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Volume 12
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10.3390/ma12071118
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Article

Structural Properties and Phase Stability of Primary Y Phase (Ti2SC) in Ti-Stabilized Stainless Steel from Experiments and First Principles

by
Deli Zhao
1,
Yu Zhou
2,
Jiangyu Fan
2,
Tianyu Liu
2,
Yihong Nie
3,
Wantang Fu
1 and
Zhiqing Lv
2,*
1
State Key Laboratory of Metastable Material Science and Technology, Yanshan University, Qinhuangdao 066004, China
2
Key Laboratory of Advanced Forging & Stamping Technology and Science (Yanshan University), Ministry of Education of China, Qinhuangdao 066004, China
3
China First Heavy Industries, Qiqihar 161042, China
*
Author to whom correspondence should be addressed.
Materials 2019, 12(7), 1118; https://doi.org/10.3390/ma12071118
Submission received: 11 March 2019 / Revised: 1 April 2019 / Accepted: 2 April 2019 / Published: 4 April 2019
(This article belongs to the Special Issue Microstructure and Mechanical Properties of Steels)
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Abstract

The morphology and microstructural evaluation of Y phases in AISI 321 (a Ti-stabilized stainless steel) were characterized after hot deformation. The electronic structure and phase stability of titanium carbosulfide were further discussed by first-principle calculations. It was found that Y phases, like curved strips or bones in AISI 321 stainless steel, mostly show a clustered distribution and are approximately arranged in parallel. The width of the Y phase is much less than the length, and the composition of the Y phase is close to that of Ti2SC. Y phases have exceptional thermal stability. The morphology of Y phases changed considerably after forging. During the first calculations, the Ti2SC with hexagonal structure does not spontaneously change into TiS and TiC; however Ti4S2C2 (Z = 2) can spontaneously change into the two phases. The Ti–S bonds are compressed in Ti4S2C2 cells, which leads to poor structural stability for Ti4S2C2. There is a covalent interaction between C/S and Ti, as well as an exchange of electrons between Ti and S/C atoms. Evidently, the mechanical stability of Ti4S2C2 is weak; however, Ti2SC shows high stability. Ti2SC, as a hard brittle phase, does not easily undergo plastic deformation.
Keywords: phase stability; Ti-containing steels; structural evaluation; electronic structure; first principles phase stability; Ti-containing steels; structural evaluation; electronic structure; first principles
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MDPI and ACS Style

Zhao, D.; Zhou, Y.; Fan, J.; Liu, T.; Nie, Y.; Fu, W.; Lv, Z. Structural Properties and Phase Stability of Primary Y Phase (Ti2SC) in Ti-Stabilized Stainless Steel from Experiments and First Principles. Materials 2019, 12, 1118. https://doi.org/10.3390/ma12071118

AMA Style

Zhao D, Zhou Y, Fan J, Liu T, Nie Y, Fu W, Lv Z. Structural Properties and Phase Stability of Primary Y Phase (Ti2SC) in Ti-Stabilized Stainless Steel from Experiments and First Principles. Materials. 2019; 12(7):1118. https://doi.org/10.3390/ma12071118

Chicago/Turabian Style

Zhao, Deli, Yu Zhou, Jiangyu Fan, Tianyu Liu, Yihong Nie, Wantang Fu, and Zhiqing Lv. 2019. "Structural Properties and Phase Stability of Primary Y Phase (Ti2SC) in Ti-Stabilized Stainless Steel from Experiments and First Principles" Materials 12, no. 7: 1118. https://doi.org/10.3390/ma12071118

APA Style

Zhao, D., Zhou, Y., Fan, J., Liu, T., Nie, Y., Fu, W., & Lv, Z. (2019). Structural Properties and Phase Stability of Primary Y Phase (Ti2SC) in Ti-Stabilized Stainless Steel from Experiments and First Principles. Materials, 12(7), 1118. https://doi.org/10.3390/ma12071118

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