cubic ice 1hydrogen-bond network 1negative thermal expansion 1neutron diffraction 1nuclear quantum effects 1path-integral molecular dynamics 1
From the 1 of 3 linked papers with an AI index.
3 papers
cond-mat.mtrl-sci2026
Negative Thermal Expansion in Cubic Ice: A Collective Quantum Effect of the hydrogen-bond network
Loan Renaud, Tomasz Poreba, Richard Gaal +3
The paper investigates why cubic ice I₍c₎ contracts when heated, showing that its negative thermal expansion arises from collective quantum behavior of the hydrogen‑bond network, c…
cond-mat.mtrl-sci2025
Dual quantum locking: Dynamic coupling of hydrogen and water sublattices in hydrogen filled ice
Loan Renaud, Tomasz Poreba, Simone Di Cataldo +7
Hydrogen hydrates (HH) are a unique class of materials composed of hydrogen molecules confined within crystalline water frameworks. Among their multiple phases, the filled ice stru…
cond-mat.mtrl-sci2025
Discovery of a low-density filled-ice phase in nitrogen hydrate at high pressure
Selene Berni, Sophie Espert, Tomasz Poreba +7
We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction.…