Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments

Abstract By means of first principles calculation and experiments, a detailed mechanism is proposed to include the stages of slip, adjustment, and expansion for the HCP → FCC phase transformation with the prismatic relation of $${{\{}{10}\bar{{1}}{0}{\}}}_{{hcp}}{\parallel }{\{}{1}\bar{{1}}{0}{{\}}}...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Jia Xi Yang, Heng Lv Zhao, Hao Ran Gong, Min Song, Qing Qiang Ren
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/390c32fa16a247b1b0c5f68359ac4131
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:390c32fa16a247b1b0c5f68359ac4131
record_format	dspace
spelling	oai:doaj.org-article:390c32fa16a247b1b0c5f68359ac41312021-12-02T15:08:43ZProposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments10.1038/s41598-018-20257-92045-2322https://doaj.org/article/390c32fa16a247b1b0c5f68359ac41312018-01-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-20257-9https://doaj.org/toc/2045-2322Abstract By means of first principles calculation and experiments, a detailed mechanism is proposed to include the stages of slip, adjustment, and expansion for the HCP → FCC phase transformation with the prismatic relation of $${{\{}{10}\bar{{1}}{0}{\}}}_{{hcp}}{\parallel }{\{}{1}\bar{{1}}{0}{{\}}}_{{fcc}}$$ { 10 1 ¯ 0 } hcp ∥ { 1 1 ¯ 0 } fcc and $${{[}{0001}{]}}_{{hcp}}{\parallel }{[}{001}{{]}}_{{fcc}}$$ [ 0001 ] hcp ∥ [ 001 ] fcc in titanium. It is revealed that the formation of four FCC layers is preferable after the slip of Shockley partial dislocations of 1/6 $$\langle {1}\bar{{2}}{10}\rangle $$ 〈 1 2 ¯ 10 〉 on $${\{}{10}\bar{{1}}{0}{\}}$$ { 10 1 ¯ 0 } planes, and that the adjustment of interplanar spacing and the volume expansion are energetically favorable and could happen spontaneously without any energy barrier. It is also found that the transformed FCC lattice first follows the c/a ratio (1.583) of HCP and then becomes an ideal FCC structure (c/a = √2). The proposed mechanism could not only provide a deep understanding to the process of HCP → FCC prismatic transformation in titanium, but also clarify the controversy regarding volume expansion of HCP-FCC phase transition of titanium in the literature.Jia Xi YangHeng Lv ZhaoHao Ran GongMin SongQing Qiang RenNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-9 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Jia Xi Yang Heng Lv Zhao Hao Ran Gong Min Song Qing Qiang Ren Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments
description	Abstract By means of first principles calculation and experiments, a detailed mechanism is proposed to include the stages of slip, adjustment, and expansion for the HCP → FCC phase transformation with the prismatic relation of $${{\{}{10}\bar{{1}}{0}{\}}}_{{hcp}}{\parallel }{\{}{1}\bar{{1}}{0}{{\}}}_{{fcc}}$$ { 10 1 ¯ 0 } hcp ∥ { 1 1 ¯ 0 } fcc and $${{[}{0001}{]}}_{{hcp}}{\parallel }{[}{001}{{]}}_{{fcc}}$$ [ 0001 ] hcp ∥ [ 001 ] fcc in titanium. It is revealed that the formation of four FCC layers is preferable after the slip of Shockley partial dislocations of 1/6 $$\langle {1}\bar{{2}}{10}\rangle $$ 〈 1 2 ¯ 10 〉 on $${\{}{10}\bar{{1}}{0}{\}}$$ { 10 1 ¯ 0 } planes, and that the adjustment of interplanar spacing and the volume expansion are energetically favorable and could happen spontaneously without any energy barrier. It is also found that the transformed FCC lattice first follows the c/a ratio (1.583) of HCP and then becomes an ideal FCC structure (c/a = √2). The proposed mechanism could not only provide a deep understanding to the process of HCP → FCC prismatic transformation in titanium, but also clarify the controversy regarding volume expansion of HCP-FCC phase transition of titanium in the literature.
format	article
author	Jia Xi Yang Heng Lv Zhao Hao Ran Gong Min Song Qing Qiang Ren
author_facet	Jia Xi Yang Heng Lv Zhao Hao Ran Gong Min Song Qing Qiang Ren
author_sort	Jia Xi Yang
title	Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments
title_short	Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments
title_full	Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments
title_fullStr	Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments
title_full_unstemmed	Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments
title_sort	proposed mechanism of hcp → fcc phase transition in titianium through first principles calculation and experiments
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/390c32fa16a247b1b0c5f68359ac4131
work_keys_str_mv	AT jiaxiyang proposedmechanismofhcpfccphasetransitionintitianiumthroughfirstprinciplescalculationandexperiments AT henglvzhao proposedmechanismofhcpfccphasetransitionintitianiumthroughfirstprinciplescalculationandexperiments AT haorangong proposedmechanismofhcpfccphasetransitionintitianiumthroughfirstprinciplescalculationandexperiments AT minsong proposedmechanismofhcpfccphasetransitionintitianiumthroughfirstprinciplescalculationandexperiments AT qingqiangren proposedmechanismofhcpfccphasetransitionintitianiumthroughfirstprinciplescalculationandexperiments
_version_	1718387991642112000

Proposed mechanism of HCP → FCC phase transition in titianium through first principles calculation and experiments

Ejemplares similares