23 citations · 38 across the 8 of their papers we have counts for
8 papers
A quiet quantum revolution in Earth's deep interior
Renata Wentzcovitch, Laura Cobden, Christine Houser +2
The Earth's lower mantle hosts a subtle but pervasive quantum phenomenon: the pressure-induced spin crossover of iron in its dominant minerals, bridgmanite and ferropericlase. In t…
Fe2+ partitioning in Al-free pyrolite: consequences for seismic velocities and heterogeneities
Jingyi Zhuang, Renata Wentzcovitch
Iron partitioning among the main lower mantle phases, bridgmanite (Bm) and ferropericlase (Fp), has non-monotonic behavior owing to the high-spin to low-spin crossover in ferrous i…
pgm: A Python package for free energy calculations within the phonon gas model
Hongjin Wang, Jingyi Zhuang, Zhen Zhang +2
The quasi-harmonic approximation (QHA) is a powerful method that uses the volume dependence of non-interacting phonons to compute the free energy of materials at high pressures (P)…
Full-waveform tomography reveals iron spin crossover in Earth lower mantle
Laura Cobden, Jingyi Zhuang, Wenjie Lei +3
Joint interpretation of bulk and shear wave speeds constrains the chemistry of the deep mantle. At all depths, the diversity of wave speeds cannot be explained by an isochemical ma…
The postperovskite transition in Fe- and Al-bearing bridgmanite: effects on seismic observables
Juan J. Valencia-Cardona, Renata M. Wentzcovitch, Jingyi Zhuang +2
The primary phase of the Earth's lower mantle, (Al, Fe)-bearing bridgmanite, transitions to the postperovskite (PPv) phase at Earth's deep mantle conditions. Despite extensive expe…
Thermodynamics of spin crossover in ferropericlase: an improved LDA+ calculation
Yang Sun, Jingyi Zhuang, Renata M. Wentzcovitch
We present LDA+ calculations of high-spin (HS) and low-spin (LS) states in ferropericlase (fp) with an iron concentration of 18.75. The Hubbard parameter is determi…
: extensible, high-level workflows for swifter materials modeling
Qi Zhang, Chaoxuan Gu, Jingyi Zhuang +1
In this work, we introduce an open-source project, , an extensible, high-throughput, high-level workflow framework that aims to automate $\textit…
Thermodynamic properties of ε-Fe with thermal electronic excitation effects on vibrational spectra
Jingyi Zhuang, Hongjin Wang, Qi Zhang +1
The thermodynamic properties of hcp-iron (ε-Fe) are essential for investigating planetary cores' internal structure and dynamic properties. Despite their importance to planetary sc…