A simple thermodynamic model for the hydrogen phase diagram
arXiv:1703.01165 · doi:10.1103/PhysRevB.95.094107
Abstract
We describe a classical thermodynamic model that reproduces the main features of the solid hydrogen phase diagram. In particular, we show how the general structure types that are found by electronic structure calculations and the quantum nature of the protons can also be understood from a classical viewpoint. The model provides a picture not only of crystal structure, but also for the anomalous melting curve and insights into isotope effects, liquid metallisation and InfraRed activity. The existence of a classical picture for this most quantum of condensed matter systems provides a surprising extension of the correspondence principle of quantum mechanics, in particular the equivalent effects of classical and quantum uncertainty.
arXiv commentFinal author version
References in corpus (24)
- Observation of the Wigner-Huntington Transition to Solid Metallic Hydrogen
- A superconductor to superfluid phase transition in liquid metallic hydrogen
- A quantum fluid of metallic hydrogen suggested by first-principles calculations
- Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress
- Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure
- Density functional theory study of phase IV of solid hydrogen
- Dissociation of high-pressure solid molecular hydrogen: Quantum Monte Carlo and anharmonic vibrational study
- Quantum and Classical Orientational Ordering in Solid Hydrogen
- Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures
- Benchmark of Exchange-Correlation Functionals for High Pressure Hydrogen using Quantum Monte Carlo
- Quasi-molecular and atomic phases of dense solid hydrogen
- Quantum simulation of low-temperature metallic liquid hydrogen
- Towards a Predictive First-Principles Description of Solid Molecular Hydrogen with Density-Functional Theory
- Fate of density functional theory in high-pressure solid hydrogen
- Room-Temperature Structures of Solid Hydrogen at High Pressures
- Hexagonal structure of phase III of solid hydrogen
- Quantum Monte Carlo Study of High Pressure Solid Molecular Hydrogen
- High-pressure behavior of dense hydrogen up to 3.5 TPa from density functional theory calculations
- Low temperature phase diagram of hydrogen at pressures up to 380 GPa. A possible metallic phase at 360 GPa and 200 K
- New Phases and Dissociation-Recombination of Hydrogen Deuteride to 3.4 Megabar
- Lattice stability and high pressure melting mechanism of dense hydrogen up to 1.5 TPa
- Theory of high pressure hydrogen, made simple
- Appraisal of the realistic accuracy of Molecular dynamics of high pressure hydrogen
- High Temperature Raman analysis of Hydrogen Phase IV from Molecular Dynamics
Cited by in corpus (12)
- A Perspective on Conventional High-Temperature Superconductors at High Pressure: Methods and Materials
- Evidence for supercritical behavior of high-pressure liquid hydrogen
- Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen
- The role of van der Waals and exchange interactions in high-pressure solid hydrogen
- Infrared Peak-Splitting from phonon localization in Solid Hydrogen
- Understanding high pressure hydrogen with a hierarchical machine-learned potential
- Structures of solid hydrogen at 300K
- Isotope quantum effects in the metallization transition in liquid hydrogen
- Quadrupole Arrangements and the Ground State of Solid Hydrogen
- Two state model for critical points and the negative slope of the melting-curve
- The Icosahedral (H Supermolecule
- Organic compounds in metallic hydrogen