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Xuyang Long

Publications and source records attributed to Xuyang Long.

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Location of the liquid-vapor critical point in aluminum

The precise location of the liquid-vapor critical point in aluminum has remained elusive for decades, with reported critical temperatures spanning nearly 4000 K. Here we resolve this long-standing uncertainty by combining deep potential molecular dynamics with large-scale simulations trained on high-fidelity electronic-structure data. We benchmark multiple exchange-correlation functionals against experimental liquid densities and identify PBEsol as providing the most consistent description. Using complementary approaches -- spinodal analysis of the equation of state and direct coexistence simulations with Gaussian mixture phase identification -- we converge on a critical temperature of 6531-6576 $^\circ$K, a critical density of $0.637$ g/cm$^{3}$, and a critical pressure of $1.6$ kbar. The precision of these values, with temperature uncertainties of $\sim$50 K, represents a marked improvement over previous estimates. Our framework establishes a transferable strategy for predicting critical phenomena in metals, with implications for laser ablation, shock compression, and planetary modeling under extreme conditions.

cond-mat.stat-mech

Pressure dependence of liquid iron viscosity from machine-learning molecular dynamics

We have developed a machine-learning potential that accurately models the behavior of iron under the conditions of Earth's core. By performing numerous nanosecond scale equilibrium molecular dynamics simulations, the viscosities of liquid iron for the whole outer core conditions are obtained with much less uncertainty. We find that the Einstein-Stokes relation is not accurate for outer core conditions. The viscosity is on the order of 10s \si{mPa.s}, in agreement with previous first-principles results. We present a viscosity map as a function of pressure and temperature for liquid iron useful for geophysical modeling.

physics.geo-ph