FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2111627504> ?p ?o ?g. }

• W2111627504 endingPage "288" @default.
• W2111627504 startingPage "277" @default.
• W2111627504 abstract "Abstract The benefit of massively parallel supercomputers for technologically relevant applications in the field of materials science is demonstrated at the example of first‐principles total energy calculations of magnetic binary transition metal nanoparticles containing up to 1415 3d and 5d transition metal atoms. The simulations, which take into account structural optimizations without symmetry constraints, reveal the size‐dependent evolution of the energetic order of single crystalline and multiply twinned Fe‐Pt nanoparticles up to 4 nm in diameter, which are discussed as promising building blocks for future ultra‐high density data recording media. Although at small diameters, multiply twinned morphologies are preferred, we can show that an energetic crossover to a single crystalline, ordered arrangement can be expected at diameters around four nanometers. The comparison with Co‐Pt indicates that the contributions of the interfaces in multiply twinned structures are of similar importance as the surface and cannot be neglected especially for small particle sizes. The results imply that for Co‐Pt particles segregation of Pt to the surface and the formation of a Pt‐depleted subsurface layer is also dominant for nanometer‐sized single crystalline particles and may help to stabilize particles with partial L1 0 order, whereas for Fe‐Pt multiple twinning is the most important equilibrium mechanism for small particle sizes. Hybrid combinations of the most favorable ordering motifs, that is, L1 0 ‐type ordering in the particle core in combination with segregation in the outer shells, may thus lead to highly stable morphologies, which could dominate the growth process. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012" @default.
• W2111627504 created "2016-06-24" @default.
• W2111627504 creator A5043659159 @default.
• W2111627504 creator A5069719946 @default.
• W2111627504 date "2011-10-14" @default.
• W2111627504 modified "2023-09-29" @default.
• W2111627504 title "Competition between ordering, twinning, and segregation in binary magnetic 3d-5d nanoparticles: A supercomputing perspective" @default.
• W2111627504 cites W1484964302 @default.
• W2111627504 cites W1493516104 @default.
• W2111627504 cites W1523260110 @default.
• W2111627504 cites W1546975893 @default.
• W2111627504 cites W1563154033 @default.
• W2111627504 cites W1641472984 @default.
• W2111627504 cites W1973105748 @default.
• W2111627504 cites W1973892741 @default.
• W2111627504 cites W1976761365 @default.
• W2111627504 cites W1978207558 @default.
• W2111627504 cites W1979544533 @default.
• W2111627504 cites W1979813962 @default.
• W2111627504 cites W1981079762 @default.
• W2111627504 cites W1982330859 @default.
• W2111627504 cites W1985960344 @default.
• W2111627504 cites W1986928683 @default.
• W2111627504 cites W1987278656 @default.
• W2111627504 cites W1991114008 @default.
• W2111627504 cites W1992480777 @default.
• W2111627504 cites W1993937051 @default.
• W2111627504 cites W1994242121 @default.
• W2111627504 cites W1994540310 @default.
• W2111627504 cites W1997047034 @default.
• W2111627504 cites W1998539313 @default.
• W2111627504 cites W2000642932 @default.
• W2111627504 cites W2001193112 @default.
• W2111627504 cites W2010511318 @default.
• W2111627504 cites W2016355541 @default.
• W2111627504 cites W2019801150 @default.
• W2111627504 cites W2022166844 @default.
• W2111627504 cites W2022956627 @default.
• W2111627504 cites W2028328706 @default.
• W2111627504 cites W2029509567 @default.
• W2111627504 cites W2038336371 @default.
• W2111627504 cites W2038533471 @default.
• W2111627504 cites W2041730019 @default.
• W2111627504 cites W2042436753 @default.
• W2111627504 cites W2048529739 @default.
• W2111627504 cites W2049079467 @default.
• W2111627504 cites W2050461903 @default.
• W2111627504 cites W2052602572 @default.
• W2111627504 cites W2053890611 @default.
• W2111627504 cites W2055028353 @default.
• W2111627504 cites W2056056881 @default.
• W2111627504 cites W2058519225 @default.
• W2111627504 cites W2058890835 @default.
• W2111627504 cites W2067270851 @default.
• W2111627504 cites W2067700066 @default.
• W2111627504 cites W2072531580 @default.
• W2111627504 cites W2073121529 @default.
• W2111627504 cites W2073773252 @default.
• W2111627504 cites W2075339200 @default.
• W2111627504 cites W2075748426 @default.
• W2111627504 cites W2078047375 @default.
• W2111627504 cites W2078463518 @default.
• W2111627504 cites W2080102439 @default.
• W2111627504 cites W2080322311 @default.
• W2111627504 cites W2081439686 @default.
• W2111627504 cites W2082489239 @default.
• W2111627504 cites W2083222334 @default.
• W2111627504 cites W2086661524 @default.
• W2111627504 cites W2087888281 @default.
• W2111627504 cites W2089080825 @default.
• W2111627504 cites W2095098315 @default.
• W2111627504 cites W2098669032 @default.
• W2111627504 cites W2121048158 @default.
• W2111627504 cites W2141704677 @default.
• W2111627504 cites W2145445828 @default.
• W2111627504 cites W2147852538 @default.
• W2111627504 cites W2149937249 @default.
• W2111627504 cites W2161841725 @default.
• W2111627504 cites W2162100547 @default.
• W2111627504 cites W2168272544 @default.
• W2111627504 cites W2266482538 @default.
• W2111627504 cites W2322461975 @default.
• W2111627504 cites W2334343184 @default.
• W2111627504 cites W3102173084 @default.
• W2111627504 cites W615164068 @default.
• W2111627504 cites W2002672250 @default.
• W2111627504 doi "https://doi.org/10.1002/qua.23254" @default.
• W2111627504 hasPublicationYear "2011" @default.
• W2111627504 type Work @default.
• W2111627504 sameAs 2111627504 @default.
• W2111627504 citedByCount "17" @default.
• W2111627504 countsByYear W21116275042012 @default.
• W2111627504 countsByYear W21116275042013 @default.
• W2111627504 countsByYear W21116275042014 @default.
• W2111627504 countsByYear W21116275042015 @default.
• W2111627504 countsByYear W21116275042016 @default.
• W2111627504 countsByYear W21116275042017 @default.
• W2111627504 countsByYear W21116275042021 @default.

• next