10 citations · 11 across the 6 of their papers we have counts for
6 papers
Quantifying the effects of nickel on Earth's inner-core nucleation
Jiahui Zhai, Liangrui Wei, Chen Gao +1
The formation of Earth's solid inner core marks a major transition in the thermal and chemical evolution of the deep Earth, yet its origin remains paradoxical, as initial nucleatio…
Alchemical thermodynamic integration for ab initio free-energy calculations in solutions
Liangrui Wei, Feng Zhang, Renata M. Wentzcovitch +2
We develop an alchemical thermodynamic integration scheme that couples ab initio force calculators on the fly during Monte Carlo and molecular dynamics simulations. The implementat…
Assessing foundational atomistic models for iron alloys under Earth's core conditions
Tianqi Wan, Liangrui Wei, Zepeng Wu +2
We assess the capability of recently developed foundational atomistic models (FAMs) to simulate iron alloys under the extreme pressures and temperatures of Earth's core. Static equ…
Radial gradient of superionic hydrogen in Earth's inner core
Zepeng Wu, Liangrui Wei, Chen Gao +3
Hydrogen is considered a key light element in Earth's core, yet the thermodynamics of its superionic phase and its distribution in the inner core remain unclear. Here, we compute a…
Incorporating Gibbs free energy into interatomic potential fitting
Liangrui Wei, Yang Sun
We develop a method to fit high-temperature Gibbs free energy data for the development of interatomic potentials for atomic systems. The approach is based on Hamiltonian thermodyna…
The Fe-Ni phase diagram and the Earth's inner core structure
Liangrui Wei, Kai-Ming Ho, Renata M. Wentzcovitch +1
The Fe-Ni alloy is believed to be the main component of Earth's core. Yet, a comprehensive understanding of phase equilibria near the melting point of this alloy under core conditi…