Matches in SemOpenAlex for { <https://semopenalex.org/work/W3140366011> ?p ?o ?g. }
- W3140366011 endingPage "116860" @default.
- W3140366011 startingPage "116860" @default.
- W3140366011 abstract "Knowledge on structures and energetics of vacancy clusters is fundamental to understand defect evolution in metals. Yet there remain no reliable methods able to determine essential structural details or to provide accurate assessment of energetics for general vacancy clusters. Here, we performed systematic first-principles investigations to examine stable structures and energetics of vacancy clusters in bcc metals, explicitly demonstrated the stable structures can be precisely determined by minimizing their Wigner-Seitz area, and revealed a linear relationship between formation energy and Wigner-Seitz area of vacancy clusters. We further developed a new physics-based model to accurately predict stable structures and energetics for arbitrary-sized vacancy clusters. This model was well validated by first-principles calculations and recent vacancy cluster annealing experiments, and showed distinct advantages over the widely used spherical approximation. The present work offers mechanistic insights that crucial for understanding vacancy cluster formation and evolution, provides crucial benchmarks for assessing empirical interatomic potentials, and enables a critical step towards predictive control and prevention of vacancy cluster related damage processes in structural metals." @default.
- W3140366011 created "2021-04-13" @default.
- W3140366011 creator A5013654743 @default.
- W3140366011 creator A5059263382 @default.
- W3140366011 creator A5066354709 @default.
- W3140366011 creator A5071319079 @default.
- W3140366011 creator A5081444975 @default.
- W3140366011 date "2021-06-01" @default.
- W3140366011 modified "2023-09-30" @default.
- W3140366011 title "Accurate prediction of vacancy cluster structures and energetics in bcc transition metals" @default.
- W3140366011 cites W1968426044 @default.
- W3140366011 cites W1969668670 @default.
- W3140366011 cites W1970127494 @default.
- W3140366011 cites W1979159153 @default.
- W3140366011 cites W1981368803 @default.
- W3140366011 cites W1982033801 @default.
- W3140366011 cites W1983898519 @default.
- W3140366011 cites W1984241054 @default.
- W3140366011 cites W1992903854 @default.
- W3140366011 cites W1995874207 @default.
- W3140366011 cites W1996194105 @default.
- W3140366011 cites W1999248102 @default.
- W3140366011 cites W2010613349 @default.
- W3140366011 cites W2019465613 @default.
- W3140366011 cites W2024723884 @default.
- W3140366011 cites W2030976617 @default.
- W3140366011 cites W2032515509 @default.
- W3140366011 cites W2033086537 @default.
- W3140366011 cites W2034173330 @default.
- W3140366011 cites W2035935819 @default.
- W3140366011 cites W2036894140 @default.
- W3140366011 cites W2041197050 @default.
- W3140366011 cites W2041268291 @default.
- W3140366011 cites W2048371629 @default.
- W3140366011 cites W2054333124 @default.
- W3140366011 cites W2059745365 @default.
- W3140366011 cites W2060089615 @default.
- W3140366011 cites W2066883388 @default.
- W3140366011 cites W2069529017 @default.
- W3140366011 cites W2079105963 @default.
- W3140366011 cites W2088748123 @default.
- W3140366011 cites W2090162514 @default.
- W3140366011 cites W2095450859 @default.
- W3140366011 cites W2098966616 @default.
- W3140366011 cites W2113145149 @default.
- W3140366011 cites W2127369264 @default.
- W3140366011 cites W2230728100 @default.
- W3140366011 cites W2301539471 @default.
- W3140366011 cites W2313334261 @default.
- W3140366011 cites W2374172905 @default.
- W3140366011 cites W2464188898 @default.
- W3140366011 cites W2529932115 @default.
- W3140366011 cites W2605882441 @default.
- W3140366011 cites W2744538274 @default.
- W3140366011 cites W2750452407 @default.
- W3140366011 cites W2765536396 @default.
- W3140366011 cites W2771946725 @default.
- W3140366011 cites W2790887938 @default.
- W3140366011 cites W2791150457 @default.
- W3140366011 cites W2792910837 @default.
- W3140366011 cites W2904563391 @default.
- W3140366011 cites W2912502605 @default.
- W3140366011 cites W2918051844 @default.
- W3140366011 cites W2952196968 @default.
- W3140366011 cites W2956212292 @default.
- W3140366011 cites W2965674612 @default.
- W3140366011 cites W3008808573 @default.
- W3140366011 cites W3099887820 @default.
- W3140366011 cites W3196983977 @default.
- W3140366011 doi "https://doi.org/10.1016/j.actamat.2021.116860" @default.
- W3140366011 hasPublicationYear "2021" @default.
- W3140366011 type Work @default.
- W3140366011 sameAs 3140366011 @default.
- W3140366011 citedByCount "15" @default.
- W3140366011 countsByYear W31403660112022 @default.
- W3140366011 countsByYear W31403660112023 @default.
- W3140366011 crossrefType "journal-article" @default.
- W3140366011 hasAuthorship W3140366011A5013654743 @default.
- W3140366011 hasAuthorship W3140366011A5059263382 @default.
- W3140366011 hasAuthorship W3140366011A5066354709 @default.
- W3140366011 hasAuthorship W3140366011A5071319079 @default.
- W3140366011 hasAuthorship W3140366011A5081444975 @default.
- W3140366011 hasConcept C114221277 @default.
- W3140366011 hasConcept C121332964 @default.
- W3140366011 hasConcept C121864883 @default.
- W3140366011 hasConcept C147597530 @default.
- W3140366011 hasConcept C152365726 @default.
- W3140366011 hasConcept C159467904 @default.
- W3140366011 hasConcept C164866538 @default.
- W3140366011 hasConcept C185592680 @default.
- W3140366011 hasConcept C191897082 @default.
- W3140366011 hasConcept C192562407 @default.
- W3140366011 hasConcept C199360897 @default.
- W3140366011 hasConcept C26873012 @default.
- W3140366011 hasConcept C2777855556 @default.
- W3140366011 hasConcept C41008148 @default.
- W3140366011 hasConcept C97355855 @default.
- W3140366011 hasConcept C97514900 @default.