Front-tracking method (FTM) is used to study droplet motion caused by Marangoni effect with a point heat source in the diagonal direction. Droplet motion at different Marangoni (Ma) numbers was simulated. It was found that the droplet velocity which decreases as Ma number increasing, increases rapidly to a stable migration velocity then decreases. However, it reverses at t=1.2, which increases as Ma number increasing. Whereupon, the vortex of Hill sphere split and the vortex center moved slightly. The same reflux exists in the droplet as in the Hill sphere vortex. With the increasing of Ma, end topology of temperature field bifurcates twice: The lowest temperature point jumps into the droplet from the stagnation point when occurs firstly in the lower critical Ma number; The inner shell cooling zone breaks from the central point when occurs secondly at upper, then forming toroidal cooling zone.

By using temperature-and-density dependent atomic models, a method for uncertainty of electron EOS of plasmas is described via 35 functional exchange-correlation potentials. A fast method for roughly evaluating uncertainty is designed, and checked in Thomas-Fermi model. Taking gold as an example, calculations of uncertainties of total inner energy, electron pressure and ionization degree, with their ‘quasi true value’, are carried out in the range of temperatures from 1.0 to 10 000.0 eV with three densities 1.0, 10.0, 100.0 g·cm^-3,respectively. The results can be applied in engineering design.

Using Lattice Boltzmann method on GPU, viscous fingering of chemical fluids in porous media is simulated at pore scale. Influence of chemical reaction on fluid mixing is quantified. A one-variable chemical model admitting two stable states is adopted and a homogeneous artificial medium is generated by Quartet Structure Generation Set (QSGS) method. It shows that chemical reaction makes fingering interfaces sharp, restrains fluid mixing, and causes demixing. Influence is enhanced with increase of chemical reaction rate.

Viscous fingering with simultaneous chemical reaction at interface is investigated in a micro channel based on lattice Boltzmann method. One-variable chemical model admitting two stable states is adopted. We focus on influence of chemical reaction on viscous fingering. It is found that fluid interface become thinner with increase of reaction rate, while changes of steady state concentration (interfacial concentration where rate of chemical reactions is zero) influence position and morphology of viscous fingering. Isolated droplet can be formed from tip of finger.

Main cause for uncertainty of atomic structure theory is indicated. A method for uncertainty of temperature-and-density-dependent atomic models in radiative opacity calculation is described via various functional exchange potentials. Uncertainty quantification(UQ) calculation of atomic structures in density-functional at arbitrary temperature and density is carried out by definition of algorithms of modulus. Several procedures indispensable for uncertainty study, and formulae about UQ of electron energy levels and of matrix elements are given. A criterion is proposed to estimate atomic models quantificationally. Feasibility of UQ method is verified by of data of mercury, gold and iron compared with data from‘quasi true’atomic model.

We study carbonation process of CaO with lattice Boltzmann method. Specifically,effects of porosities of CaO particles on carbonation rate are investigated. It shows that efficiency depends on porosity nonlinearly due to competition between molar mass and permeability of particles.

The UTA method to calculate radiative opacity is outlined.Some results of Ge and Al are calculated and comparisons with experiments are given.

Based on fully relativistic HFS self-consistent field AA model, the emerging probabilities of ionic types are determined in analytic formula using the principle of the maximum entropy, and the ionic structures are obtained in peturbation way. All the contributions from over millions of ionic types are taken into account in statistical method according to convolution principle. Finally the formula of extinction coefficient for bound free transition in hot matter with the statistical effects is given, and some results for iron are discussed.

This paper is based on the relativistic self-consistent ion-sphere model. The densi-ty and the continuum wave function are determined consistently with the model. The free-free Gaunt factor is calculated by using partial wave phase-shift method, and the results are compared with the predictions of the Born-Elwert approximation.

Schrödinger wave equation is solved for arbitrary matter density and temperature in the Hartree-Fock-Slater (HFS) self-consistent field method. In order to describe relativistic effects, the mass-velocity, the Darwin and spin-orbit coupling terms are included in the wave equation. Some of our results are compared with experimental data and with other theoretical model, the present results are consistent with experiment better and are close to that of Reference.

Schrodinger wave equation is solved in TF Statistical potential including modification of electronic self-interaction for arbitrary temperature and matter density. In order to deal with relativistic effects on atom, relativistic mass-velocity correction, relativistic Darwin correction and spin-orbit coupling correction are introduced into the wave equation. Calculations are presented for Fe, Rb at a few temperature and various densities and comparison with more accurate one's is made in tables. The datas obtained by present method show our results may be compared even with one of relativistic HFS model.