Layered Structure Induced Anisotropic Low-Energy Recoils in Ti3SiC2

IMR OpenIR

	Layered Structure Induced Anisotropic Low-Energy Recoils in Ti3SiC2
	Liu, B; Petersen, B; Zhang, YW; Wang, JY; Weber, WJ; Liu, B (reprint author), Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China.; Weber, WJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Weber, WJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.; Wang, JY (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China.
	2016-08-01
发表期刊	JOURNAL OF THE AMERICAN CERAMIC SOCIETY
ISSN	0002-7820
卷号	99 期号:8 页码:2693-2698
摘要	Low-energy recoil events in Ti3SiC2 are studied using ab initio molecular dynamics simulations. We find that the threshold displacement energies are orientation dependent because of anisotropic structural and/or bonding characteristic. For Ti and Si in the Ti-Si layer with weak bonds that have mixed covalent, ionic, and metallic characteristic, the threshold displacement energies for recoils perpendicular to the basal planes are larger than those parallel to the basal planes, which is an obvious layered-structure-related behavior. The calculated minimum threshold displacement energies are 7 eV for the C recoil along the [000 (1) over bar] direction, 26 eV for the Si recoil along the [2 (1) over bar(1) over bar0] direction, 24 eV for the Ti in the Ti-C layer along the [2 (1) over bar(1) over bar0] direction and 23 eV for the Ti in the Ti-Si layer along the [2110] direction. These results will advance the understanding of the cascade processes of Ti3SiC2 under irradiation and are expected to yield new perspective on the MAX phase family that includes more than 100 compounds.
部门归属	[liu, bin] shanghai univ, sch mat sci & engn, shanghai 200444, peoples r china ; [liu, bin ; petersen, benjamin ; zhang, yanwen ; weber, william j.] univ tennessee, dept mat sci & engn, knoxville, tn 37996 usa ; [zhang, yanwen ; weber, william j.] oak ridge natl lab, mat sci & technol div, oak ridge, tn 37831 usa ; [wang, jingyang] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china ; [weber, william j.] amer ceram soc, westerville, oh usa
关键词	Max Phases Layered Crystal Structures Density Functional Theory Carbides
学科领域	Materials Science, Ceramics
资助者	University of Tennessee Governor's Chair program; Office of Science, US Department of Energy [DEAC02-05CH11231]
收录类别	sci
语种	英语
WOS记录号	WOS:000386573200021
引用统计	被引频次：11[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/76310
专题	中国科学院金属研究所
通讯作者	Liu, B; Liu, B (reprint author), Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China.; Weber, WJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Weber, WJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.; Wang, JY (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China.
推荐引用方式 GB/T 7714	Liu, B,Petersen, B,Zhang, YW,et al. Layered Structure Induced Anisotropic Low-Energy Recoils in Ti3SiC2[J]. JOURNAL OF THE AMERICAN CERAMIC SOCIETY,2016,99(8):2693-2698.
APA	Liu, B.,Petersen, B.,Zhang, YW.,Wang, JY.,Weber, WJ.,...&Wang, JY .(2016).Layered Structure Induced Anisotropic Low-Energy Recoils in Ti3SiC2.JOURNAL OF THE AMERICAN CERAMIC SOCIETY,99(8),2693-2698.
MLA	Liu, B,et al."Layered Structure Induced Anisotropic Low-Energy Recoils in Ti3SiC2".JOURNAL OF THE AMERICAN CERAMIC SOCIETY 99.8(2016):2693-2698.