X-ray Scattering and O-O Pair-Distribution Functions of Amorphous Ices

被引：49

作者：

Mariedahl, Daniel ^{[1
]}

Perakis, Fivos ^{[1
]}

Spah, Alexander ^{[1
]}

Pathak, Harshad ^{[1
]}

Kim, Kyung Hwan ^{[1
]}

Camisasca, Gaia ^{[1
]}

Schlesinger, Daniel ^{[2
,3
]}

Benmore, Chris ^{[4
]}

Pettersson, Lars Gunnar Moody ^{[1
]}

Nilsson, Anders ^{[1
]}

Arnann-Winkel, Katrin ^{[1
]}

机构：

[1] Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden

[2] Stockholm Univ, Dept Environm Sci & Analyt Chem ACES, SE-11418 Stockholm, Sweden

[3] Stockholm Univ, Bolin Ctr Climate Res, SE-11418 Stockholm, Sweden

[4] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2018年 / 122卷 / 30期

基金：

欧洲研究理事会; 瑞典研究理事会;

关键词：

PRESSURE-INDUCED AMORPHIZATION; HYPERQUENCHED GLASSY WATER; HIGH-DENSITY; LIQUID WATER; 1ST-ORDER TRANSITION; NEUTRON-SCATTERING; XII; DIFFRACTION; DYNAMICS; PHASES;

D O I：

10.1021/acs.jpcb.8b04823

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：

The structure factor and oxygen-oxygen pair distribution functions of amorphous ices at liquid nitrogen temperature (T = 77 K) have been derived from wide-angle X-ray scattering (WAXS) up to interatomic distances of r = 23 angstrom, where local structure differences between the amorphous ices can be seen for the entire range. The distances to the first coordination shell for low-, high-, and very-high-density amorphous ice (LDA, HDA, VHDA) were determined to be 2.75, 2.78, and 2.80 angstrom, respectively, with high accuracy due to measurements up to a large momentum transfer of 23 angstrom(-1). Similarities in pair-distribution functions between LDA and supercooled water at 254.1 K, HDA and liquid water at 365.9 K, and VHDA and high-pressure liquid water were found up to around 8 angstrom, but beyond that at longer distances, the similarities were lost. In addition, the structure of the high-density amorphous ices was compared to high-pressure crystalline ices IV, IX, and XII, and conclusions were drawn about the local ordering.

引用

页码：7616 / 7624

页数：9

共 65 条

[1] X-ray and Neutron Scattering of Water [J].