596 citations · 789 across the 16 of their papers we have counts for
16 papers
Insights into the long-standing controversy over sound velocities in lizardite
Chenxing Luo, Timothy Liao, Hongjin Wang +1
Serpentine minerals are abundant H-bearing phases in the upper mantle and play a central role in water transport in subduction zones. Lizardite is the low-temperature polymorph exp…
LitCurate: A Configuration-Driven AI-Assisted Framework for Scientific Database Construction with an Application to Lower-Mantle Equation-of-State Data
Abin Shakya, Wilson Samuels, Dominica Wilson +4
The growing scientific literature contains decades of experimental and computational results that could support data-driven and physics-based modeling, yet much of this infor- mati…
Lattice dynamics and the spectroscopic signatures of H-bond disorder in -AlOOH
Chenxing Luo, Sangjoon Lee, Hongjin Wang +2
Raman and infrared anomalies associated with H-bond symmetrization in -AlOOH, including mode softening and linewidth broadening at 5-10 GPa, occur at significantly lower pressur…
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…
Ferroelasticity, shear modulus softening, and the tetragonal-cubic transition in davemaoite
Tianqi Wan, Chenxing Luo, Zhen Zhang +2
Davemaoite (Dm), the cubic phase of CaSiO3-perovskite (CaPv), is a major component of the Earth's lower mantle. Understanding its elastic behavior, including its dissolution in bri…
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng +44
In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for m…
Machine learning potential for serpentines
Hongjin Wang, Chenxing Luo, Renata Wentzcovitch
Serpentines are layered hydrous magnesium silicates (MgOSiOHO) formed through serpentinization, a geochemical process that significantly alters the physical pro…
Elasticity and acoustic velocities of -AlOOH at extreme conditions: a methodology assessment
Chenxing Luo, Yang Sun, Renata Wentzcovitch
Hydrous phases play a fundamental role in the deep-water cycle on Earth. Understanding their stability and thermoelastic properties is essential for constraining their abundance us…
Ab initio study on the stability and elasticity of brucite
Hongjin Wang, Chenxing Luo, Renata M. Wentzcovitch
Brucite (Mg(OH)) is a mineral of great interest owing to its various applications and roles in geological processes. Its structure, behavior under different conditions, and uni…
Probing the state of hydrogen in -AlOOH at mantle conditions with machine learning potential
Chenxing Luo, Yang Sun, Renata M. Wentzcovitch
Hydrous and nominally anhydrous minerals (NAMs) are a fundamental class of solids of enormous significance to geophysics. They are the water carriers in the deep geological water c…
Thermoelastic properties of bridgmanite using Deep Potential Molecular Dynamics
Tianqi Wan, Chenxing Luo, Yang Sun +1
MgSiO_3-perovskite (MgPv) plays a crucial role in the Earth's lower mantle. This study combines deep-learning potential (DP) with density functional theory (DFT) to investigate the…
DeePMD-kit v2: A software package for Deep Potential models
Jinzhe Zeng, Duo Zhang, Denghui Lu +44
DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. T…
Elastic anisotropy of lizardite at subduction zone conditions
Xin Deng, Chenxing Luo, Renata M. Wentzcovitch +2
Subduction zones transport water into Earth's deep interior through slab subduction. Serpentine minerals, the primary hydration product of ultramafic peridotite, are abundant in mo…
Ab initio calculations of third-order elastic coefficients
Chenxing Luo, Jeroen Tromp, Renata M. Wentzcovitch
Third-order elasticity (TOE) theory is predictive of strain-induced changes in second-order elastic coefficients (SOECs) and can model elastic wave propagation in stressed media. A…
Ab initio investigation of H-bond disordering in -AlOOH
Chenxing Luo, Koichiro Umemoto, Renata M. Wentzcovitch
-AlOOH () is a high-pressure hydrous phase that participates in the deep geological water cycle. At 0 GPa, has asymmetric hydrogen bonds (H-bonds). Under pressure, it exh…
cij: A Python code for quasiharmonic thermoelasticity
Chenxing Luo, Xin Deng, Wenzhong Wang +3
The Wu-Wentzcovitch semi-analytical method (SAM) is a concise and predictive formalism to calculate the high-pressure and high-temperature (high-PT) thermoelastic tensor (Cij) of c…