Influence of Nonmetallic Interstitials on the Phase Transformation between FCC and HCP Titanium: A Density Functional Theory Study Article Swipe

PDF

Mengmeng Yang , Jianan Hu , Shuo Cao , Guang Feng , Yi Yang , Renci Liu , Shujun Li , Fu Zhao , Aihan Feng , Qing‐Miao Hu , Aijun Huang , Hao Wang ·

YOU? · · 2022 · Open Access · · DOI: https://doi.org/10.3390/met12101607

In addition to the common stable and metastable phases in titanium alloys, the face-centered cubic phase was recently observed under various conditions; however, its formation remains largely unclarified. In this work, the effect of nonmetallic interstitial atoms O, N, C and B on the formation of the face-centered cubic phase of titanium was investigated with the density functional theory. The results indicate that the occupancy of O, N, C and B on the octahedral interstitial sites reduces the energy gap between the hexagonal-close-packed (HCP) and face-centered cubic (FCC) phases, thus assisting the formation of FCC-Ti under elevated temperature or plastic deformation. Such a gap further decreases with the increase in the interstitial content, which is consistent with the experimental observation of FCC-Ti under high interstitial content. The relative stability of the interstitial-containing HCP-Ti and FCC-Ti was studied against the physical and chemical origins, e.g., the lattice distortion and the electronic bonding. Interstitial O, N, C and B also reduce the stacking fault energy, thus further benefiting the formation of FCC-Ti.

Related Topics

Concepts

Materials science Interstitial defect Titanium Metastability Density functional theory Crystallography Octahedron Stacking fault Cubic crystal system Phase (matter) Stacking-fault energy Lattice (music) Chemical physics Crystal structure Metallurgy Dislocation Computational chemistry Composite material Microstructure Chemistry Acoustics Physics Doping Optoelectronics Organic chemistry

Metadata

Type: article
Language: en
Landing Page: https://doi.org/10.3390/met12101607
PDF: https://www.mdpi.com/2075-4701/12/10/1607/pdf?version=1664346477
OA Status: gold
Cited By: 5
References: 55
Related Works: 10
OpenAlex ID: https://openalex.org/W4297547893

All OpenAlex metadata

Raw OpenAlex JSON

OpenAlex ID: https://openalex.org/W4297547893

Canonical identifier for this work in OpenAlex
DOI: https://doi.org/10.3390/met12101607

Digital Object Identifier
Title: Influence of Nonmetallic Interstitials on the Phase Transformation between FCC and HCP Titanium: A Density Functional Theory Study

Work title
Type: article

OpenAlex work type
Language: en

Primary language
Publication year: 2022

Year of publication
Publication date: 2022-09-26

Full publication date if available
Authors: Mengmeng Yang, Jianan Hu, Shuo Cao, Guang Feng, Yi Yang, Renci Liu, Shujun Li, Fu Zhao, Aihan Feng, Qing‐Miao Hu, Aijun Huang, Hao Wang

List of authors in order
Landing page: https://doi.org/10.3390/met12101607

Publisher landing page
PDF URL: https://www.mdpi.com/2075-4701/12/10/1607/pdf?version=1664346477

Direct link to full text PDF
Open access: Yes

Whether a free full text is available
OA status: gold

Open access status per OpenAlex
OA URL: https://www.mdpi.com/2075-4701/12/10/1607/pdf?version=1664346477

Direct OA link when available
Concepts: Materials science, Interstitial defect, Titanium, Metastability, Density functional theory, Crystallography, Octahedron, Stacking fault, Cubic crystal system, Phase (matter), Stacking-fault energy, Lattice (music), Chemical physics, Crystal structure, Metallurgy, Dislocation, Computational chemistry, Composite material, Microstructure, Chemistry, Acoustics, Physics, Doping, Optoelectronics, Organic chemistry

Top concepts (fields/topics) attached by OpenAlex
Cited by: 5

Total citation count in OpenAlex
Citations by year (recent): 2025: 3, 2024: 2

Per-year citation counts (last 5 years)
References (count): 55

Number of works referenced by this work
Related works (count): 10

Other works algorithmically related by OpenAlex

Full payload

id	https://openalex.org/W4297547893
doi	https://doi.org/10.3390/met12101607
ids.doi	https://doi.org/10.3390/met12101607
ids.openalex	https://openalex.org/W4297547893
fwci	0.61500777
type	article
title	Influence of Nonmetallic Interstitials on the Phase Transformation between FCC and HCP Titanium: A Density Functional Theory Study
awards[0].id	https://openalex.org/G6686136580
awards[0].funder_id	https://openalex.org/F4320321001
awards[0].display_name
awards[0].funder_award_id	91960202
awards[0].funder_display_name	National Natural Science Foundation of China
awards[1].id	https://openalex.org/G7362853771
awards[1].funder_id	https://openalex.org/F4320321001
awards[1].display_name
awards[1].funder_award_id	52001307
awards[1].funder_display_name	National Natural Science Foundation of China
biblio.issue	10
biblio.volume	12
biblio.last_page	1607
biblio.first_page	1607
topics[0].id	https://openalex.org/T11442
topics[0].field.id	https://openalex.org/fields/25
topics[0].field.display_name	Materials Science
topics[0].score	0.9998999834060669
topics[0].domain.id	https://openalex.org/domains/3
topics[0].domain.display_name	Physical Sciences
topics[0].subfield.id	https://openalex.org/subfields/2505
topics[0].subfield.display_name	Materials Chemistry
topics[0].display_name	Titanium Alloys Microstructure and Properties
topics[1].id	https://openalex.org/T10377
topics[1].field.id	https://openalex.org/fields/22
topics[1].field.display_name	Engineering
topics[1].score	0.9987999796867371
topics[1].domain.id	https://openalex.org/domains/3
topics[1].domain.display_name	Physical Sciences
topics[1].subfield.id	https://openalex.org/subfields/2211
topics[1].subfield.display_name	Mechanics of Materials
topics[1].display_name	Metal and Thin Film Mechanics
topics[2].id	https://openalex.org/T11242
topics[2].field.id	https://openalex.org/fields/25
topics[2].field.display_name	Materials Science
topics[2].score	0.9983000159263611
topics[2].domain.id	https://openalex.org/domains/3
topics[2].domain.display_name	Physical Sciences
topics[2].subfield.id	https://openalex.org/subfields/2505
topics[2].subfield.display_name	Materials Chemistry
topics[2].display_name	Nuclear Materials and Properties
funders[0].id	https://openalex.org/F4320321001
funders[0].ror	https://ror.org/01h0zpd94
funders[0].display_name	National Natural Science Foundation of China
is_xpac	False
apc_list.value	2000
apc_list.currency	CHF
apc_list.value_usd	2165
apc_paid.value	2000
apc_paid.currency	CHF
apc_paid.value_usd	2165
concepts[0].id	https://openalex.org/C192562407
concepts[0].level	0
concepts[0].score	0.7947862148284912
concepts[0].wikidata	https://www.wikidata.org/wiki/Q228736
concepts[0].display_name	Materials science
concepts[1].id	https://openalex.org/C60546165
concepts[1].level	3
concepts[1].score	0.6806433200836182
concepts[1].wikidata	https://www.wikidata.org/wiki/Q188132
concepts[1].display_name	Interstitial defect
concepts[2].id	https://openalex.org/C506065880
concepts[2].level	2
concepts[2].score	0.6714619398117065
concepts[2].wikidata	https://www.wikidata.org/wiki/Q716
concepts[2].display_name	Titanium
concepts[3].id	https://openalex.org/C89464430
concepts[3].level	2
concepts[3].score	0.6278754472732544
concepts[3].wikidata	https://www.wikidata.org/wiki/Q849516
concepts[3].display_name	Metastability
concepts[4].id	https://openalex.org/C152365726
concepts[4].level	2
concepts[4].score	0.5831653475761414
concepts[4].wikidata	https://www.wikidata.org/wiki/Q1048589
concepts[4].display_name	Density functional theory
concepts[5].id	https://openalex.org/C8010536
concepts[5].level	1
concepts[5].score	0.5742611885070801
concepts[5].wikidata	https://www.wikidata.org/wiki/Q160398
concepts[5].display_name	Crystallography
concepts[6].id	https://openalex.org/C198819137
concepts[6].level	3
concepts[6].score	0.5608662366867065
concepts[6].wikidata	https://www.wikidata.org/wiki/Q188884
concepts[6].display_name	Octahedron
concepts[7].id	https://openalex.org/C2778536302
concepts[7].level	3
concepts[7].score	0.5320806503295898
concepts[7].wikidata	https://www.wikidata.org/wiki/Q19630360
concepts[7].display_name	Stacking fault
concepts[8].id	https://openalex.org/C24444364
concepts[8].level	2
concepts[8].score	0.5166431069374084
concepts[8].wikidata	https://www.wikidata.org/wiki/Q473227
concepts[8].display_name	Cubic crystal system
concepts[9].id	https://openalex.org/C44280652
concepts[9].level	2
concepts[9].score	0.4771023392677307
concepts[9].wikidata	https://www.wikidata.org/wiki/Q104837
concepts[9].display_name	Phase (matter)
concepts[10].id	https://openalex.org/C22372946
concepts[10].level	3
concepts[10].score	0.4598262310028076
concepts[10].wikidata	https://www.wikidata.org/wiki/Q2332019
concepts[10].display_name	Stacking-fault energy
concepts[11].id	https://openalex.org/C2781204021
concepts[11].level	2
concepts[11].score	0.4364798963069916
concepts[11].wikidata	https://www.wikidata.org/wiki/Q6497091
concepts[11].display_name	Lattice (music)
concepts[12].id	https://openalex.org/C159467904
concepts[12].level	1
concepts[12].score	0.3843151330947876
concepts[12].wikidata	https://www.wikidata.org/wiki/Q2001702
concepts[12].display_name	Chemical physics
concepts[13].id	https://openalex.org/C115624301
concepts[13].level	2
concepts[13].score	0.30457955598831177
concepts[13].wikidata	https://www.wikidata.org/wiki/Q895901
concepts[13].display_name	Crystal structure
concepts[14].id	https://openalex.org/C191897082
concepts[14].level	1
concepts[14].score	0.2452009618282318
concepts[14].wikidata	https://www.wikidata.org/wiki/Q11467
concepts[14].display_name	Metallurgy
concepts[15].id	https://openalex.org/C159122135
concepts[15].level	2
concepts[15].score	0.21947795152664185
concepts[15].wikidata	https://www.wikidata.org/wiki/Q737571
concepts[15].display_name	Dislocation
concepts[16].id	https://openalex.org/C147597530
concepts[16].level	1
concepts[16].score	0.19819584488868713
concepts[16].wikidata	https://www.wikidata.org/wiki/Q369472
concepts[16].display_name	Computational chemistry
concepts[17].id	https://openalex.org/C159985019
concepts[17].level	1
concepts[17].score	0.13208919763565063
concepts[17].wikidata	https://www.wikidata.org/wiki/Q181790
concepts[17].display_name	Composite material
concepts[18].id	https://openalex.org/C87976508
concepts[18].level	2
concepts[18].score	0.12839019298553467
concepts[18].wikidata	https://www.wikidata.org/wiki/Q1498213
concepts[18].display_name	Microstructure
concepts[19].id	https://openalex.org/C185592680
concepts[19].level	0
concepts[19].score	0.12146291136741638
concepts[19].wikidata	https://www.wikidata.org/wiki/Q2329
concepts[19].display_name	Chemistry
concepts[20].id	https://openalex.org/C24890656
concepts[20].level	1
concepts[20].score	0.0
concepts[20].wikidata	https://www.wikidata.org/wiki/Q82811
concepts[20].display_name	Acoustics
concepts[21].id	https://openalex.org/C121332964
concepts[21].level	0
concepts[21].score	0.0
concepts[21].wikidata	https://www.wikidata.org/wiki/Q413
concepts[21].display_name	Physics
concepts[22].id	https://openalex.org/C57863236
concepts[22].level	2
concepts[22].score	0.0
concepts[22].wikidata	https://www.wikidata.org/wiki/Q1130571
concepts[22].display_name	Doping
concepts[23].id	https://openalex.org/C49040817
concepts[23].level	1
concepts[23].score	0.0
concepts[23].wikidata	https://www.wikidata.org/wiki/Q193091
concepts[23].display_name	Optoelectronics
concepts[24].id	https://openalex.org/C178790620
concepts[24].level	1
concepts[24].score	0.0
concepts[24].wikidata	https://www.wikidata.org/wiki/Q11351
concepts[24].display_name	Organic chemistry
keywords[0].id	https://openalex.org/keywords/materials-science
keywords[0].score	0.7947862148284912
keywords[0].display_name	Materials science
keywords[1].id	https://openalex.org/keywords/interstitial-defect
keywords[1].score	0.6806433200836182
keywords[1].display_name	Interstitial defect
keywords[2].id	https://openalex.org/keywords/titanium
keywords[2].score	0.6714619398117065
keywords[2].display_name	Titanium
keywords[3].id	https://openalex.org/keywords/metastability
keywords[3].score	0.6278754472732544
keywords[3].display_name	Metastability
keywords[4].id	https://openalex.org/keywords/density-functional-theory
keywords[4].score	0.5831653475761414
keywords[4].display_name	Density functional theory
keywords[5].id	https://openalex.org/keywords/crystallography
keywords[5].score	0.5742611885070801
keywords[5].display_name	Crystallography
keywords[6].id	https://openalex.org/keywords/octahedron
keywords[6].score	0.5608662366867065
keywords[6].display_name	Octahedron
keywords[7].id	https://openalex.org/keywords/stacking-fault
keywords[7].score	0.5320806503295898
keywords[7].display_name	Stacking fault
keywords[8].id	https://openalex.org/keywords/cubic-crystal-system
keywords[8].score	0.5166431069374084
keywords[8].display_name	Cubic crystal system
keywords[9].id	https://openalex.org/keywords/phase
keywords[9].score	0.4771023392677307
keywords[9].display_name	Phase (matter)
keywords[10].id	https://openalex.org/keywords/stacking-fault-energy
keywords[10].score	0.4598262310028076
keywords[10].display_name	Stacking-fault energy
keywords[11].id	https://openalex.org/keywords/lattice
keywords[11].score	0.4364798963069916
keywords[11].display_name	Lattice (music)
keywords[12].id	https://openalex.org/keywords/chemical-physics
keywords[12].score	0.3843151330947876
keywords[12].display_name	Chemical physics
keywords[13].id	https://openalex.org/keywords/crystal-structure
keywords[13].score	0.30457955598831177
keywords[13].display_name	Crystal structure
keywords[14].id	https://openalex.org/keywords/metallurgy
keywords[14].score	0.2452009618282318
keywords[14].display_name	Metallurgy
keywords[15].id	https://openalex.org/keywords/dislocation
keywords[15].score	0.21947795152664185
keywords[15].display_name	Dislocation
keywords[16].id	https://openalex.org/keywords/computational-chemistry
keywords[16].score	0.19819584488868713
keywords[16].display_name	Computational chemistry
keywords[17].id	https://openalex.org/keywords/composite-material
keywords[17].score	0.13208919763565063
keywords[17].display_name	Composite material
keywords[18].id	https://openalex.org/keywords/microstructure
keywords[18].score	0.12839019298553467
keywords[18].display_name	Microstructure
keywords[19].id	https://openalex.org/keywords/chemistry
keywords[19].score	0.12146291136741638
keywords[19].display_name	Chemistry
language	en
locations[0].id	doi:10.3390/met12101607
locations[0].is_oa	True
locations[0].source.id	https://openalex.org/S4210208383
locations[0].source.issn	2075-4701
locations[0].source.type	journal
locations[0].source.is_oa	True
locations[0].source.issn_l	2075-4701
locations[0].source.is_core	True
locations[0].source.is_in_doaj	True
locations[0].source.display_name	Metals
locations[0].source.host_organization	https://openalex.org/P4310310987
locations[0].source.host_organization_name	Multidisciplinary Digital Publishing Institute
locations[0].source.host_organization_lineage	https://openalex.org/P4310310987
locations[0].source.host_organization_lineage_names	Multidisciplinary Digital Publishing Institute
locations[0].license	cc-by
locations[0].pdf_url	https://www.mdpi.com/2075-4701/12/10/1607/pdf?version=1664346477
locations[0].version	publishedVersion
locations[0].raw_type	journal-article
locations[0].license_id	https://openalex.org/licenses/cc-by
locations[0].is_accepted	True
locations[0].is_published	True
locations[0].raw_source_name	Metals
locations[0].landing_page_url	https://doi.org/10.3390/met12101607
locations[1].id	pmh:oai:doaj.org/article:aa62f39076824355b7954721aa085402
locations[1].is_oa	True
locations[1].source.id	https://openalex.org/S4306401280
locations[1].source.issn
locations[1].source.type	repository
locations[1].source.is_oa	False
locations[1].source.issn_l
locations[1].source.is_core	False
locations[1].source.is_in_doaj	False
locations[1].source.display_name	DOAJ (DOAJ: Directory of Open Access Journals)
locations[1].source.host_organization
locations[1].source.host_organization_name
locations[1].license	cc-by-sa
locations[1].pdf_url
locations[1].version	submittedVersion
locations[1].raw_type	article
locations[1].license_id	https://openalex.org/licenses/cc-by-sa
locations[1].is_accepted	False
locations[1].is_published	False
locations[1].raw_source_name	Metals, Vol 12, Iss 10, p 1607 (2022)
locations[1].landing_page_url	https://doaj.org/article/aa62f39076824355b7954721aa085402
locations[2].id	pmh:oai:mdpi.com:/2075-4701/12/10/1607/
locations[2].is_oa	True
locations[2].source.id	https://openalex.org/S4306400947
locations[2].source.issn
locations[2].source.type	repository
locations[2].source.is_oa	True
locations[2].source.issn_l
locations[2].source.is_core	False
locations[2].source.is_in_doaj	False
locations[2].source.display_name	MDPI (MDPI AG)
locations[2].source.host_organization	https://openalex.org/I4210097602
locations[2].source.host_organization_name	Multidisciplinary Digital Publishing Institute (Switzerland)
locations[2].source.host_organization_lineage	https://openalex.org/I4210097602
locations[2].license	cc-by
locations[2].pdf_url
locations[2].version	submittedVersion
locations[2].raw_type	Text
locations[2].license_id	https://openalex.org/licenses/cc-by
locations[2].is_accepted	False
locations[2].is_published	False
locations[2].raw_source_name	Metals; Volume 12; Issue 10; Pages: 1607
locations[2].landing_page_url	https://dx.doi.org/10.3390/met12101607
indexed_in	crossref, doaj
authorships[0].author.id	https://openalex.org/A5063537631
authorships[0].author.orcid	https://orcid.org/0000-0002-3004-8991
authorships[0].author.display_name	Mengmeng Yang
authorships[0].countries	CN
authorships[0].affiliations[0].institution_ids	https://openalex.org/I148128674
authorships[0].affiliations[0].raw_affiliation_string	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
authorships[0].institutions[0].id	https://openalex.org/I148128674
authorships[0].institutions[0].ror	https://ror.org/00ay9v204
authorships[0].institutions[0].type	education
authorships[0].institutions[0].lineage	https://openalex.org/I148128674
authorships[0].institutions[0].country_code	CN
authorships[0].institutions[0].display_name	University of Shanghai for Science and Technology
authorships[0].author_position	first
authorships[0].raw_author_name	Mengmeng Yang
authorships[0].is_corresponding	False
authorships[0].raw_affiliation_strings	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
authorships[1].author.id	https://openalex.org/A5033850255
authorships[1].author.orcid	https://orcid.org/0000-0002-7752-2451
authorships[1].author.display_name	Jianan Hu
authorships[1].countries	CN
authorships[1].affiliations[0].institution_ids	https://openalex.org/I148128674
authorships[1].affiliations[0].raw_affiliation_string	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
authorships[1].institutions[0].id	https://openalex.org/I148128674
authorships[1].institutions[0].ror	https://ror.org/00ay9v204
authorships[1].institutions[0].type	education
authorships[1].institutions[0].lineage	https://openalex.org/I148128674
authorships[1].institutions[0].country_code	CN
authorships[1].institutions[0].display_name	University of Shanghai for Science and Technology
authorships[1].author_position	middle
authorships[1].raw_author_name	Jianan Hu
authorships[1].is_corresponding	False
authorships[1].raw_affiliation_strings	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
authorships[2].author.id	https://openalex.org/A5101672943
authorships[2].author.orcid	https://orcid.org/0000-0003-0139-2598
authorships[2].author.display_name	Shuo Cao
authorships[2].countries	CN
authorships[2].affiliations[0].institution_ids	https://openalex.org/I19820366
authorships[2].affiliations[0].raw_affiliation_string	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[2].institutions[0].id	https://openalex.org/I19820366
authorships[2].institutions[0].ror	https://ror.org/034t30j35
authorships[2].institutions[0].type	government
authorships[2].institutions[0].lineage	https://openalex.org/I19820366
authorships[2].institutions[0].country_code	CN
authorships[2].institutions[0].display_name	Chinese Academy of Sciences
authorships[2].author_position	middle
authorships[2].raw_author_name	Shuo Cao
authorships[2].is_corresponding	False
authorships[2].raw_affiliation_strings	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[3].author.id	https://openalex.org/A5114859179
authorships[3].author.orcid	https://orcid.org/0000-0002-1500-2282
authorships[3].author.display_name	Guang Feng
authorships[3].countries	CN
authorships[3].affiliations[0].institution_ids	https://openalex.org/I3045169105
authorships[3].affiliations[0].raw_affiliation_string	Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Shenzhen 518055, China
authorships[3].institutions[0].id	https://openalex.org/I3045169105
authorships[3].institutions[0].ror	https://ror.org/049tv2d57
authorships[3].institutions[0].type	education
authorships[3].institutions[0].lineage	https://openalex.org/I3045169105
authorships[3].institutions[0].country_code	CN
authorships[3].institutions[0].display_name	Southern University of Science and Technology
authorships[3].author_position	middle
authorships[3].raw_author_name	Guang Feng
authorships[3].is_corresponding	False
authorships[3].raw_affiliation_strings	Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Shenzhen 518055, China
authorships[4].author.id	https://openalex.org/A5004200616
authorships[4].author.orcid	https://orcid.org/0000-0001-6657-4814
authorships[4].author.display_name	Yi Yang
authorships[4].countries	CN
authorships[4].affiliations[0].institution_ids	https://openalex.org/I148128674
authorships[4].affiliations[0].raw_affiliation_string	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
authorships[4].institutions[0].id	https://openalex.org/I148128674
authorships[4].institutions[0].ror	https://ror.org/00ay9v204
authorships[4].institutions[0].type	education
authorships[4].institutions[0].lineage	https://openalex.org/I148128674
authorships[4].institutions[0].country_code	CN
authorships[4].institutions[0].display_name	University of Shanghai for Science and Technology
authorships[4].author_position	middle
authorships[4].raw_author_name	Yi Yang
authorships[4].is_corresponding	False
authorships[4].raw_affiliation_strings	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
authorships[5].author.id	https://openalex.org/A5002283822
authorships[5].author.orcid	https://orcid.org/0000-0002-0080-627X
authorships[5].author.display_name	Renci Liu
authorships[5].countries	CN
authorships[5].affiliations[0].institution_ids	https://openalex.org/I19820366
authorships[5].affiliations[0].raw_affiliation_string	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[5].institutions[0].id	https://openalex.org/I19820366
authorships[5].institutions[0].ror	https://ror.org/034t30j35
authorships[5].institutions[0].type	government
authorships[5].institutions[0].lineage	https://openalex.org/I19820366
authorships[5].institutions[0].country_code	CN
authorships[5].institutions[0].display_name	Chinese Academy of Sciences
authorships[5].author_position	middle
authorships[5].raw_author_name	Renci Liu
authorships[5].is_corresponding	False
authorships[5].raw_affiliation_strings	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[6].author.id	https://openalex.org/A5100745583
authorships[6].author.orcid	https://orcid.org/0000-0002-6230-4806
authorships[6].author.display_name	Shujun Li
authorships[6].countries	CN
authorships[6].affiliations[0].institution_ids	https://openalex.org/I19820366
authorships[6].affiliations[0].raw_affiliation_string	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[6].institutions[0].id	https://openalex.org/I19820366
authorships[6].institutions[0].ror	https://ror.org/034t30j35
authorships[6].institutions[0].type	government
authorships[6].institutions[0].lineage	https://openalex.org/I19820366
authorships[6].institutions[0].country_code	CN
authorships[6].institutions[0].display_name	Chinese Academy of Sciences
authorships[6].author_position	middle
authorships[6].raw_author_name	Shujun Li
authorships[6].is_corresponding	False
authorships[6].raw_affiliation_strings	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[7].author.id	https://openalex.org/A5115580388
authorships[7].author.orcid	https://orcid.org/0000-0003-2209-1727
authorships[7].author.display_name	Fu Zhao
authorships[7].countries	CN
authorships[7].affiliations[0].institution_ids	https://openalex.org/I3045169105
authorships[7].affiliations[0].raw_affiliation_string	Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Shenzhen 518055, China
authorships[7].institutions[0].id	https://openalex.org/I3045169105
authorships[7].institutions[0].ror	https://ror.org/049tv2d57
authorships[7].institutions[0].type	education
authorships[7].institutions[0].lineage	https://openalex.org/I3045169105
authorships[7].institutions[0].country_code	CN
authorships[7].institutions[0].display_name	Southern University of Science and Technology
authorships[7].author_position	middle
authorships[7].raw_author_name	Fu Zhao
authorships[7].is_corresponding	False
authorships[7].raw_affiliation_strings	Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Shenzhen 518055, China
authorships[8].author.id	https://openalex.org/A5083005361
authorships[8].author.orcid	https://orcid.org/0000-0001-8885-1181
authorships[8].author.display_name	Aihan Feng
authorships[8].countries	CN
authorships[8].affiliations[0].institution_ids	https://openalex.org/I116953780
authorships[8].affiliations[0].raw_affiliation_string	School of Materials Science and Engineering, Tongji University, Shanghai 201804, China
authorships[8].institutions[0].id	https://openalex.org/I116953780
authorships[8].institutions[0].ror	https://ror.org/03rc6as71
authorships[8].institutions[0].type	education
authorships[8].institutions[0].lineage	https://openalex.org/I116953780
authorships[8].institutions[0].country_code	CN
authorships[8].institutions[0].display_name	Tongji University
authorships[8].author_position	middle
authorships[8].raw_author_name	Aihan Feng
authorships[8].is_corresponding	False
authorships[8].raw_affiliation_strings	School of Materials Science and Engineering, Tongji University, Shanghai 201804, China
authorships[9].author.id	https://openalex.org/A5018643667
authorships[9].author.orcid	https://orcid.org/0000-0002-0810-8847
authorships[9].author.display_name	Qing‐Miao Hu
authorships[9].countries	CN
authorships[9].affiliations[0].institution_ids	https://openalex.org/I19820366
authorships[9].affiliations[0].raw_affiliation_string	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[9].institutions[0].id	https://openalex.org/I19820366
authorships[9].institutions[0].ror	https://ror.org/034t30j35
authorships[9].institutions[0].type	government
authorships[9].institutions[0].lineage	https://openalex.org/I19820366
authorships[9].institutions[0].country_code	CN
authorships[9].institutions[0].display_name	Chinese Academy of Sciences
authorships[9].author_position	middle
authorships[9].raw_author_name	Qingmiao Hu
authorships[9].is_corresponding	False
authorships[9].raw_affiliation_strings	Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
authorships[10].author.id	https://openalex.org/A5020710693
authorships[10].author.orcid	https://orcid.org/0000-0002-9795-2168
authorships[10].author.display_name	Aijun Huang
authorships[10].countries	AU
authorships[10].affiliations[0].institution_ids	https://openalex.org/I56590836
authorships[10].affiliations[0].raw_affiliation_string	Monash Centre for Additive Manufacturing (MCAM), Monash University, Notting Hill, VIC 3168, Australia
authorships[10].institutions[0].id	https://openalex.org/I56590836
authorships[10].institutions[0].ror	https://ror.org/02bfwt286
authorships[10].institutions[0].type	education
authorships[10].institutions[0].lineage	https://openalex.org/I56590836
authorships[10].institutions[0].country_code	AU
authorships[10].institutions[0].display_name	Monash University
authorships[10].author_position	middle
authorships[10].raw_author_name	Aijun Huang
authorships[10].is_corresponding	False
authorships[10].raw_affiliation_strings	Monash Centre for Additive Manufacturing (MCAM), Monash University, Notting Hill, VIC 3168, Australia
authorships[11].author.id	https://openalex.org/A5100446223
authorships[11].author.orcid	https://orcid.org/0000-0003-4563-1132
authorships[11].author.display_name	Hao Wang
authorships[11].countries	CN
authorships[11].affiliations[0].institution_ids	https://openalex.org/I148128674
authorships[11].affiliations[0].raw_affiliation_string	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
authorships[11].institutions[0].id	https://openalex.org/I148128674
authorships[11].institutions[0].ror	https://ror.org/00ay9v204
authorships[11].institutions[0].type	education
authorships[11].institutions[0].lineage	https://openalex.org/I148128674
authorships[11].institutions[0].country_code	CN
authorships[11].institutions[0].display_name	University of Shanghai for Science and Technology
authorships[11].author_position	last
authorships[11].raw_author_name	Hao Wang
authorships[11].is_corresponding	True
authorships[11].raw_affiliation_strings	Interdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China
has_content.pdf	True
has_content.grobid_xml	True
is_paratext	False
open_access.is_oa	True
open_access.oa_url	https://www.mdpi.com/2075-4701/12/10/1607/pdf?version=1664346477
open_access.oa_status	gold
open_access.any_repository_has_fulltext	False
created_date	2022-09-29T00:00:00
display_name	Influence of Nonmetallic Interstitials on the Phase Transformation between FCC and HCP Titanium: A Density Functional Theory Study
has_fulltext	True
is_retracted	False
updated_date	2025-11-06T03:46:38.306776
primary_topic.id	https://openalex.org/T11442
primary_topic.field.id	https://openalex.org/fields/25
primary_topic.field.display_name	Materials Science
primary_topic.score	0.9998999834060669
primary_topic.domain.id	https://openalex.org/domains/3
primary_topic.domain.display_name	Physical Sciences
primary_topic.subfield.id	https://openalex.org/subfields/2505
primary_topic.subfield.display_name	Materials Chemistry
primary_topic.display_name	Titanium Alloys Microstructure and Properties
related_works	https://openalex.org/W1480048606, https://openalex.org/W2084910943, https://openalex.org/W2039459122, https://openalex.org/W4285229828, https://openalex.org/W2095200697, https://openalex.org/W2170522484, https://openalex.org/W2366042564, https://openalex.org/W1993506931, https://openalex.org/W2551840043, https://openalex.org/W2180499798
cited_by_count	5
counts_by_year[0].year	2025
counts_by_year[0].cited_by_count	3
counts_by_year[1].year	2024
counts_by_year[1].cited_by_count	2
locations_count	3
best_oa_location.id	doi:10.3390/met12101607
best_oa_location.is_oa	True
best_oa_location.source.id	https://openalex.org/S4210208383
best_oa_location.source.issn	2075-4701
best_oa_location.source.type	journal
best_oa_location.source.is_oa	True
best_oa_location.source.issn_l	2075-4701
best_oa_location.source.is_core	True
best_oa_location.source.is_in_doaj	True
best_oa_location.source.display_name	Metals
best_oa_location.source.host_organization	https://openalex.org/P4310310987
best_oa_location.source.host_organization_name	Multidisciplinary Digital Publishing Institute
best_oa_location.source.host_organization_lineage	https://openalex.org/P4310310987
best_oa_location.source.host_organization_lineage_names	Multidisciplinary Digital Publishing Institute
best_oa_location.license	cc-by
best_oa_location.pdf_url	https://www.mdpi.com/2075-4701/12/10/1607/pdf?version=1664346477
best_oa_location.version	publishedVersion
best_oa_location.raw_type	journal-article
best_oa_location.license_id	https://openalex.org/licenses/cc-by
best_oa_location.is_accepted	True
best_oa_location.is_published	True
best_oa_location.raw_source_name	Metals
best_oa_location.landing_page_url	https://doi.org/10.3390/met12101607
primary_location.id	doi:10.3390/met12101607
primary_location.is_oa	True
primary_location.source.id	https://openalex.org/S4210208383
primary_location.source.issn	2075-4701
primary_location.source.type	journal
primary_location.source.is_oa	True
primary_location.source.issn_l	2075-4701
primary_location.source.is_core	True
primary_location.source.is_in_doaj	True
primary_location.source.display_name	Metals
primary_location.source.host_organization	https://openalex.org/P4310310987
primary_location.source.host_organization_name	Multidisciplinary Digital Publishing Institute
primary_location.source.host_organization_lineage	https://openalex.org/P4310310987
primary_location.source.host_organization_lineage_names	Multidisciplinary Digital Publishing Institute
primary_location.license	cc-by
primary_location.pdf_url	https://www.mdpi.com/2075-4701/12/10/1607/pdf?version=1664346477
primary_location.version	publishedVersion
primary_location.raw_type	journal-article
primary_location.license_id	https://openalex.org/licenses/cc-by
primary_location.is_accepted	True
primary_location.is_published	True
primary_location.raw_source_name	Metals
primary_location.landing_page_url	https://doi.org/10.3390/met12101607
publication_date	2022-09-26
publication_year	2022
referenced_works	https://openalex.org/W2585253255, https://openalex.org/W3033306573, https://openalex.org/W3176334956, https://openalex.org/W1633362781, https://openalex.org/W2028067758, https://openalex.org/W2338789759, https://openalex.org/W2339883183, https://openalex.org/W2730393822, https://openalex.org/W2778219222, https://openalex.org/W2790330025, https://openalex.org/W2805245886, https://openalex.org/W2984630159, https://openalex.org/W2990157644, https://openalex.org/W3098561161, https://openalex.org/W6796759122, https://openalex.org/W3007674653, https://openalex.org/W3139685253, https://openalex.org/W2009691576, https://openalex.org/W2982126054, https://openalex.org/W3108109114, https://openalex.org/W3089073230, https://openalex.org/W3202414719, https://openalex.org/W3087105908, https://openalex.org/W2807141479, https://openalex.org/W2938349276, https://openalex.org/W2902197949, https://openalex.org/W6801614555, https://openalex.org/W2079105963, https://openalex.org/W3047230661, https://openalex.org/W2077150921, https://openalex.org/W1964746686, https://openalex.org/W3038025793, https://openalex.org/W1993749684, https://openalex.org/W2036113194, https://openalex.org/W3011081130, https://openalex.org/W2911485536, https://openalex.org/W1992985800, https://openalex.org/W3035237921, https://openalex.org/W3175147006, https://openalex.org/W2892294053, https://openalex.org/W3035888350, https://openalex.org/W2066479896, https://openalex.org/W2072642280, https://openalex.org/W6780494790, https://openalex.org/W2803958875, https://openalex.org/W1984781904, https://openalex.org/W2022085321, https://openalex.org/W1981338907, https://openalex.org/W2380677566, https://openalex.org/W2560444098, https://openalex.org/W2067164122, https://openalex.org/W2048579309, https://openalex.org/W3198422476, https://openalex.org/W3174276208, https://openalex.org/W3044480331
referenced_works_count	55
abstract_inverted_index.B	41, 70, 156
abstract_inverted_index.C	39, 68, 154
abstract_inverted_index.a	102
abstract_inverted_index.In	0, 28
abstract_inverted_index.N,	38, 67, 153
abstract_inverted_index.O,	37, 66, 152
abstract_inverted_index.in	9, 109
abstract_inverted_index.is	114
abstract_inverted_index.of	33, 45, 50, 65, 93, 120, 129, 168
abstract_inverted_index.on	42, 71
abstract_inverted_index.or	98
abstract_inverted_index.to	2
abstract_inverted_index.The	59, 126
abstract_inverted_index.and	6, 40, 69, 84, 133, 140, 147, 155
abstract_inverted_index.gap	79, 103
abstract_inverted_index.its	23
abstract_inverted_index.the	3, 12, 31, 43, 46, 55, 63, 72, 77, 81, 91, 107, 110, 117, 130, 138, 144, 148, 159, 166
abstract_inverted_index.was	16, 52, 135
abstract_inverted_index.Such	101
abstract_inverted_index.also	157
abstract_inverted_index.high	123
abstract_inverted_index.that	62
abstract_inverted_index.this	29
abstract_inverted_index.thus	89, 163
abstract_inverted_index.with	54, 106, 116
abstract_inverted_index.(FCC)	87
abstract_inverted_index.(HCP)	83
abstract_inverted_index.atoms	36
abstract_inverted_index.cubic	14, 48, 86
abstract_inverted_index.e.g.,	143
abstract_inverted_index.fault	161
abstract_inverted_index.phase	15, 49
abstract_inverted_index.sites	75
abstract_inverted_index.under	19, 95, 122
abstract_inverted_index.which	113
abstract_inverted_index.work,	30
abstract_inverted_index.FCC-Ti	94, 121, 134
abstract_inverted_index.HCP-Ti	132
abstract_inverted_index.common	4
abstract_inverted_index.effect	32
abstract_inverted_index.energy	78
abstract_inverted_index.phases	8
abstract_inverted_index.reduce	158
abstract_inverted_index.stable	5
abstract_inverted_index.FCC-Ti.	169
abstract_inverted_index.against	137
abstract_inverted_index.alloys,	11
abstract_inverted_index.between	80
abstract_inverted_index.density	56
abstract_inverted_index.energy,	162
abstract_inverted_index.further	104, 164
abstract_inverted_index.largely	26
abstract_inverted_index.lattice	145
abstract_inverted_index.phases,	88
abstract_inverted_index.plastic	99
abstract_inverted_index.reduces	76
abstract_inverted_index.remains	25
abstract_inverted_index.results	60
abstract_inverted_index.studied	136
abstract_inverted_index.theory.	58
abstract_inverted_index.various	20
abstract_inverted_index.addition	1
abstract_inverted_index.bonding.	150
abstract_inverted_index.chemical	141
abstract_inverted_index.content,	112
abstract_inverted_index.content.	125
abstract_inverted_index.elevated	96
abstract_inverted_index.however,	22
abstract_inverted_index.increase	108
abstract_inverted_index.indicate	61
abstract_inverted_index.observed	18
abstract_inverted_index.origins,	142
abstract_inverted_index.physical	139
abstract_inverted_index.recently	17
abstract_inverted_index.relative	127
abstract_inverted_index.stacking	160
abstract_inverted_index.titanium	10, 51
abstract_inverted_index.assisting	90
abstract_inverted_index.decreases	105
abstract_inverted_index.formation	24, 44, 92, 167
abstract_inverted_index.occupancy	64
abstract_inverted_index.stability	128
abstract_inverted_index.benefiting	165
abstract_inverted_index.consistent	115
abstract_inverted_index.distortion	146
abstract_inverted_index.electronic	149
abstract_inverted_index.functional	57
abstract_inverted_index.metastable	7
abstract_inverted_index.octahedral	73
abstract_inverted_index.conditions;	21
abstract_inverted_index.nonmetallic	34
abstract_inverted_index.observation	119
abstract_inverted_index.temperature	97
abstract_inverted_index.Interstitial	151
abstract_inverted_index.deformation.	100
abstract_inverted_index.experimental	118
abstract_inverted_index.interstitial	35, 74, 111, 124
abstract_inverted_index.investigated	53
abstract_inverted_index.unclarified.	27
abstract_inverted_index.face-centered	13, 47, 85
abstract_inverted_index.hexagonal-close-packed	82
abstract_inverted_index.interstitial-containing	131
cited_by_percentile_year.max	97
cited_by_percentile_year.min	94
corresponding_author_ids	https://openalex.org/A5100446223
countries_distinct_count	2
institutions_distinct_count	12
corresponding_institution_ids	https://openalex.org/I148128674
sustainable_development_goals[0].id	https://metadata.un.org/sdg/7
sustainable_development_goals[0].score	0.8700000047683716
sustainable_development_goals[0].display_name	Affordable and clean energy
citation_normalized_percentile.value	0.53378557
citation_normalized_percentile.is_in_top_1_percent	False
citation_normalized_percentile.is_in_top_10_percent	False