نتایج جستجو برای: potential energy function
تعداد نتایج: 2692698 فیلتر نتایج به سال:
Dual minimum principles for displacements and stresses are well established for linear variational problems and also for nonlinear (and monotone) constitutive laws. This paper studies the problem of geometric nonlinearity. By introducing a gap function, we recover complementary variational principles in the equilibrium problems of mathematical physics. When the gap function is nonnegative those...
abstract nowadaysphotovoltaic solar cells (pvs) areacknowledged the fastest growing energy technology in the word, however, they only account for only fraction of current global renewable energy capacity. it isrecognized that this incomplete market penetration has been largely a result of the technology’sexcessive cost. so researchers are trying to find innovative, economic way with theaim of ...
In this research, the optical properties of tungsten disulfide including dielectric function, the static refractive index, the imaginary part of the dielectric function, optical band gap, energy loss spectrum and its magnetic properties have been studied. Calculations have been done by using Quantum Espresso package which is based on density functional theory and pseudo-potential technique. The...
Commonly in designing hydroelectric dams and in the level of consulting engineers, for determining the hydroelectric potential of an storage, the analyze is done based on an RBS (Reliability Based Simulation) model with an obvious operation policy. In this paper the effect of optimizing release rules instead of using a fixed and know release policy, like what it is adopted in an RBS model, w...
An empirical potential energy surface has been developed for the Ne·OH/D complexes from the experimentally observed vibrational and rotational energy levels with ab initio calculations being used for initial esti-
Cables have always been under consideration as a structural element because of important features such as large strength to weight ratios and long spans. Their equilibrium analysis is an important issue in this regard. But this analysis involves highly nonlinear equations arising from large deformations and material nonlinearity. Different methods have been under use for numerical analysis of s...
air conditioning refrigerant r134a has value of global warming potential (gwp) 1300, which is much higher than mac directive (gwp below 150) passed in july 2006. this prompted a search for alternative refrigerant with gwp value less than 150. r1234yf is a new refrigerant which has lower gwp value of 4. effect of blower speed has been compared and flammability issue of r1234yf has been addressed...
using the gaussian 2003 software and mp2 /6 – 311+ g method for the c2h4 : o2, co:cl2 andco2:co2 pairs and mp2/6-311++g** method for the co2:h2o pair and b3lyp/6-31g methodfor the o2:o2 pair the optimized interaction energies between two considered pair molecules ofstudied gases(c2h4:o2, co:cl2, co2:h2o, o2:o2 and co2:co2 pairs) as a function of thedistances between the centers of two considere...
The potential energy surface of an off-lattice model protein is characterized in detail by constructing a disconnectivity graph and by examining the organisation of pathways on the surface. The results clearly reveal the frustration exhibited by this system and explain why it does not fold efficiently to the global potential energy minimum. In contrast, when the frustration is removed by constr...
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