Kim Il-sung University

Abstract: The modified analytic embedded atom method (EAM) theory considering farther neighbor atoms is improved. We not only adopt an end processing function and an enhanced smooth continuous condition of the pair potential, but also adjust model parameters of multi-body potential by fitting cohesion energies, mono-vacancy formation energies, Rose equation curves, energy differences between several structures, elastic parameters and the equilibrium conditions of crystals. The calculation results of structure energy differences misfit the experiment data for several metallic materials in the unimproved EAM, because its model parameters have not considered these differences. After the modification, the coincidence degree of the structure energy—the reduced distance r/r 1 from the present model with that from the Rose equation is greatly improved for Cr. The calculated results of structure stabilities are in good agreement with experiment data and other calculated results for all considered metals, significantly better than the unimproved model with farther neighbor atoms.

Abstract: Responding to the social, economic, and environmental call to resolve current sustainability challenges, the concern about carbon dioxide emission reduction should be incorporated into the power investment decision process. Reflecting the low carbon emission requirement, this paper proposes a new optimization model for power project portfolio selection that simultaneously considers both of carbon emission trading scheme and carbon tax imposition. In this model, the initial investment outlay, the power sale price, the carbon trading price, and carbon tax rate are treated as uncertain variables considering the fast-changing environment and complex market situation. Incorporating the constraint on whether the carbon quota is exceeded into the model, two investment strategies are proposed for investors. Using the proposed model, the impact of the rises in carbon trading price and carbon tax rate on the investor's investment strategy selection and the carbon emission is simulated and analyzed through a case study. When the expected carbon price is 203.50 RMB/tCO2-eq or less, a company should invest based on the strategy that annual emissions exceed the quota to obtain a maximum expected NPV which is larger than 408588 million RMB. When future carbon prices are 352.00, 500.50 and 649.00 RMB/tCO2-eq, the government should impose carbon tax rates of 30, 30, and 40 RMB/tCO2 on a power company, respectively, to obtain carbon emission reduction effect. At last, to see the contrast effect of the results from simultaneous implementation of both carbon trading and carbon tax, the results considering the carbon trading alone or carbon tax alone are discussed, respectively.

Abstract: In spite of intensive studies on the chalcogenides as conventional thermoelectrics, it remains a challenge to find a proper material with high electrical but low thermal conductivities. In this work, we introduced a new class of thermoelectrics, Ge-based inorganic halide perovskites \ce{CsGeX3} (X = I, Br, Cl), which were already known as a promising candidate for photovoltaic applications. By performing the lattice-dynamics calculations and solving the Boltzmann transport equation, we revealed that these perovskites have ultralow thermal conductivities below 0.18 W m$^{-1}$ K$^{-1}$ while very high carrier mobilities above 860 cm$^2$ V$^{-1}$ s$^{-1}$, being much superior to the conventional thermoelectrics of chalcogenides. These results highlight the way of searching high-performance and low-cost thermoelectrics based on inorganic halide perovskites.