نتایج جستجو برای: Minimum Potential Energy
تعداد نتایج: 1791551 فیلتر نتایج به سال:
in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...
in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...
Using three cluster model, the ternary fission of (_"98" ^"252" )Cf is studied. We applied collinear and equatorial configurations to study the ternary fission of (_"98" ^"252" )Cf when three fragments are Sn, Ni and Ca. The potential energy of collinear and equatorial configurations is calculated. We calculated the potential energy for odd and even values of A3. Also, we compared the potential...
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...
In this paper at first introduced constituent equations for piezoelectric and then by the help of this equations, internal energy of hinged-hinged piezoelectric multilayer beam was computed. Then by the principle of minimum potential energy and Rayleigh -Ritz method the bending curvature equation of hinged-hinged piezoelectric multilayer beam under concentrated moment, concentrated force, unifo...
Estimation of the height of caved and fractured zones above a longwall panel along with the stability conditions of the goaf area are very crucial to determine the abutment stresses, ground subsidence, and face support as well as designing the surrounding gates and intervening pillars. In this work, the height of caving-fracturing zone above the mined panel is considered as the height of destre...
School buildings forming a large part of public buildings are among the most important consumers of energy in Iran. Given the existing construction conditions, these buildings seem to have considerable potential for energy efficiency if the construction and design methods are reformed. Therefore, numerous researchers have analyzed geometrical factors influencing energy consumption in buildings,...
Free energy calculation is critical in predictive tasks such as protein folding, docking and design. However, rigorous calculation of free energy change is prohibitively expensive in these practical applications. The minimum potential energy is therefore widely utilized to approximate free energy. In this study, based on analysis of extensive molecular dynamics (MD) simulation trajectories of a...
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