Matches in SemOpenAlex for { <https://semopenalex.org/work/W4327923842> ?p ?o ?g. }
- W4327923842 endingPage "108330" @default.
- W4327923842 startingPage "108330" @default.
- W4327923842 abstract "The insightful understanding of phase transition in rare earth elements under shock compression is significant to the future development of materials science. In this work, a new reliable Finnis-Sinclair interatomic potential for hexagonal close-packed (HCP) single crystal yttrium (Y) is developed and validated. The potential reproduces the phase transition sequence of HCP → Sm-type (samarium-type) → DHCP (double hexagonal-close-packed) → FCC (face-centered-cubic) of Y observed in high-pressure experiments. Further, large-scale NEMD simulations are conducted to study shock compression behaviors of Y. For the [10−10]HCP shock direction, the HCP → Sm-type phase transition occurs via an intermediate metastable BCC structure, which is accomplished by atomic shuffles and shear. Then, a pure-shear along the [10−10]Sm-type direction transforms the Sm-type to DHCP structure. Besides, we find FCC phase can be generated by shifting the atoms at two layers in opposite <10−10> directions on {0001} planes in the DHCP lattice. Combined with the transition state theory, we confirm these transition pathways follow the minimum energy path. For shock along the [0001]HCP and [−12−10]HCP directions, the HCP → FCC phase transition is mediated by the amorphization which subsequently annihilates and turns to recrystallize to be FCC lattice. The results suggest that the uniaxial compression strain along the [0001]HCP and [−12−10]HCP directions hinders the formation of Sm-type and DHCP phases. Our findings provide essential insights into the phase transition behavior of Y under shock loading." @default.
- W4327923842 created "2023-03-21" @default.
- W4327923842 creator A5001102337 @default.
- W4327923842 creator A5005375638 @default.
- W4327923842 creator A5011859684 @default.
- W4327923842 creator A5018503049 @default.
- W4327923842 creator A5030691366 @default.
- W4327923842 creator A5033033368 @default.
- W4327923842 creator A5040999012 @default.
- W4327923842 creator A5046761975 @default.
- W4327923842 creator A5064043226 @default.
- W4327923842 creator A5064262109 @default.
- W4327923842 date "2023-07-01" @default.
- W4327923842 modified "2023-09-25" @default.
- W4327923842 title "Phase transition in yttrium under shock compression by atomistic simulations" @default.
- W4327923842 cites W1659855413 @default.
- W4327923842 cites W1758642612 @default.
- W4327923842 cites W1966217051 @default.
- W4327923842 cites W1966459842 @default.
- W4327923842 cites W1969750796 @default.
- W4327923842 cites W1972758372 @default.
- W4327923842 cites W1985007913 @default.
- W4327923842 cites W1985091107 @default.
- W4327923842 cites W1995394731 @default.
- W4327923842 cites W2002529768 @default.
- W4327923842 cites W2006009797 @default.
- W4327923842 cites W2009804893 @default.
- W4327923842 cites W2014058169 @default.
- W4327923842 cites W2014733848 @default.
- W4327923842 cites W2016401739 @default.
- W4327923842 cites W2018935802 @default.
- W4327923842 cites W2019465613 @default.
- W4327923842 cites W2020822267 @default.
- W4327923842 cites W2022188585 @default.
- W4327923842 cites W2024060531 @default.
- W4327923842 cites W2027340944 @default.
- W4327923842 cites W2032514569 @default.
- W4327923842 cites W2032969394 @default.
- W4327923842 cites W2042443396 @default.
- W4327923842 cites W2044829451 @default.
- W4327923842 cites W2047968138 @default.
- W4327923842 cites W2048924846 @default.
- W4327923842 cites W2051522857 @default.
- W4327923842 cites W2057823613 @default.
- W4327923842 cites W2058352527 @default.
- W4327923842 cites W2058831125 @default.
- W4327923842 cites W2067014828 @default.
- W4327923842 cites W2070955025 @default.
- W4327923842 cites W2077636125 @default.
- W4327923842 cites W2080442000 @default.
- W4327923842 cites W2086007294 @default.
- W4327923842 cites W2089446171 @default.
- W4327923842 cites W2094462351 @default.
- W4327923842 cites W2105834100 @default.
- W4327923842 cites W2117868972 @default.
- W4327923842 cites W2137666713 @default.
- W4327923842 cites W2140916464 @default.
- W4327923842 cites W2154414847 @default.
- W4327923842 cites W2568079298 @default.
- W4327923842 cites W2583633219 @default.
- W4327923842 cites W2590519323 @default.
- W4327923842 cites W2601615055 @default.
- W4327923842 cites W2610263072 @default.
- W4327923842 cites W2796140861 @default.
- W4327923842 cites W2884532573 @default.
- W4327923842 cites W2901411400 @default.
- W4327923842 cites W2907838892 @default.
- W4327923842 cites W2923985213 @default.
- W4327923842 cites W2938349276 @default.
- W4327923842 cites W2963847221 @default.
- W4327923842 cites W2964110594 @default.
- W4327923842 cites W2993996879 @default.
- W4327923842 cites W2997918955 @default.
- W4327923842 cites W3011390981 @default.
- W4327923842 cites W3020502065 @default.
- W4327923842 cites W3041932186 @default.
- W4327923842 cites W3095793203 @default.
- W4327923842 cites W3103133276 @default.
- W4327923842 cites W4200113940 @default.
- W4327923842 cites W4200120464 @default.
- W4327923842 cites W4200381321 @default.
- W4327923842 cites W4220935261 @default.
- W4327923842 cites W4225373767 @default.
- W4327923842 cites W4280544436 @default.
- W4327923842 cites W4298007194 @default.
- W4327923842 cites W4306804370 @default.
- W4327923842 cites W4307128607 @default.
- W4327923842 cites W791921405 @default.
- W4327923842 doi "https://doi.org/10.1016/j.ijmecsci.2023.108330" @default.
- W4327923842 hasPublicationYear "2023" @default.
- W4327923842 type Work @default.
- W4327923842 citedByCount "1" @default.
- W4327923842 countsByYear W43279238422023 @default.
- W4327923842 crossrefType "journal-article" @default.
- W4327923842 hasAuthorship W4327923842A5001102337 @default.
- W4327923842 hasAuthorship W4327923842A5005375638 @default.
- W4327923842 hasAuthorship W4327923842A5011859684 @default.
- W4327923842 hasAuthorship W4327923842A5018503049 @default.