Fig.1

The variation of (a) loss function; (b) total energy of system and (c) atomic force with training process"

Fig.2

Comparison of energy and forces for MgNaK eutectic salt in the testing data. The embedded graphs show the normalized probability density function of energy or force errors"

Fig.3

Comparison of PRDF and CN for MgNaK eutectic salt at 1000 K. The solid lines represent the results obtained from the ML potential, while the dashed lines represent the results obtained from FPMD"

Fig.4

The PRDF of MgNaK eutectic salt exhibits variations with temperature. To ensure clarity, the lines are manually offset"

Fig.5

The CN of MgNaK eutectic salt exhibits variations with temperature. To ensure clarity, the lines are manually offset"

Table 1

PRDF and CN characteristic of MgNaK eutectic salt vary with temperature"

Fig.6

The mole fractions of different coordination numbers of Cl surrounding Mg vary with temperature. The solid symbols represent the simulated values, while the solid lines depict the linear fit obtained in this study"

Fig.7

Charge density difference of the MgNaK eutectic salt at 1000 K. The yellow contours indicate electron accumulation, while the blue contours represent electron depletion. The contours are chosen to be 0.005 e/Å3. The Mg, Na, K and Cl are colored as orange, grey, purple and green, respectively"

Fig.8

COHP of differnet pairs at (a) 660 K and (b) 1000 K"

Fig.9

The density and constant pressure specific heat capacity of the MgNaK eutectic salt exhibit a dependence on temperature. The experimental values are represented by the dashed line, while the solid symbols and lines depict the simulated values obtained from the ML model and the linear fit, respectively"

Fig.10

Enthalpies of MgNaK eutectic salt at different temperature. The solid symbols represent the simulated values obtained from the ML model, while the lines depict the linear fit"

Fig.11

Running MSDs of (a) Cl ion, (b) Mg ion, (c) Na ion, and (d) K ion"

Fig.12

Temperature-dependent D of MgNaK eutectic salt (a) D vs. T; (b) In D vs. T-1"

Fig.13

Temperature distribution of simulated system at different temperatures. The solid lines represent a linear fit"

Fig.14

Temperature-dependentλof MgNaK eutectic salt. Simulated values and linear fit of this work are depicted by solid red squares and lines, respectively. The dashed line represents simulated values from Villada's work[28]"

Fig.15

Velocity distributions of different temperatures. The solid lines represent a linear fit"

Fig.16

Temperature-dependent η of MgNaK eutectic salt (a) ηvs.T, (b) ln(ηT-1/2) vs. (T-T0)-1. Simulated values and VTF fit of ML are represented by solid red circles and lines, respectively. Simulated values of Villada and Li are denoted by solid green and blue squares. The open orange squares correspond to experimental values obtained in this study"

Table 2

Parameters from the VTF fit of viscosity data of Fig.16"