نتایج جستجو برای: first principle

تعداد نتایج: 1560535  

2009
Zhiyan Chang Yang Xu Weifeng Du Minghui Wu

The current paper discusses the uncertainty reasoning method based on gradational lattice-valued firstorder logic Lvfl. For some representative uncertainty reasoning models, some concrete methods for selecting appropriate parameters during the uncertainty reasoning process based on lattice-valued first-order logic Lvfl are proposed. Emphasis is placed on the research of the consistent of L-type...

Journal: :Mathematical and Computer Modelling of Dynamical Systems 2010

Journal: :IOP Conference Series: Materials Science and Engineering 2021

Journal: :Journal of Physical Chemistry C 2023

Chemical looping is an innovative technique that relies, to a large extent, on the possibility of finding new oxygen carriers. Until now, these materials have primarily been identified via experimental techniques and therefrom derived insights. However, this both costly time-consuming. To speed-up process, we applied computational screening approach based energetic data retrieved from Open Quan...

Journal: :npj computational materials 2022

Abstract The success of topological band theory and symmetry-based classification significantly advances our understanding the Berry phase. Based on critical concept obstruction, efficient theoretical frameworks, including quantum chemistry symmetry indicator theory, were developed, making a massive characterization real materials possible. However, magnetic often involves complexity their unkn...

Journal: :Journal of Superconductivity and Novel Magnetism 2021

Abstract Monolayer MnCX 3 metal–carbon trichalcogenides have been investigated by using the first-principle calculations. The compounds show half-metallic ferromagnetic characters. Our results reveal that their electronic and magnetic properties can be altered applying uniaxial or biaxial strain. By tuning strength of external strain, bandgap ordering change result in a phase transition from to...

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