Searcharxiv⌕ Search

arXiv · 2609.36623

Anomalous pressure-dependent viscosity of basaltic melts and its role in asthenosphere melt accumulation

Abstract

The asthenosphere's mechanical weakness enables plate tectonics, but its origin is debated. Partial melt has been proposed to cause this softening, yet recent studies suggest that the measured viscosity minimum in basaltic melts, an essential control on melt mobility, is an experimental artifact. Using quantum mechanics-based, machine learning-accelerated molecular dynamics, we extend simulation timescales by more than a factor of 1000 and achieve percent-level precision. We show that basaltic melt exhibits a robust viscosity minimum (approximately 20% below 1-bar values) at approximately 3 GPa, driven by pressure-induced reorganization of aluminum coordination that facilitates shear relaxation while silicon-oxygen polyhedra remain structurally rigid. Our results reveal a depth-dependent rheological transition: melt mobility peaks below approximately 150 km, promoting efficient extraction, but declines sharply during ascent, causing melt to stagnate beneath the lithosphere. This mechanism provides a physical basis for the dual seismic signatures of a melt-depleted deep asthenosphere and a melt-enriched layer near the lithosphere-asthenosphere boundary.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Hongkun Zeng, Peiyu Zhang, Liang Yuan, Youjun Zhang, Xiang Wu, Junfeng Zhang. 2026-09-29. Anomalous pressure-dependent viscosity of basaltic melts and its role in asthenosphere melt accumulation. https://arxiv.org/abs/2609.36623

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Basis Functions for Time-Dependent Kohn-Sham Inversion

Floquet theory provides insight into the inversion of time-dependent Kohn-Sham density functional theory. Specifically, mathematical derivations show that the fundamental frequencies of a time-dependent wavefunction solution are the leading-order harmonics for the TD-KS state. Numerical tests of the resulting ansatz in 1D and 3D for atomic and molecular cases demonstrate its utility. In particular, low $L_{2}$ errors in the time-dependent density and longitudinal current were found, even though currents were not an explicit optimization objective. In all, the proposed inversion ansatz provides exchange-correlation potentials from time-dependent wavefunctions, is highly interpretable, and may significantly help in the development of nonadiabatic density functionals.

physics.chem-ph↗

Electronic excitation spectra and recovery of excited states with neural network wave functions

Accurate electronic spectra require both a flexible description of electron correlation and a tractable treatment of the many states contributing to the response. We combine neural network wave functions with the Lorentz integral transform to calculate electronic spectra directly in continuous coordinates, without truncation error from a fixed one-electron basis and with polynomial computational cost per optimization step. Instead of constructing a prescribed set of excited states, the method solves an inhomogeneous Schrödinger equation at a chosen complex energy. This formulation gives access, in principle, to the entire spectrum coupled to a perturbation, including bound excitations and the ionization continuum, without explicitly determining all lower-lying eigenstates. A finite imaginary energy controls the resolution and keeps the response square integrable. Near an isolated bound excitation, the normalized response also recovers the corresponding eigenstate as the width tends to zero. A helium application illustrates the extraction of an excitation energy and oscillator strength. The formulation provides a route from neural descriptions of electronic correlation to spectra beyond a small manifold of low-lying states.

physics.chem-ph↗

Pushing the accuracy of on-top functionals with agent-driven supervised learning

Multiconfiguration pair-density functional theory (MC-PDFT) combines multiconfigurational reference wave functions with on-top functionals to provide an efficient electronic-structure method for strongly correlated molecular systems. We developed a large language model-based agent for functional development and combined multiple databases into the large, chemically diverse MCDDB26 database. We then used MCDDB26 to develop two on-top functionals, MC26 and COF26. MC26 retains an existing analytical form but substantially improves performance by refitting its linear parameters with optimised weights for the training datasets. Building on this result, we developed COF26, a general hybrid on-top functional with a new analytical form. COF26 provides greater overall accuracy for multireference chemistry than existing on-top functionals. Applications across MCDDB26 show that COF26 accommodates both multiconfigurational and single-configuration densities. It therefore performs well for barrier heights, isomerisation energies, thermochemistry, non-covalent interactions, radical and non-radical chemistry, single-reference and multireference systems, and transition-metal chemistry.

physics.chem-ph↗