Two?dimensional transition metal carbides and nitrides (MXenes) have become a high?profile material with a wide range of application prospects due to their efficient adsorption and catalytic properties,wide optical absorption range,and excellent conductivity.Ni?doped Nb2C material has positive photocatalytic properties.To explore the intrinsic mechanism of photocatalytic property improvement by Ni?doped Nb2C,the electronic structure properties of Nb2C and its Ni?functionalized form(i.e.,Ni?Nb2C) and their adsorption properties for CO2 gas molecule by using the density functional theory (DFT) were investigated.The results show that the replacement of an Nb atom by a Ni atom makes the charge density around the Ni atom increase and further results in a redistribution of the charge density of the substrate,which leads to an improved electronic environment for catalyzing CO2 and improves the photocatalytic property for CO2.
The Stress Intensity Factor of Six Prismatic Cracked Shell Based on J2-Integral
Leakage Volume Calculating Software for Products Pipeline
In recent years, a series of pipeline leakage accidents frequently occur due to aging, corrosion and manmade damage. At present, most of related software focuses on the qualitative accidental assessment and localization of the leaking point while the study correlated with practical calculation of leakage volume is rare. An efficient quantitative calculation of the volume of leakage is essential to provide guidance for subsequent accidental management, environmental evaluation and division of the hazardous area. Connected with the alarm system and the online calculation module, a software with the function of online and offline calculation is developed on the basis of transient flow model coupled with hydraulic and thermal factors. A real case study is presented to demonstrate the relative error which is less than 5% and the results prove that it is of practical value and able to offer reference and guidance for engineers.