نتایج جستجو برای: first principle

تعداد نتایج: 1560535  

The main purpose of this study is to discuss the uniform boundednessprinciple in fuzzifying topological linear spaces. At first theconcepts of uniformly boundedness principle and fuzzy equicontinuousfamily of linear operators are proposed, then the relations betweenfuzzy equicontinuous and uniformly bounded are studied, and with thehelp of net convergence, the characterization of fuzzyequiconti...

Journal: :physical chemistry research 2013
mahmood moradi mohammad rostami

the electronic and magnetic properties of the hypothetical compounds of mc (m=al, ga and in) are investigated by using first-principle calculations and pseudopotential plane wave self-consistent field method based on density functional theory. in order to find the most stable phase of mc (m=al, ga and in), we study them in zinc-blende (zb), rocksalt (rs), wurtzite and nias crystal structures. w...

Journal: :journal of physical and theoretical chemistry 0
mansoureh pashangpour department of physics, islamshahr branch, islamic azad university, islamshahr, iran vahid ghaffari central tehran branch, islamic azad university, tehran, iran

we have investigated structure and electronic properties of au and si liner chains using the firstprinciplesplane wave pseudopotential method. the transport properties and conductance of these twoliner chains are studied using landauer approaches based on density functional theory (dft). weobtain density of states and band gap using kohn-sham and wannier functions as well as quantumconductivity...

2017
Mauro Francesco Sgroi Roberto Lazzaroni David Beljonne Daniele Pullini Maciej Swierczynski

A density functional theory (DFT) study has been carried out on transition metal phosphates with olivine structure and formula LiMPO4 (M = Fe, Mn, Co, Ni) to assess their potential as cathode materials in rechargeable Li-ion batteries based on their chemical and structural stability and high theoretical capacity. The investigation focuses on LiMnPO4, which could offer an improved cell potential...

2007
Takuya Kawahara

Abstract: On the basis of the relativistic symmetry of Minkowski space, we derive a Lorentz invariant equation for a spread electron. This equation slightly differs from the Dirac equation and includes additional terms originating from the spread of an electron. Further, we calculate the anomalous magnetic moment based on these terms. These calculations do not include any divergence; therefore,...

Journal: Religious Inquiries 2017

This article discusses Clement of Alexandria’s doctrine of Scripture based on the terms “voice” of God, “first principle,” and “demonstration” that he uses for Scripture. By studying the usage of these terms and the related passages, it will be made clear that Clement regards Scripture as a vessel of God’s voice, favoring what is now called the theory of verbal inspiration. Mo...

2008
Giorgio Parisi

We propose a first principle computation of the equilibrium thermodynamics of simple fragile glasses starting from the two body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being built of m atoms, and having a gyration radius (related to the cage size) which vanishes at zero temperature. We use a small cage expan...

2017
Matías Núñez

The field of ferroelectric materials is driven by its possible use in various micro-electronic devices that take advantage of their multifunctional properties. The existence of a switchable spontaneous polarization (see Figure 1) is at the basis of the design of non volatile ferroelectric random access memories (FERAMs), where one bit of information can be stored by assigning one value of the B...

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