Relaxation effects in low density amorphous ice: Two distinct structural states observed by neutron diffraction

被引：62

作者：

Winkel, K. ^{[1
]}

Bowron, D. T. ^{[2
]}

Loerting, T. ^{[3
]}

Mayer, E. ^{[1
]}

Finney, J. L. ^{[4
]}

机构：

[1] Univ Innsbruck, Inst Gen Inorgan & Theoret Chem, A-6020 Innsbruck, Austria

[2] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England

[3] Univ Innsbruck, Inst Phys Chem, A-6020 Innsbruck, Austria

[4] UCL, Dept Phys & Astron, London WC1E 6BT, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 20期

基金：

奥地利科学基金会;

关键词：

amorphous state; deuterium compounds; hydrogen bonds; ice; neutron diffraction; TRANSITION; LIQUID; FORMS; WATER;

D O I：

10.1063/1.3139007

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Neutron diffraction with H/D isotopic substitution is used to investigate the structure of low density amorphous ice produced from (1) high density amorphous ice by isobaric warming and (2) very high density amorphous ice by isothermal decompression. Differences are found in the scattering patterns of the two low density amorphous ices that correlate with structural perturbations on intermediate length scales in the hydrogen bonded water network. Atomistic modeling suggests that the structural states of the two samples may relate to a competition between short range and intermediate range order and disorder. This structural difference in two low density amorphous (LDA) ices is also evident when comparing their compression behavior. In terms of the energy landscape formalism this finding implies that we have produced and characterized the structural difference of two different basins within the LDA-megabasin corresponding to identical macroscopic densities.

引用

页数：4

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