Origin of the minimum in the total energy curve of diamond using the extended Hückel theory
نویسندگان
چکیده
منابع مشابه
مطالعه پایداری ساختاری فازهای fcc-CHX در چارچوب نظریه تابعی چگالی
Recently, a new carbon modification, namly n-diamond, have been reported, whose structure is still a matter of debate. It is important to note that the synthesis of n-diamond was carried out in the presence of hydrogen or methan. In this work we evaluate the structural stability of five fcc-CHx phases by means of first-principle calculation. The total energy is obtained as a function of the is...
متن کاملEngineering energy gap of the carbon saturated nanowire and investigating the ammonia molecule doping effects by using the initial calculations (Ab initio)
In this paper size effects, growth orientation and also doping by Ammonia molecule (NH3) on the carbon nanowire properties with saturated diamond structure by (DNw:H) have been investigated. This study was carried out using DFT theory and Kohn-Sham equation by self-consistent field (SCF) that performed by local density approximation (LDA). The nanowires morphology is cylindrical with [111] grow...
متن کاملBattery and generator sizing of series hybrid electric vehicle based on experimental data and standard cycles simulation
Hybrid electric vehicles are getting more attention due to the fuel consumption and emission issue in megacities. Energy management strategy and battery capacity are the primary factors for the energy efficiency of range-extended hybrid electric vehicles. Iran khodro Powertrain Company has unveiled a series of hybrid electric vehicles and is improving its performance constantly. In the present ...
متن کاملAerodynamic optimization of a 5 Megawatt wind turbine blade
Wind power has been widely considered in recent years as an available and a clean renewable energy source. The cost of wind energy production is currently the main issue, and increasing the size of wind turbines can reduce wind energy production costs. Hence, megawatt wind turbines are being rapidly developed in recent years. In this paper, an aerodynamic analysis of the NREL 5MW turbine is...
متن کاملAerodynamic optimization of a 5 Megawatt wind turbine blade
Wind power has been widely considered in recent years as an available and a clean renewable energy source. The cost of wind energy production is currently the main issue, and increasing the size of wind turbines can reduce wind energy production costs. Hence, megawatt wind turbines are being rapidly developed in recent years. In this paper, an aerodynamic analysis of the NREL 5MW turbine is...
متن کامل