We have located links that may give you full text access.
Thermal conductivity of ice polymorphs: a computational study.
Physical Chemistry Chemical Physics : PCCP 2018 April 26
Thermal transport in ice features an unusual response. In addition to its intrinsic scientific interest, an understanding of the mechanisms determining the thermal conductivity of ice might be relevant in climate modelling and planetary science. Accurate microscopic models can provide important molecular insight into these mechanisms. In this work, we quantify using molecular simulations and state of the art forcefields, the thermal conductivity of ice Ih, VI, VII and a plastic phase that has been proposed very recently at pressures in the GPa range. The TIP4P models used in this study underestimate significantly the thermal conductivity of ice Ih and ice VII, while they show good agreement with experimental measurements of ice VI. The discrepancies observed are examined by investigating the temperature dependence of the thermal conductivity. The simulations indicate that the models are too anharmonic and they potentially feature a higher structural disorder than the experimental systems. We suggest that at high pressures the simulated thermal conductivities can be rationalized in terms of the performance of the models in predicting the equation of state of ice. The thermal conductivity of the plastic phase is very similar to that of the coexisting ice VII. Since the water molecules in the plastic phase feature orientational disorder, these results indicate that the hydrogen bond network does not play a significant role in defining the thermal transport mechanisms of ice at high pressures.
Full text links
Trending Papers
A Personalized Approach to the Management of Congestion in Acute Heart Failure.Heart International 2023
Potential Mechanisms of the Protective Effects of the Cardiometabolic Drugs Type-2 Sodium-Glucose Transporter Inhibitors and Glucagon-like Peptide-1 Receptor Agonists in Heart Failure.International Journal of Molecular Sciences 2024 Februrary 21
The Effect of Albumin Administration in Critically Ill Patients: A Retrospective Single-Center Analysis.Critical Care Medicine 2024 Februrary 8
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app
All material on this website is protected by copyright, Copyright © 1994-2024 by WebMD LLC.
This website also contains material copyrighted by 3rd parties.
By using this service, you agree to our terms of use and privacy policy.
Your Privacy Choices
You can now claim free CME credits for this literature searchClaim now
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app