Characterization of the high-pressure and high-temperature phase diagram and equation of state of chromium.
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
25 Apr 2022
25 Apr 2022
Historique:
received:
22
12
2021
accepted:
01
04
2022
entrez:
26
4
2022
pubmed:
27
4
2022
medline:
27
4
2022
Statut:
epublish
Résumé
The high-pressure and high-temperature phase diagram of chromium has been investigated both experimentally (in situ), using a laser-heated diamond-anvil cell technique coupled with synchrotron powder X-ray diffraction, and theoretically, using ab initio density-functional theory simulations. In the pressure-temperature range covered experimentally (up to 90 GPa and 4500 K, respectively) only the solid body-centred-cubic and liquid phases of chromium have been observed. Experiments and computer calculations give melting curves in agreement with each other that can both be described by the Simon-Glatzel equation [Formula: see text]. In addition, a quasi-hydrostatic equation of state at ambient temperature has been experimentally characterized up to 131 GPa and compared with the present simulations. Both methods give very similar third-order Birch-Murnaghan equations of state with bulk moduli of 182-185 GPa and respective pressure derivatives of 4.74-5.15. According to the present calculations, the obtained melting curve and equation of state are valid up to at least 815 GPa, at which pressure the melting temperature is 9310 K. Finally, from the obtained results, it was possible to determine a thermal equation of state of chromium valid up to 65 GPa and 2100 K.
Identifiants
pubmed: 35468934
doi: 10.1038/s41598-022-10523-2
pii: 10.1038/s41598-022-10523-2
pmc: PMC9038929
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
6727Subventions
Organisme : Ministerio de Ciencia e Innovación
ID : PID2019-106383GB-C41
Organisme : European Regional Development Fund
ID : RED2018-102612-T
Organisme : Generalitat Valenciana
ID : Prometeo/2018/123 EFIMAT
Organisme : Juan de la Cierva Formacion
ID : FJC2018-036185-I
Informations de copyright
© 2022. The Author(s).
Références
Phys Rev B Condens Matter. 1988 Dec 15;38(18):12834-12836
pubmed: 9946251
Phys Rev Lett. 2005 Oct 14;95(16):167801
pubmed: 16241842
Nature. 2009 May 21;459(7245):405-9
pubmed: 19458718
Phys Rev Lett. 1996 Oct 28;77(18):3865-3868
pubmed: 10062328
Phys Rev Lett. 2010 Jun 25;104(25):255702
pubmed: 20867396
Science. 1965 Nov 26;150(3700):1164-5
pubmed: 17742595
Phys Rev Lett. 2010 Jun 25;104(25):255701
pubmed: 20867395
Proc Natl Acad Sci U S A. 2015 Sep 29;112(39):12042-5
pubmed: 26371317
Science. 2013 Apr 26;340(6131):464-6
pubmed: 23620049
Phys Rev B Condens Matter. 1994 Apr 1;49(14):9365-9371
pubmed: 10009734
Phys Rev B Condens Matter. 1989 Jul 15;40(3):1997-2000
pubmed: 9992071
Nat Commun. 2017 Mar 01;8:14562
pubmed: 28248309
Sci Rep. 2020 Apr 22;10(1):7092
pubmed: 32317744
Phys Rev Lett. 1985 Apr 22;54(16):1852-1855
pubmed: 10031157
J Chem Phys. 2007 May 21;126(19):194502
pubmed: 17523817
J Chem Phys. 2009 Mar 28;130(12):124509
pubmed: 19334853
Sci Rep. 2021 Jul 22;11(1):15025
pubmed: 34294781
Nat Commun. 2018 Sep 3;9(1):3563
pubmed: 30177697
Phys Rev Lett. 1993 Oct 4;71(14):2272-2275
pubmed: 10054631
J Synchrotron Radiat. 2018 Nov 1;25(Pt 6):1860-1868
pubmed: 30407199
Phys Rev B Condens Matter. 1990 Mar 15;41(8):5414-5416
pubmed: 9994411
Sci Rep. 2019 Sep 10;9(1):13034
pubmed: 31506567
J Phys Condens Matter. 2021 Sep 21;33(48):
pubmed: 34488208