scholarly journals Nucleon-pair coupling scheme in Elliott's SU(3) model

2021 ◽  
Vol 103 (2) ◽  
Author(s):  
G. J. Fu ◽  
Calvin W. Johnson ◽  
P. Van Isacker ◽  
Zhongzhou Ren
Keyword(s):  
Coupling Scheme ◽  
Nucleon Pair ◽  
Pair Coupling

scholarly journals Coherence features of the spin-aligned neutron–proton pair coupling scheme

2012 ◽  
Vol T150 ◽  
pp. 014031 ◽  
Author(s):  
C Qi ◽  
J Blomqvist ◽  
T Bäck ◽  
B Cederwall ◽  
A Johnson ◽  
...  
Keyword(s):  
Coupling Scheme ◽  
Proton Pair ◽  
Pair Coupling

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

2019 ◽  
Author(s):  
Asmus Ougaard Dohn ◽  
Elvar Jónsson ◽  
Hannes Jonsson
Keyword(s):  
Density Functional Theory ◽  
Liquid Water ◽  
Density Functional ◽  
Water Clusters ◽  
Theory Model ◽  
Coupling Scheme ◽  
Functional Theory ◽  
Total Polarization ◽  
Electrostatic Embedding ◽  
Polarizable Embedding

The manuscript analyzes the accuracy of our recently developed reciprocal polarizable embedding scheme, where a density functional theory model of the QM region is coupled to a dipole- and quadrupole polarizable water potential of the MM region. We present calculations of water clusters and liquid water where we analyze the energy, atomic forces and total polarization to demonstrate that artifacts in energy and polarization introduced by the QM/MM coupling are small and well-behaved. Furthermore, our methodology improves the consistency of the structure of optimized water hexamer geometries when compared to results obtained with models that neglect polarization. Additionally, the manuscript provides evidence that our coupling scheme eliminates artifacts in the structure of liquid water obtained with simpler electrostatic embedding models.

SKETCH-N/ATHLET steady-state and dynamic coupling scheme verification on Kalinin-3 benchmark results

Kerntechnik ◽  
2020 ◽  
Vol 85 (4) ◽  
pp. 265-273 ◽  
Author(s):  
V. I. Romanenko ◽  
V. G. Zimin ◽  
S. P. Nikonov ◽  
G. V. Tikhomirov ◽  
Y. Perin ◽  
...  
Keyword(s):  
Steady State ◽  
Coupling Scheme ◽  
Dynamic Coupling

Convenient Synthesis of (Z)-7- and (E)-9-dodecene-1-yl Acetate, Components of Some Lepidoptera Insect Sex Pheromone

2017 ◽  
Vol 68 (1) ◽  
pp. 180-185
Author(s):  
Adriana Maria Andreica ◽  
Lucia Gansca ◽  
Irina Ciotlaus ◽  
Ioan Oprean
Keyword(s):  
Sex Pheromone ◽  
Coupling Reaction ◽  
Coupling Scheme ◽  
Lithium Aluminium Hydride ◽  
Terminal Alkyne ◽  
Mercury Derivative ◽  
Lithium Aluminium ◽  
Convenient Synthesis ◽  
Practical Synthesis ◽  
Insect Sex

Were developed new and practical synthesis of (Z)-7-dodecene-1-yl acetate and (E)-9-dodecene-1-yl acetate. The routes involve, as the key step, the use of the mercury derivative of the terminal-alkyne w-functionalised as intermediate. The synthesis of (Z)-7-dodecene-1-yl acetate was based on a C6+C2=C8 and C8+C4=C12 coupling scheme, starting from 1,6-hexane-diol. The first coupling reaction took place between 1-tert-butoxy-6-bromo-hexane and lithium acetylide-ethylendiamine complex obtaining 1-tert-butoxy-oct-7-yne, which is transformed in di[tert-butoxy-oct-7-yne]mercury. The mercury derivative was directly lithiated and then alkylated with 1-bromobutane obtaining 1-tert-butoxy-dodec-7-yne. After acetylation and reduction with lithium aluminium hydride of 7-dodecyne-1-yl acetate gave (Z)-7-dodecene-1-yl acetate with 96 % purity. The synthesis of (E)-9-dodecene-1-yl acetate was based on a C8+C2=C10 and C10+C2=C12 coupling scheme, starting from 1,8-octane-diol. The first coupling reaction took place between 1-tert-butoxy-8-bromo-octane and lithium acetylide-ethylendiamine complex obtaining 1-tert-butoxy-dec-9-yne, which is transformed in di[tert-butoxy-dec-9-yne]mercury. The mercury derivative was directly lithiated and then alkylated with 1-bromoethane obtaining 1-tert-butoxy-dodec-9-yne. After reduction with lithium aluminium hydride of 1-tert-butoxy-(E)-9-dodecene and acetylation was obtained (E)-9-dodecene-1-yl acetate with 97 % purity.

scholarly journals Design of large mode area all-solid anti-resonant fiber for high-power lasers

2021 ◽  
Vol 9 ◽  
Author(s):  
Xin Zhang ◽  
Shoufei Gao ◽  
Yingying Wang ◽  
Wei Ding ◽  
Pu Wang
Keyword(s):  
High Power ◽  
Single Mode ◽  
Higher Order ◽  
Coupling Scheme ◽  
Resonant Coupling ◽  
Higher Order Modes ◽  
Mode Loss ◽  
Fiber Mode ◽  
Power Needs ◽  
Mode Area

Abstract High-power fiber lasers have experienced a dramatic development over the last decade. Further increasing the output power needs an upscaling of the fiber mode area, while maintaining a single-mode output. Here, we propose an all-solid anti-resonant fiber (ARF) structure, which ensures single-mode operation in broadband by resonantly coupling higher-order modes into the cladding. A series of fibers with core sizes ranging from 40 to 100 μm are proposed exhibiting maximum mode area exceeding 5000 μm2. Numerical simulations show this resonant coupling scheme provides a higher-order mode (mainly TE01, TM01, and HE21) suppression ratio of more than 20 dB, while keeping the fundamental mode loss lower than 1 dB/m. The proposed structure also exhibits high tolerance for core index depression.

Extending the temperature sensing range using Eu3+ luminescence up to 865 K in a single crystal of EuPO4

2019 ◽  
Vol 21 (29) ◽  
pp. 16329-16336 ◽  
Author(s):  
Suchinder K. Sharma ◽  
Thomas Köhler ◽  
Jan Beyer ◽  
Margret Fuchs ◽  
Richard Gloaguen ◽  
...  
Keyword(s):  
Single Crystal ◽  
Temperature Sensing ◽  
Single Crystal Sample ◽  
Coupling Scheme ◽  
Excitation Wavelength ◽  
Crystal Sample ◽  
Sensing Range

Extending the temperature sensing range up to 865 K using an appropriate choice of excitation wavelength and coupling scheme in a single crystal sample of EuPO4.

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