scholarly journals Communication: The effect of dispersion corrections on the melting temperature of liquid water

2011 ◽  
Vol 134 (12) ◽  
pp. 121105 ◽  
Author(s):  
Soohaeng Yoo ◽  
Sotiris S. Xantheas
Keyword(s):  
Melting Temperature ◽  
Liquid Water

The Melting Temperature of Liquid Water with the Effective Fragment Potential

2015 ◽  
Vol 6 (18) ◽  
pp. 3555-3559 ◽  
Author(s):  
Kurt R. Brorsen ◽  
Soohaeng Yoo Willow ◽  
Sotiris S. Xantheas ◽  
Mark S. Gordon
Keyword(s):  
Melting Temperature ◽  
Liquid Water ◽  
Effective Fragment Potential

scholarly journals Melting temperature changes during slip across subglacial cavities drive basal mass exchange

2021 ◽  
pp. 1-7
Author(s):  
Alan W. Rempel ◽  
Colin R. Meyer ◽  
Kiya L. Riverman
Keyword(s):  
Normal Stress ◽  
Melting Temperature ◽  
Formation Mechanism ◽  
Mass Exchange ◽  
Liquid Water ◽  
Early Recognition ◽  
Temperature Changes ◽  
Basal Ice ◽  
Bed Materials ◽  
Subglacial Drainage

Abstract The importance of glacier sliding has motivated a rich literature describing the thermomechanical interactions between ice, liquid water and bed materials. Early recognition of the gradient in melting temperature across small bed obstacles led to focused studies of regelation. An appreciation for the limits on ice deformation rates downstream of larger obstacles highlighted a role for cavitation, which has subsequently gained prominence in descriptions of subglacial drainage. Here, we show that the changes in melting temperature that accompany changes in normal stress along a sliding ice interface near cavities and other macroscopic drainage elements cause appreciable supercooling and basal mass exchange. This provides the basis of a novel formation mechanism for widely observed laminated debris-rich basal ice layers.

scholarly journals Melting temperature changes during slip across subglacial cavities drive basal mass exchange

2021 ◽  
Author(s):  
Alan Rempel ◽  
Colin Meyer ◽  
Kiya Riverman
Keyword(s):  
Normal Stress ◽  
Melting Temperature ◽  
Formation Mechanism ◽  
Mass Exchange ◽  
Liquid Water ◽  
Early Recognition ◽  
Temperature Changes ◽  
Basal Ice ◽  
Bed Materials ◽  
Subglacial Drainage

The importance of glacier sliding has motivated a rich literature describing the thermomechanical interactions between ice, liquid water, and bed materials. Early recognition of the gradient in melting temperature across small bed obstacles led to focussed studies of regelation. An appreciation for the limits on ice deformation rates downstream of larger obstacles highlighted a role for cavitation, which has subsequently gained prominence in descriptions of subglacial drainage. Here, we show that the changes in melting temperature that accompany changes in normal stress along a sliding ice interface near cavities and other macroscopic drainage elements cause appreciable supercooling and basal mass exchange. This provides the basis of a novel formation mechanism for widely observed laminated debris-rich basal ice layers.

Compliance with Amended General Chapter USPMelting Range or Temperature

2019 ◽  
Author(s):  
Samuele Giani ◽  
Naomi M. Towers
Keyword(s):  
Melting Temperature ◽  
Reference Standards ◽  
Melting Range ◽  
Primary Reference ◽  
General Chapter ◽  
Regulation Compliance

Laboratories measuring melting temperature according to USP<741> Melting Range or Temperature, must comply with the amended calibration and adjustment requirements described in this regulation. Compliance is ensured by adjusting the instrument with secondary reference standards, traceable to USP, followed by verification of accuracy using USP primary reference standards.

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

2019 ◽  
Author(s):  
Asmus Ougaard Dohn ◽  
Elvar Jónsson ◽  
Hannes Jonsson
Keyword(s):  
Density Functional Theory ◽  
Liquid Water ◽  
Density Functional ◽  
Water Clusters ◽  
Theory Model ◽  
Coupling Scheme ◽  
Functional Theory ◽  
Total Polarization ◽  
Electrostatic Embedding ◽  
Polarizable Embedding

The manuscript analyzes the accuracy of our recently developed reciprocal polarizable embedding scheme, where a density functional theory model of the QM region is coupled to a dipole- and quadrupole polarizable water potential of the MM region. We present calculations of water clusters and liquid water where we analyze the energy, atomic forces and total polarization to demonstrate that artifacts in energy and polarization introduced by the QM/MM coupling are small and well-behaved. Furthermore, our methodology improves the consistency of the structure of optimized water hexamer geometries when compared to results obtained with models that neglect polarization. Additionally, the manuscript provides evidence that our coupling scheme eliminates artifacts in the structure of liquid water obtained with simpler electrostatic embedding models.

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