4 papers
dpti: An Automated Thermodynamic Integration Workflow for Phase Diagram Calculations with Machine Learning Interatomic Potentials
Fengbo Yuan, Xin Zhong, Donghao Zheng +4
Thermodynamic integration (TI) is a widely used approach for computing free energies and phase diagrams. However, TI calculations driven by machine learning interatomic potentials…
Ab initio electronic conductivity of Fe-bearing post-perovskite
Yihang Peng, Yupei Zhang, Shuai Zhang +5
The electrical conductivity of high-pressure silicates profoundly influences the interior dynamics of rocky planets. Employing the Kubo-Greenwood formalism, we perform ab initio ca…
Sub-Neptune Memories I: Implications of Inefficient Mantle Cooling and Silicate Rain
Roberto Tejada Arevalo, Akash Gupta, Adam Burrows +3
We explore the evolution of sub-Neptune (radii between 1.5 and 4 R) exoplanet interior structures using our upgraded evolution code, \texttt{APPLE}, which self-consi…
Induction Heating in Super-Earths: A Thermochemical Perspective
Yihang Peng, Kristina Kislyakova, Donghao Zheng +2
Electromagnetic induction heating has recently been proposed as an important internal heat source in the mantles of rocky exoplanets. However, its dependence on planetary interior…