Experimental Engineering and Sciences

PY  - 2023
VL  - 25
IS  - 3
SN  - 1933-2815

AB  - Grain	boundary	(GB)	is	an	important	microstructure	and	plays	a	vital	role	in	the	mechanical	properties	of	
polycrystalline	materials	by	GB	migration	and	sliding.	In	this	work,	molecular	dynamic	(MD)	simulations	
were	 performed	 to	 investigate	 the	 migration	 mechanisms	 of	<img src="http://www.techscience.com/files/icces/image/5.png" width="50px"> symmetric	 tilt	 grain	 boundaries	
(STGBs)	in	magnesium.	A	total	of	15	STGBs	with	the	rotation	angle	θ	from	0°	to	90°	were	studied	under	a	
pure	shear	loading.	The	results	show	that	the	GB	migration	mechanisms	are	significantly	influenced	by	the	
GB	structure.	For	small	angle	STGBs	(θ<28°),	the	GB	migration	is	mediated	by	twin	nucleation	from	GB	and	
subsequent	 twin	growth.	For	large	angle	STGBs	(θ>83°),	 the	GB	migration	is	achieved	by	 the	glide	of	GB	
dislocations.	The	medium	angle	STGBs	(28°<θ<83°),	which	are	the	majority	of	studied	STGBs,	were	observed	
to	 be	 transformed	into	 twin	 boundary	 (TB)	 by	 emitting	lattice	 dislocations/stacking	 faults	 (SFs)	 during	
migration.	 The	 migration	 mechanisms	 for	 medium	 angle	 STGBs	 can	 be	 explained	 by	 two	 rules:	 GB
decomposition	and	emission	of	lattice	dislocations/SFs.	This	work	provides	atomic	mechanisms	on	the	GB	
migration,	 which	 are	 important	 for	 understanding	 the	 GB	 behaviors	 and	 mechanical	 properties	 in	
magnesium.
KW  - Molecular	dynamics	simulations;	grain	boundary	migration;	magnesium

DO  - 10.32604/icces.2023.010110