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首页> 外文期刊>Physical review >Quantum effects and the local environment of water hydrogen: Deep inelastic neutron scattering study
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Quantum effects and the local environment of water hydrogen: Deep inelastic neutron scattering study

机译：水氢的量子效应和局部环境：深度非弹性中子散射研究

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摘要

A deep inelastic neutron scattering experiment, performed on D_2O in the temperature range 276-292 K provides insight on changes of the local environment of the water deuteron around the temperature of maximum density. We have measured the deuteron average kinetic energy and momentum distribution and found that their temperature dependence closely follows that shown by the density of the bulk liquid. These findings suggest an anomalous behavior of both kinetic energy and momentum distribution, similar to that observed for H_2O. However, in contrast to previous results on light water, no signatures of deuteron delocalization along the hydrogen bond have been observed for supercooled D_2O. This indicates a different relevance of quantum effects in the two liquids. Data such as that discussed here, are crucial to assess the validity of existing electrostatic-based models to describe changes of the water intermolecular potential upon hydrogen bonding.
机译：在276-292 K的温度范围内对D_2O进行的深层非弹性中子散射实验提供了关于氘核在最大密度温度附近局部环境变化的见解。我们已经测量了氘核的平均动能和动量分布，发现它们的温度依赖性紧密遵循大体积液体的密度所示。这些发现表明动能和动量分布都具有异常行为，类似于H_2O所观察到的行为。然而，与先前在轻水上的结果相反，对于过冷的D_2O，没有观察到氘核沿氢键的离域现象。这表明两种液体中量子效应的相关性不同。诸如此处讨论的数据对于评估现有的基于静电的模型来描述氢键后水分子间电势变化的有效性至关重要。

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  • 来源
    《Physical review》 |2012年第10期|p.104308.1-104308.5|共5页
  • 作者

    A. Giuliani; M. A. Ricci; F. Bruni; J. Mayers;

  • 作者单位

    Dipartimento di Fisica 'E. Amaldi,' Universita degli Studi di Roma Tre, Via della Vasca Navale 84, 00146 Roma, Italy;

    Dipartimento di Fisica 'E. Amaldi,' Universita degli Studi di Roma Tre, Via della Vasca Navale 84, 00146 Roma, Italy;

    Dipartimento di Fisica 'E. Amaldi,' Universita degli Studi di Roma Tre, Via della Vasca Navale 84, 00146 Roma, Italy;

    STFC, Rutherford Appleton Laboratory, ISIS facility, Didcot, Oxfordshire, OX II OQX, United Kingdom;

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  • 正文语种 eng
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  • 关键词

    neutron inelastic scattering;

    机译：中子非弹性散射;

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