Diamond formation from hydrocarbon mixtures in planets
arXiv:2207.02927 · doi:10.1038/s41467-023-36841-1
Abstract
Hydrocarbon mixtures are extremely abundant in the Universe, and diamond formation from them can play a crucial role in shaping the interior structure and evolution of planets. With first-principles accuracy, we first estimate the diamond nucleation rate in pure liquid carbon, and then reveal the nature of chemical bonding in hydrocarbons at extreme conditions. We finally establish the pressure-temperature phase boundary where diamond can form from hydrocarbon mixtures with different atomic fractions of carbon. Notably, we find a depletion zone at pressures above 200~GPa and temperatures below 3000~K-3500~K where diamond formation is thermodynamically favorable regardless of the carbon atomic fraction, due to a phase separation mechanism. The cooler condition of the interior of Neptune compared to Uranus means that the former is much more likely to contain the depletion zone. Our findings can help explain the dichotomy of the two ice giants manifested by the low luminosity of Uranus, and lead to a better understanding of (exo-)planetary formation and evolution.
References in corpus (26)
- PLUMED 2: New feathers for an old bird
- Accurate determination of crystal structures based on averaged local bond order parameters
- Growth Model Interpretation of Planet Size Distribution
- An Accurate and Transferable Machine Learning Potential for Carbon
- Evidence for supercritical behavior of high-pressure liquid hydrogen
- A multiphase equation of state for carbon addressing high pressures and temperatures
- Core crystallization and pile-up in the cooling sequence of evolving white dwarfs
- Uranus evolution models with simple thermal boundary layers
- Computing Gibbs free energy differences by interface pinning
- Planetary Ices and the Linear Mixing Approximation
- Computing the Absolute Gibbs Free Energy in Atomistic Simulations: Applications to Defects in Solids
- Giant Planets
- Quantum-mechanical exploration of the phase diagram of water
- Equation of state of fluid methane from first principles with machine learning potentials
- Evidence for a Dichotomy in the Interior Structures of Jupiter and Saturn from Helium Phase Separation
- Explaining the low luminosity of Uranus: A self-consistent thermal and structural evolution
- Diamond formation from hydrocarbon mixtures in planets
- The Interiors of Uranus and Neptune: Current Understanding and Open Questions
- Thermal evolution of Uranus and Neptune I: adiabatic models
- Local structure of liquid carbon controls diamond nucleation
- Ab Initio Simulations of Hot, Dense Methane During Shock Experiments
- Hydrocarbons under pressure: phase diagrams and surprising new compounds in the C-H system
- Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics
- Evolutionary construction of formation energy convex hull: Practical scheme and application to carbon-hydrogen binary system
- Computing chemical potentials of solutions from structure factors
- Methane Planets and their Mass-Radius Relation
Cited by in corpus (11)
- Electronic Density Response of Warm Dense Matter
- Diamond formation from hydrocarbon mixtures in planets
- Layer-by-layer phase transformation in TiO revealed by machine learning molecular dynamics simulations
- Full-scale ab initio simulations of laser-driven atomistic dynamics
- Stochastic and Mixed Density Functional Theory within the projector augmented wave formalism for the simulation of warm dense matter
- The Possibility of Hydrogen-Water Demixing in Uranus, Neptune, K2-18b and TOI-270d
- Optical and Transport Properties of Plasma Mixtures from Ab Initio Molecular Dynamics
- Crystal nucleation rates in one-component Yukawa systems
- Machine-Learned Bond-Order Potential for Exploring the Configuration Space of Carbon
- The Evolution and Internal Structure of Neptunes and Sub-Neptunes: The importance of thermal conductivity in non-convective regions
- Cyclic random graph models predicting giant molecules in hydrocarbon pyrolysis