نتایج جستجو برای: minimum total potential energy principle

تعداد نتایج: 2564040  

دادستانی, مهرداد, نجاتی‌پور, هاجر,

 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...

Journal: :iranian journal of science and technology (sciences) 2010
a. aryadoust

the electronic structure, energy band structure and electronic density of 2 sno ceramic in cubicphase have been investigated using first principle full potential-linearized augmented plane wave (fp-lapw)method within density functional theory (dft). local density approximation (lda) and the generalizedgradient approximation (gga), which are based on exchange- correlation energy optimization wer...

1992
Costas D. Maranas Christodoulos A. Floudas

A global optimization approach is proposed for finding the global minimum energy configuration of Lennard-Jones microclusters. First, the original nonconvex total potential energy function, composed by rational polynomials, is transformed to the difference of two convex functions (DC transformation) via a novel procedure performed for each pair potential that constitute the total potential ener...

Ashkan Nabavi Pelesaraei, Mohammad Bagher Dehpour Sajjad Shaker Koohi

This paper studies the modeling and optimization of energy use and greenhouse gas emissions of eggplant production using artificial neural network and multi-objective genetic algorithm in Guilan province of Iran. Results showed that the highest share of energy consumption belongs to diesel fuel (49.24%); followed by nitrogen (33.30%). The results indicated that a total energy input of 13910.67 ...

Ashkan Nabavi Pelesaraei, Mohammad Bagher Dehpour Sajjad Shaker Koohi

This paper studies the modeling and optimization of energy use and greenhouse gas emissions of eggplant production using artificial neural network and multi-objective genetic algorithm in Guilan province of Iran. Results showed that the highest share of energy consumption belongs to diesel fuel (49.24%); followed by nitrogen (33.30%). The results indicated that a total energy input of 13910.67 ...

2014
Ryan A. Loomis Brett A. McGuire Christopher Shingledecker Andrew Burkhardt Chelen H. Johnson Samantha Blair Amy Robertson Anthony J. Remijan

Recently, Lattelais et al. (2009) have interpreted aggregated observations of molecular isomers to suggest that there exists a “minimum energy principle”, such that molecular formation will favor more stable molecular isomers for thermodynamic reasons. To test the predictive power of this principle, we have fully characterized the spectra of the three isomers of C3H2O toward the well known mole...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - دانشکده علوم 1387

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

Journal: :Indiana University Mathematics Journal 2007

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