FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4230257875> ?p ?o ?g. }

• W4230257875 endingPage "146301" @default.
• W4230257875 startingPage "146301" @default.
• W4230257875 abstract "Despite its simple molecular structure, water is still a mystery to scientists. For the atomic and molecular vibrational modes of ice, as is well known, there are two kinds of vibrations: intra-molecular O—H stretching vibration and H—O—H bending vibration within the molecules and three kinds of molecular spatial rotations. However, thirty years ago, a high flux inelastic neutron scattering experiment showed that there are two distinct characteristic peaks in the far-infrared molecular translational vibration region of many ice phases. The origins of these peaks have not been determined till now. In this work, based on the CASTEP code, a first-principles density functional theory plane wave programme, the vibrational spectra as well as the vibrational normal modes of a series of ice phases are investigated. Two kinds of intrinsic hydrogen bond vibrational modes are first found in hydrogen-ordered ice Ic. Then it is found to be a general rule among ice family. Based on the ideal model, we prove that the two vibrational modes can be classified as four-bond vibration and two-bond vibration. There are many coupling modes in-between due to tetrahedral structure deformation under high pressure. Besides, there are also some optical vibrational modes with lower energy in the translational region, such as cluster vibrations and inter-plane vibrations. In Ice VII/VIII and XV/VI, each of which consists of two sublattices, there exist non-hydrogen bond vibrations. These molecular translational vibrations can explain all the far-infrared vibrational spectrum of ice phase, which makes up the last piece of the jigsaw puzzle for the molecular vibration theory of ice. The two vibrational modes do not exist in liquid water due to the collapse of the rigid tetrahedral structure. Thus, a window remains for ice resonance absorption with minimum energy loss in water. This theory is expected to be applicable to industrial deicing, food thawing, gas hydrate mining, and biomolecule frozen molding, etc." @default.
• W4230257875 created "2022-05-11" @default.
• W4230257875 creator A5004329621 @default.
• W4230257875 creator A5006148580 @default.
• W4230257875 creator A5034335736 @default.
• W4230257875 creator A5040468629 @default.
• W4230257875 creator A5051399915 @default.
• W4230257875 date "2021-01-01" @default.
• W4230257875 modified "2023-10-01" @default.
• W4230257875 title "Investigation of hydrogen bond vibrations of ice" @default.
• W4230257875 cites W1520168758 @default.
• W4230257875 cites W1523690457 @default.
• W4230257875 cites W1589195957 @default.
• W4230257875 cites W1647065816 @default.
• W4230257875 cites W1668534434 @default.
• W4230257875 cites W1965559477 @default.
• W4230257875 cites W1969200036 @default.
• W4230257875 cites W1970597603 @default.
• W4230257875 cites W1971647191 @default.
• W4230257875 cites W1974036074 @default.
• W4230257875 cites W1976648393 @default.
• W4230257875 cites W1979187842 @default.
• W4230257875 cites W1979987783 @default.
• W4230257875 cites W1981314098 @default.
• W4230257875 cites W1981602538 @default.
• W4230257875 cites W1982784128 @default.
• W4230257875 cites W1983660673 @default.
• W4230257875 cites W1984033264 @default.
• W4230257875 cites W1984962571 @default.
• W4230257875 cites W1985483197 @default.
• W4230257875 cites W1986902574 @default.
• W4230257875 cites W1987611395 @default.
• W4230257875 cites W1988474593 @default.
• W4230257875 cites W1990103649 @default.
• W4230257875 cites W1991149034 @default.
• W4230257875 cites W1992703455 @default.
• W4230257875 cites W1992885278 @default.
• W4230257875 cites W1993848414 @default.
• W4230257875 cites W1994216248 @default.
• W4230257875 cites W1997029998 @default.
• W4230257875 cites W1999233200 @default.
• W4230257875 cites W2002170311 @default.
• W4230257875 cites W2005448369 @default.
• W4230257875 cites W2006938054 @default.
• W4230257875 cites W2007539433 @default.
• W4230257875 cites W2009158197 @default.
• W4230257875 cites W2009220955 @default.
• W4230257875 cites W2010114565 @default.
• W4230257875 cites W2010232881 @default.
• W4230257875 cites W2012915189 @default.
• W4230257875 cites W2013085543 @default.
• W4230257875 cites W2014167247 @default.
• W4230257875 cites W2014563681 @default.
• W4230257875 cites W2017516235 @default.
• W4230257875 cites W2022850794 @default.
• W4230257875 cites W2023170532 @default.
• W4230257875 cites W2023456894 @default.
• W4230257875 cites W2025031134 @default.
• W4230257875 cites W2025833310 @default.
• W4230257875 cites W2027547776 @default.
• W4230257875 cites W2031336891 @default.
• W4230257875 cites W2034649958 @default.
• W4230257875 cites W2034696977 @default.
• W4230257875 cites W2035250039 @default.
• W4230257875 cites W2036180784 @default.
• W4230257875 cites W2037365263 @default.
• W4230257875 cites W2040034594 @default.
• W4230257875 cites W2043789645 @default.
• W4230257875 cites W2044066443 @default.
• W4230257875 cites W2044163075 @default.
• W4230257875 cites W2044493884 @default.
• W4230257875 cites W2044546645 @default.
• W4230257875 cites W2045000054 @default.
• W4230257875 cites W2046115263 @default.
• W4230257875 cites W2047710140 @default.
• W4230257875 cites W2049961063 @default.
• W4230257875 cites W2054498391 @default.
• W4230257875 cites W2055914612 @default.
• W4230257875 cites W2056517829 @default.
• W4230257875 cites W2057502845 @default.
• W4230257875 cites W2061620039 @default.
• W4230257875 cites W2062009957 @default.
• W4230257875 cites W2064199088 @default.
• W4230257875 cites W2064936743 @default.
• W4230257875 cites W2066017769 @default.
• W4230257875 cites W2066681162 @default.
• W4230257875 cites W2067056553 @default.
• W4230257875 cites W2070037170 @default.
• W4230257875 cites W2072796855 @default.
• W4230257875 cites W2073620618 @default.
• W4230257875 cites W2077408258 @default.
• W4230257875 cites W2077635401 @default.
• W4230257875 cites W2078478362 @default.
• W4230257875 cites W2079366281 @default.
• W4230257875 cites W2081535836 @default.
• W4230257875 cites W2081926166 @default.
• W4230257875 cites W2085555491 @default.
• W4230257875 cites W2085618089 @default.

• next