First-Principles Insight into the Effects of Intrinsic Oxygen Defects on Proton Conduction in Ruddlesden–Popper Oxides

2021 ◽  
pp. 11503-11510
Author(s):  
Lili Li ◽  
Jing Zhou ◽  
Zhiwei Hu ◽  
Sihyuk Choi ◽  
Guntae Kim ◽  
...  
Keyword(s):  
First Principles ◽  
Proton Conduction ◽  
Oxygen Defects ◽  
Insight Into

Identification of oxygen defects in CdTe revisited: First-principles study

2014 ◽  
Vol 115 (20) ◽  
pp. 203511 ◽  
Author(s):  
J. T-Thienprasert ◽  
T. Watcharatharapong ◽  
I. Fongkaew ◽  
M. H. Du ◽  
D. J. Singh ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Oxygen Defects

scholarly journals Application of nonlinear autoregressive moving average exogenous input models to geospace: advances in understanding and space weather forecasts

2013 ◽  
Vol 31 (9) ◽  
pp. 1579-1589 ◽  
Author(s):  
R. J. Boynton ◽  
M. A. Balikhin ◽  
S. A. Billings ◽  
O. A. Amariutei
Keyword(s):  
First Principles ◽  
Radiation Belt ◽  
Electron Flux ◽  
Moving Average ◽  
Autoregressive Moving Average ◽  
Weather Forecasts ◽  
Dst Index ◽  
Identification Technique ◽  
Nonlinear Autoregressive ◽  
Insight Into

Abstract. The nonlinear autoregressive moving average with exogenous inputs (NARMAX) system identification technique is applied to various aspects of the magnetospheres dynamics. It is shown, from an example system, how the inputs to a system can be found from the error reduction ratio (ERR) analysis, a key concept of the NARMAX approach. The application of the NARMAX approach to the Dst (disturbance storm time) index and the electron fluxes at geostationary Earth orbit (GEO) are reviewed, revealing new insight into the physics of the system. The review of studies into the Dst index illustrate how the NARMAX approach is able to find a coupling function for the Dst index from data, which was then analytically justified from first principles. While the review of the electron flux demonstrates how NARMAX is able to reveal new insight into the physics of the acceleration and loss processes within the radiation belt.

Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles study

2015 ◽  
Vol 3 (15) ◽  
pp. 8002-8014 ◽  
Author(s):  
ShunLi Shang ◽  
Yi Wang ◽  
Pinwen Guan ◽  
William Y. Wang ◽  
Huazhi Fang ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
First Principles ◽  
First Principles Study ◽  
Comprehensive Properties ◽  
Insight Into

Current advances in first-principles methodology, comprehensive properties, quantitative bonding and non-polar nature were revealed for α-sulfur and validated by sulfides.

Insight into adsorption mechanism of water on tricalcium silicate from first-principles calculations

2022 ◽  
Vol 152 ◽  
pp. 106684
Author(s):  
Yunjian Li ◽  
Haoqiang Ai ◽  
Kin Ho Lo ◽  
Youchao Kong ◽  
Hui Pan ◽  
...  
Keyword(s):  
First Principles ◽  
Adsorption Mechanism ◽  
Tricalcium Silicate ◽  
First Principles Calculations ◽  
Insight Into
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