Decreasing the W-Cr solid solution decomposition rate: Theory, modelling and experimental verification
•Ab-initio modelling successfully employed to assess W-Cr single solid solution stability.•Alloying with tantalum significantly decreases solid solution decomposition rate.•Cr-rich phase of the Ta-containing alloy experiences a decrease of lattice parameter throughout the decomposition process and a...
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| Published in | Journal of nuclear materials Vol. 576; p. 154288 |
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| Main Authors | , , , , , , , |
| Format | Journal Article |
| Language | English |
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01.04.2023
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| Abstract | •Ab-initio modelling successfully employed to assess W-Cr single solid solution stability.•Alloying with tantalum significantly decreases solid solution decomposition rate.•Cr-rich phase of the Ta-containing alloy experiences a decrease of lattice parameter throughout the decomposition process and arrives to the equilibrium value at the end of the decomposition.
Tungsten-based alloys are essential materials in the nuclear fusion reactors’ development. Particularly, tungsten-chromium single solid solution is interesting for the combination of a good oxidation behaviour and lack of lower-melting-point phases. The W-Cr system has a miscibility gap though and the solid solution within the particular condition is inherently metastable/unstable and tends to decompose forming a Cr-rich phase. In this study, we have combined computer simulations and experimental work to find additional alloying elements to promote the stability of W-Cr solid solution. The results showed that alloying with Ta may result in lowering the stabilising temperature of the alloy, positively affecting the decomposition rate. Experiments performed on a W-Cr-Ta alloy showed prolonged solid solution lifetime when compared to W-Cr alloy. Formation of the third decomposed phase, enriched in Ta, was observed and changes in the chromium diffusion in the alloy were identified to be the governing factor for slowing down the decomposition. |
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| AbstractList | •Ab-initio modelling successfully employed to assess W-Cr single solid solution stability.•Alloying with tantalum significantly decreases solid solution decomposition rate.•Cr-rich phase of the Ta-containing alloy experiences a decrease of lattice parameter throughout the decomposition process and arrives to the equilibrium value at the end of the decomposition.
Tungsten-based alloys are essential materials in the nuclear fusion reactors’ development. Particularly, tungsten-chromium single solid solution is interesting for the combination of a good oxidation behaviour and lack of lower-melting-point phases. The W-Cr system has a miscibility gap though and the solid solution within the particular condition is inherently metastable/unstable and tends to decompose forming a Cr-rich phase. In this study, we have combined computer simulations and experimental work to find additional alloying elements to promote the stability of W-Cr solid solution. The results showed that alloying with Ta may result in lowering the stabilising temperature of the alloy, positively affecting the decomposition rate. Experiments performed on a W-Cr-Ta alloy showed prolonged solid solution lifetime when compared to W-Cr alloy. Formation of the third decomposed phase, enriched in Ta, was observed and changes in the chromium diffusion in the alloy were identified to be the governing factor for slowing down the decomposition. |
| ArticleNumber | 154288 |
| Author | Legut, Dominik Chráska, Tomáš Vilémová, Monika Lukáč, František Kozlík, Jiří Veverka, Jakub Vontorová, Jiřina Kądzielawa, Andrzej P. |
| Author_xml | – sequence: 1 givenname: Jakub surname: Veverka fullname: Veverka, Jakub email: veverka@ipp.cas.cz organization: The Czech Academy of Sciences, Institute of Plasma Physics, Czech Republic – sequence: 2 givenname: Monika surname: Vilémová fullname: Vilémová, Monika email: vilemova@ipp.cas.cz organization: The Czech Academy of Sciences, Institute of Plasma Physics, Czech Republic – sequence: 3 givenname: František surname: Lukáč fullname: Lukáč, František organization: The Czech Academy of Sciences, Institute of Plasma Physics, Czech Republic – sequence: 4 givenname: Andrzej P. orcidid: 0000-0003-0093-1967 surname: Kądzielawa fullname: Kądzielawa, Andrzej P. organization: IT4Innovations, VŠB - Technical University of Ostrava, 17. listopadu 2172/15, Ostrava-Poruba 708 00, Czech Republic – sequence: 5 givenname: Dominik surname: Legut fullname: Legut, Dominik organization: IT4Innovations, VŠB - Technical University of Ostrava, 17. listopadu 2172/15, Ostrava-Poruba 708 00, Czech Republic – sequence: 6 givenname: Jiřina orcidid: 0000-0001-9270-3608 surname: Vontorová fullname: Vontorová, Jiřina organization: VSB – Technical University of Ostrava, 17. listopadu 15, Ostrava-Poruba 708 00, Czech Republic – sequence: 7 givenname: Jiří orcidid: 0000-0001-5722-2243 surname: Kozlík fullname: Kozlík, Jiří organization: Department of Physics of Materials, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, Prague 121 16, Czech Republic – sequence: 8 givenname: Tomáš orcidid: 0000-0003-0415-3840 surname: Chráska fullname: Chráska, Tomáš organization: The Czech Academy of Sciences, Institute of Plasma Physics, Czech Republic |
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| Cites_doi | 10.1016/j.nme.2016.07.011 10.1016/j.jallcom.2018.04.318 10.1103/PhysRevB.33.4782 10.1007/BF02877593 10.1103/PhysRev.140.A1133 10.1007/s11669-008-9396-7 10.1016/j.ijrmhm.2018.01.018 10.1103/PhysRevLett.77.3865 10.1016/j.scriptamat.2015.07.021 10.1016/j.jallcom.2020.154305 10.1016/j.fusengdes.2018.01.012 10.1103/PhysRevLett.65.353 10.1016/j.jallcom.2012.05.040 10.3390/met8070488 10.1016/0001-6160(67)90352-5 10.1103/PhysRevB.54.11169 10.1016/j.nme.2016.06.002 10.1103/PhysRev.136.B864 10.1088/0031-8949/2007/T128/020 10.1007/BF02868555 10.1016/0001-6160(72)90024-7 10.1021/ac60002a006 10.1103/PhysRevB.81.174301 10.1016/j.matlet.2008.03.063 |
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| Keywords | Ab-initio modelling Decomposition Tungsten-chromium alloys Solid solution Stabilisation |
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Phys. doi: 10.1103/PhysRevB.81.174301 contributor: fullname: Togo – volume: 62 start-page: 3790 year: 2008 ident: 10.1016/j.jnucmat.2023.154288_bib0012 article-title: Enhanced thermal stability of amorphous aluminum alloys through microalloying publication-title: Mater. Lett. doi: 10.1016/j.matlet.2008.03.063 contributor: fullname: Wilson |
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| Snippet | •Ab-initio modelling successfully employed to assess W-Cr single solid solution stability.•Alloying with tantalum significantly decreases solid solution... |
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| SubjectTerms | Ab-initio modelling Decomposition Solid solution Stabilisation Tungsten-chromium alloys |
| Title | Decreasing the W-Cr solid solution decomposition rate: Theory, modelling and experimental verification |
| URI | https://dx.doi.org/10.1016/j.jnucmat.2023.154288 |
| Volume | 576 |
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