نتایج جستجو برای: crystal field stabilization energy

تعداد نتایج: 1567264  

2015
A. O. Leonov M. Mostovoy

Multiply periodic states appear in a wide variety of physical contexts, such as the Rayleigh-Bénard convection, Faraday waves, liquid crystals and skyrmion crystals recently observed in chiral magnets. Here we study the phase diagram of an anisotropic frustrated magnet which contains five different multiply periodic states including the skyrmion crystal. We clarify the mechanism for stabilizati...

Journal: :Bulletin of The Chemical Society of Ethiopia 2022

ABSTRACT. In this present study, Density fuctional theoretical computations are performed at (B3LYP, PBEPBE), HF and MP2 level with 3-21G basis sets to derive optimized geometry bonding features. The calculated geometrical parameters have been compared experimental data. intermolecular O–H…O N–H…O hydrogen bonds involved in crystal structure stabilization. An intramolecular O–H…N bond is observ...

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2010
Nikolas Provatas Sami Majaniemi

A phase field crystal (PFC) density functional for binary mixtures is coarse grained and a formalism for calculating the simultaneous concentration, temperature, and density dependence of the surface energy anisotropy of a solid-liquid interface is developed. The methodology systematically relates bulk free energy coefficients arising from coarse graining to thermodynamic data, while gradient e...

1997
D. R. Rainer S. M. Vesecky M. Koranne W. S. Oh D. W. Goodman

A kinetics study of the CO+NO reaction over Pd has been carried out using single-crystal, model planar-supported, and conventional high-surface-area Pd/Al2O3 catalysts. A pronounced structure sensitivity is evident that results in a rate enhancement over the Pd(111) single crystal relative to the more open (100) and (110) faces, and for larger supported particles relative to smaller ones. Tempe...

Journal: :Journal of the Mineralogical Society of Japan 1969

Journal: :Physical review. B, Condensed matter 1996
Efros Rosen Kuno Nirmal Norris Bawendi

We present a theoretical analysis of the band-edge exciton structure in nanometer-size crystallites of direct semiconductors with a cubic lattice structure or a hexagonal lattice structure which can be described within the framework of a quasicubic model. The lowest energy exciton, eightfold degenerate in spherically symmetric dots, is split into five levels by the crystal shape asymmetry, the ...

2001
P. Dorenbos

Information on the energy of 5d levels of Ce ions coordinated by CO3 22 , SO4 22 , PO4 32 , BO3 32 , and SiO4 42 ionic complexes or by neutral water molecules in oxide compounds will be presented and systematically analyzed. The average energy of the 5d configuration of excited Ce is shifted towards lower energy relative to the free ion value. This centroid shift depends on the binding strength...

Journal: :Physical review 2022

We theoretically and experimentally study the stability of unconventional fractional antiferromagnetic skyrmion lattice (AF-SkL) in ${\mathrm{MnSc}}_{2}{\mathrm{S}}_{4}$ spinel under magnetic fields applied along [1-10] crystal direction. By performing numerical Monte Carlo simulations for minimal effective spin model that we proposed S. Gao et al., Nature 586, 37 (2020), show is aligned within...

2017
Xiaolan Yang Jifeng Liu Yajun Zhou Zhen Wang

Article history: Received: 06.02.2015. Received in revised form: 11.05.2015. Accepted: 15.05.2015. Due to the shortcomings of one mass vibration mill such as inefficiency, high energy consumption and big noise, a double mass high energy vibration mill, in which transient high vibration intensity is produced, is investigated by applying the non linear vibration theory. The nonlinear hard feature...

2008
Evangelos Pournaras Martijn Warnier Frances Brazier

Global stabilization of energy networks without centralized control is the challenge this paper addresses. An agent-based approach to decentralized self-management of networked appliances is the solution this paper explores. Software agents represent thermostatically controlled appliances (TCAs), generate energy plans for expected energy consumption, and interact with each other as peers within...

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