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• W2024585900 endingPage "164501" @default.
• W2024585900 startingPage "164501" @default.
• W2024585900 abstract "The typical ionic liquid, 1-ethyl-3-methyl imidazolium nitrate (EMIM-NO3), was examined by molecular dynamics simulations of an all-atomistic model to show the characteristics of networks of cages and/or bonds in the course of vitrification of this fragile glass-former. The system shows changes of dynamics at two characteristic temperatures, TB (or Tc) and the glass transition temperature Tg, found in other fragile glass forming liquids [K. L. Ngai and J. Habasaki, J. Chem. Phys. 141, 114502 (2014)]. On decreasing temperature, the number of neighboring cation-anion pairs, NB, within the first minimum of the pair correlation function, g(r)min, increases. On crossing TB (>Tg), the system volume and diffusion coefficient both show changes in temperature dependence, and as usual at Tg. The glass transition temperature, Tg, is characterized by the saturation of the total number of bonds, NB and the corresponding decrease in degree of freedom, F = [(3N - 6) - NB], of the system consisting of N particles. Similar behavior holds for the other ion-ion pairs. Therefore, as an alternative, the dynamics of glass transition can be interpreted conceptually by rigidity percolation. Before saturation occurring at Tg, the number of bonds shows a remarkable change at around TB. This temperature is associated with the disappearance of the loosely packed coordination polyhedra of anions around cation (or vice versa), related to the loss of geometrical freedom of the polyhedra, fg, of each coordination polyhedron, which can be defined by fg = [(3NV - 6) - Nb]. Here, 3Nv is the degree of freedom of NV vertices of the polyhedron, and Nb is number of fictive bonds. The packing of polyhedra is characterized by the soft percolation of cages, which allows further changes with decreasing temperature. The power spectrum of displacement of the central ion in the cage is found to be correlated with the fluctuation of Nb of cation-cation (or anion-anion) pairs in the polyhedron, although the effect from the coordination shells beyond the neighboring ions is not negligible." @default.
• W2024585900 created "2016-06-24" @default.
• W2024585900 creator A5050513971 @default.
• W2024585900 creator A5079889776 @default.
• W2024585900 date "2015-04-28" @default.
• W2024585900 modified "2023-09-26" @default.
• W2024585900 title "Rigidity and soft percolation in the glass transition of an atomistic model of ionic liquid, 1-ethyl-3-methyl imidazolium nitrate, from molecular dynamics simulations—Existence of infinite overlapping networks in a fragile ionic liquid" @default.
• W2024585900 cites W1045293632 @default.
• W2024585900 cites W1555502983 @default.
• W2024585900 cites W1636787203 @default.
• W2024585900 cites W1836860166 @default.
• W2024585900 cites W1965967488 @default.
• W2024585900 cites W1966315857 @default.
• W2024585900 cites W1968763663 @default.
• W2024585900 cites W1969324628 @default.
• W2024585900 cites W1970236719 @default.
• W2024585900 cites W1974195642 @default.
• W2024585900 cites W1974523854 @default.
• W2024585900 cites W1977169863 @default.
• W2024585900 cites W1978248642 @default.
• W2024585900 cites W1980861908 @default.
• W2024585900 cites W1984519826 @default.
• W2024585900 cites W1992345572 @default.
• W2024585900 cites W1992750415 @default.
• W2024585900 cites W1993213648 @default.
• W2024585900 cites W1995142716 @default.
• W2024585900 cites W1995285465 @default.
• W2024585900 cites W1996792541 @default.
• W2024585900 cites W2001149062 @default.
• W2024585900 cites W2001170483 @default.
• W2024585900 cites W2002112745 @default.
• W2024585900 cites W2006866541 @default.
• W2024585900 cites W2006951921 @default.
• W2024585900 cites W2007564708 @default.
• W2024585900 cites W2010130160 @default.
• W2024585900 cites W2025677438 @default.
• W2024585900 cites W2025935097 @default.
• W2024585900 cites W2026129950 @default.
• W2024585900 cites W2027003996 @default.
• W2024585900 cites W2029248079 @default.
• W2024585900 cites W2029359721 @default.
• W2024585900 cites W2030721314 @default.
• W2024585900 cites W2033750748 @default.
• W2024585900 cites W2039680825 @default.
• W2024585900 cites W2040649506 @default.
• W2024585900 cites W2041030396 @default.
• W2024585900 cites W2043738698 @default.
• W2024585900 cites W2045557804 @default.
• W2024585900 cites W2045701706 @default.
• W2024585900 cites W2046746980 @default.
• W2024585900 cites W2047512463 @default.
• W2024585900 cites W2048687203 @default.
• W2024585900 cites W2052323431 @default.
• W2024585900 cites W2054163472 @default.
• W2024585900 cites W2054787483 @default.
• W2024585900 cites W2059879754 @default.
• W2024585900 cites W2060438477 @default.
• W2024585900 cites W2061940970 @default.
• W2024585900 cites W2062225042 @default.
• W2024585900 cites W2062528445 @default.
• W2024585900 cites W2065002882 @default.
• W2024585900 cites W2065674696 @default.
• W2024585900 cites W2071785970 @default.
• W2024585900 cites W2075635888 @default.
• W2024585900 cites W2078222203 @default.
• W2024585900 cites W2079425662 @default.
• W2024585900 cites W2079696792 @default.
• W2024585900 cites W2083101233 @default.
• W2024585900 cites W2087481062 @default.
• W2024585900 cites W2089003923 @default.
• W2024585900 cites W2090909854 @default.
• W2024585900 cites W2091516891 @default.
• W2024585900 cites W2091870129 @default.
• W2024585900 cites W2093665656 @default.
• W2024585900 cites W2093733094 @default.
• W2024585900 cites W2093835595 @default.
• W2024585900 cites W2101865576 @default.
• W2024585900 cites W2102807769 @default.
• W2024585900 cites W2104292888 @default.
• W2024585900 cites W2114020139 @default.
• W2024585900 cites W2132087474 @default.
• W2024585900 cites W2135330260 @default.
• W2024585900 cites W2142225329 @default.
• W2024585900 cites W2145760403 @default.
• W2024585900 cites W2147993766 @default.
• W2024585900 cites W2158195839 @default.
• W2024585900 cites W2162524857 @default.
• W2024585900 cites W2166361350 @default.
• W2024585900 cites W2321162330 @default.
• W2024585900 cites W2500830580 @default.
• W2024585900 cites W3005104972 @default.
• W2024585900 cites W3099225940 @default.
• W2024585900 cites W4294183471 @default.
• W2024585900 doi "https://doi.org/10.1063/1.4918586" @default.
• W2024585900 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25933768" @default.
• W2024585900 hasPublicationYear "2015" @default.
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