摘要：An important step for achieving the knowledge-based design freedom on nano-and interfacial materials is attained by elucidating the related surface and interface thermodynamics from the first principles so as to allow engineering the microstructures for desired properties through smartly designing fabrication processing *** is demonstrated for SnO2 nano-particle surfaces and also a technologically important Ag-SnO2 interface fabricated by in-situ internal *** on defect thermodynamics,we first modeled and calculated the equilibrium surface and interface structures,and as well corresponding properties,as a function of the ambient temperature and oxygen partial pressure.A series of first principles energetics calculations were then performed to construct the equilibrium surface and interface phase diagrams,to describe the environment dependence of the microstructures and properties of the surfaces and interfaces during fabrication and service *** use and potential application of these phase diagrams as a process design tool were suggested and discussed.

摘要：The removal of phosphorus in metallurgical grade silicon （MG-Si） by water vapor carried with high purity argon was examined. The effect of the nozzle types, refining time, refining temperature, refining gas temperature and refining gas flow rate on the phosphorus removed was investigated by the self-designed gas blowing device. The optimal refining conditions are nozzle type of holes at bottom and side, refining time of 3 h, refining temperature of 1793 K, refining gas temperature of 373 K, refining gas flow rate of 2 L/min. Under these optimal conditions, the phosphorus content in MG-Si is reduced from 94×10^-6 initially to 11×10-6 （mass fraction）, which indicates that gas blowing refining is very effective to remove phosphorus in MG-Si.

摘要：Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced steels. In the course of designing, the composition of a large section of prehardened mold steel for plastics was estimated so as to lower the quantities of oxide inclusions to change the type of carbides and to raise the machinability. The composition and process were adjusted to obtain satisfactory surface quality for the prevailing galvanization in transformation-induced plasticity （TRIP） steel. The refuting process of low-carbon steel was simulated in the light of both Thermo-Calc and Factsage. Thermodynamic and kinetic analyses were always conducted during the test and the procedure.

摘要：The energy-saving analytics of coal-fired power units in China is confronting new challenges especially with even more complicated system structure, higher working medium parameters, time-dependent varying operation conditions and boundaries such as load rate, coal quality, ambient temperature and humidity. Compared with the traditional optimization of specific operating parameters, the idea of the energy-consumption benchmark state was proposed. The equivalent specific fuel consumption(ESFC) analytics was introduced to determine the energy-consumption benchmark state, with the minimum ESFC under varying operation boundaries. Models for the energy-consumption benchmark state were established, and the endogenous additional specific consumption(ASFC) and exogenous ASFC were calculated. By comparing the benchmark state with the actual state, the energy-saving tempospacial effect can be quantified. As a case study, the energy consumption model of a 1000 MW ultra supercritical power unit was built. The results show that system energy consumption can be mainly reduced by improving the performance of turbine subsystem. This nearly doubles the resultant by improving the boiler system. The energy saving effect of each component increases with the decrease of load and has a greater influence under a lower load rate. The heat and mass transfer process takes priority in energy saving diagnosis of related components and processes. This makes great reference for the design and operation optimization of coal-fired power units.

摘要：This article discusses the physical principles to be considered in a thermodynamic engineering solar system running under operational control algorithms designed to minimize entropy rates. The proposed plant is based on scientific foundations established by thermodynamics and classical field theory, and empirical disciplines that deal with properties of chemical elements and with technologies of calorific capture from remote sources. The gauge principle was applied in theoretical formalization as an essential tool in the control background of the entropy rates involved. The industrial system presented was planned to recycle condensed matter within the scope of a solid waste management policy.

摘要：In the recent years,engineering new-to-nature CO_(2)-and C1-fixing metabolic pathways made a leap ***,artificial pathways promise higher yields and activity than natural ones like the Calvin-Benson-Bassham(CBB)*** question remains how to best predict their in vivo performance and what actually makes one pathway“better”than *** this context,we explore aerobic carbon fixation pathways by a computational approach and compare them based on their specific activity and yield on methanol,formate,and CO_(2)/H_(2)considering the kinetics and thermodynamics of the *** pathways found in nature or implemented in the laboratory,this included two completely new cycles with favorable features:the reductive citramalyl-CoA cycle and the 2-hydroxyglutarate-reverse tricarboxylic acid cycle.A comprehensive kinetic data set was collected for all enzymes of all pathways,and missing kinetic data were sampled with the Parameter Balancing *** and thermodynamic data were fed to the Enzyme Cost Minimization algorithm to check for respective inconsistencies and calculate pathway-specific *** specific activities of the reductive glycine pathway,the CETCH cycle,and the new reductive citramalyl-CoA cycle were predicted to match the best natural cycles with superior productsubstrate ***,the CBB cycle performed better in terms of activity compared to the alternative pathways than previously *** make an argument that stoichiometric yield is likely not the most important design criterion of the CBB ***,alternative carbon fixation pathways were paretooptimal for specific activity and product-substrate yield in simulations with C1 substrates and CO_(2)/H_(2)and therefore hold great potential for future applications in Industrial Biotechnology and Synthetic Biology.