Research on the Impact of New and Renewable Energy Replacing Fossil Energy Resource under Constraint of Carbon Emissions

For studying new and renewable energy as a substitute for fossil energy in primary energy consumption and its impact on carbon emissions to cope with economic uncertainties, a multi-sector DSGE model was employed to simulate the dynamic impact on carbon emissions and macroeconomic development. The structural adjustment of energy consumption and the carbon emissions mitigation policy were considered in the model. The simulation results showed that using new and renewable energy instead of fossil energy is an optimal choice for the firms to comply with the regulations of carbon emission mitigation policy. Structural adjustment of energy consumption is the best route to achieve the dual goal of economic development and carbon emission reduction. Unexpected sharp fall in free carbon quota has a negative impact on the economy.

Energy substitution game under the supply capacity restriction

Along with Chinese economic growth,energy plays a more and more important role in the national economy.The imbalance between insufficient energy supply and huge energy demand has become a major problem in energy utilization,and energy substitution is attracting more and more attention as a key to the sustainable and sound development of Chinese economy.Explored the possibilities of the mutual substitution of the two types of energy with different functions with game theory in light of the supply capacity.As a con- clusion,there are four equilibrium results corresponding to different levels of supply capac- ity.Subsequently,we carry on the study further by numerical simulation,investigate in one group of results most close to Chinese energy status and find the equilibrium price as well as the demand variation pattern.

THE LINEAR CORRELATIONS BETWEEN ELECTRONIC TRANSITION ENERGY AND HAMMETT CONSTANTS FOR THE SUBSTITUTED PORPHYRIN-LIKE MACROCYCLE

The properties of absorption spectra are presented and the linear correlations of Hammett constants with the 0-0 transition energy(E_(o,o))of S_←S_o, and the ratios of oscillator strength(f/f)are used to probe the interactions betwee π-electron of aromatic maerocycles or metal ion of complexes with the sub- stituents on β-position of benzene ring for porphyrin-like maerocyclic compounds.

First-principles calculation of electronic properties of N-and X(X=S,Se,Te)-codoped anatase TiO_2

The impact of N-and X（X=S,Se,Te）-codoping on electronic properties of anatase TiO2 has been systematically investigated using density functional theory （DFT）.The optimized geometry shows that there is large lattice expansion for the codoped anatase TiO2 due to large atomic radius of the codoped atom.The calculated substitution energies indicate that incorporation of X（X =S,Se,Te） into N-doped bulk TiO2 can not promote synergistic effect on N after substituting for Ti,whcreas it is bctter after substituting for O.According to the total density of states （DOS） and corresponding partial DOS （PDOS）,it can be seen that substituting X（X =S,Se,Te） for O,N 2p orbital is strongly hybridized with impurity states （S 3p,Se 4p,Te 5p）.After substituting X（X=S,Se,Te） for Ti,conduction band is mainly dominated by Ti 3d orbit and S 3p （Se 4p or Te 5p）-N 2p-Ti 3d hybridized states are formed.Based on Bader analysis,it can be indicated that the electron transfer is from N to X（X=S,Se,Te） if substituting X（X=S,Se,Te） for O,but it is opposite if substitute X（X=S,Se,Te） for Ti.

Analysis of the Impact of the Decline in Crude Oil Imports on the Japanese Economy

In Japan, crude oil use depends almost exclusively on imports, mainly from the Middle East. Therefore, guaranteeing crude oil imports is an important issue for the Japanese energy policy. To analyze the impact of a decrease in crude oil imports, two features of crude oil as an energy good should be taken into consideration, namely being a factor of production in the energy sector and feedstock in petroleum and coal products. This study uses the GTAP and GTAP-E models to evaluate the impact of the decrease in crude oil imports in Japan, applying the same methodology and exogenous values, and analyzes the difference of the simulation results between the two models. In Japan, crude oil is used in two sectors： as feedstock in petroleum and coal products, and as a factor of production in the electricity sector. When energy goods are used as feedstock, the GTAP model, in which energy goods are treated as intermediate inputs with fixed coefficients, is suitable for analysis. The GTAP-E model, which incorporates an energy substitution structure into the GTAP model, is, on the other hand, suitable for analyzing energy goods when they are used as a factor of production. Furthermore, this study uses both a static analysis and an analysis incorporating capital accumulation effects to evaluate short-term, as well as medium to long-term impacts. The simulation results clearly indicate that, in the GTAP-E model, when crude oil imports from the Middle East decrease, Japan attempts to increase its crude oil imports from other regions, but by less than in the case of the GTAP model. The results of this study show that, for energy goods used mainly as feedstock, such as crude oil, analysis with fixed coefficients presents more realistic simulation results than those using the energy substitution structure.

First-principles study of multiple-site substitutions of alloying elements in Ni-based single crystal superalloys

The development of Ni-based single crystal superalloys relies heavily on the composition design with the addition of critical alloying elements,e.g.,Re and Ru.Understanding the role of alloying effects require to know the configurations of the alloying element distribution betweenγ-Ni andγ′-Ni3Al phases and among various non-equivalent sites.This work employed firstprinciples density functional theory calculations to study the preference of phase and site occupancy of 11 alloying elements including Al and transition metal elements:3d (Ti,Cr,Co,Ni),4d (Mo,Ru),and 5d (Hf,Ta,W,Re) in Ni and Ni3Al.We calculated the substitution energies of 1298 triple-site doping configurations including 286 Ni Ni Ni site doping of Ni,726 Al Ni Ni site doping,and 286 Ni Ni Ni site doping of Ni3Al with alloying elements Ni,Co,Ru,Cr,Re,Mo,W,Al,Ti,Ta,and Hf.In the dual-site and triple-site doping of Ni and Ni3Al,all studied alloying elements preferred to occupy Ni phase rather than Ni3Al phase.We found that the most stable defect complexes often contained the favorable substitutions of Al,Ti,Ta,and Hf for the Ni sites that stabilized the alloying elements doping at the other one or two nearest neighbor sites.The co-substitutions of various alloying elements at multiple sites are critical to understanding the strengthening mechanism of alloying elements in Ni-based single crystal superalloys.