Fast Calculation of Cohesive Energy for Large Diamond Nanoparticles: The Orbital-Free Simulation

2021 ◽  
Vol 02 (01) ◽  
Author(s):  
Zavodinsky V ◽  
Gorkusha O
Keyword(s):  
Cohesive Energy ◽  
Fast Calculation ◽  
Diamond Nanoparticles ◽  
Orbital Free ◽  
Large Diamond

scholarly journals The Physical-Mechanical and Electrical Properties of Cast Aluminum-Based Alloys Reinforced with Diamond Nanoparticles

2015 ◽  
Vol 57 (11) ◽  
pp. 1485-1490 ◽  
Author(s):  
S. A. Vorozhtsov ◽  
А. P. Khrustalyov ◽  
D. G. Eskin ◽  
S. N. Кulkov ◽  
N. Alba-Baena
Keyword(s):  
Electrical Properties ◽  
Cast Aluminum ◽  
Diamond Nanoparticles ◽  
Mechanical And Electrical Properties

scholarly journals A Novel High Performance Discrete Flux Integrator for Control Algorithms of Fast Rotating AC Machines

2021 ◽  
Vol 11 (5) ◽  
pp. 2150
Author(s):  
Claudio Rossi ◽  
Alessio Pilati ◽  
Marco Bertoldi
Keyword(s):  
High Performance ◽  
Permanent Magnets ◽  
Machine Model ◽  
Ac Machines ◽  
Fast Calculation ◽  
Calculation Time ◽  
Digital Implementation ◽  
Rotating Speed ◽  
Interior Permanent Magnets ◽  
Accuracy Performance

This paper deals with the digital implementation of a motor control algorithm based on a unified machine model, thus usable with every traditional electric machine type (induction, brushless with interior permanent magnets, surface permanent magnets or pure reluctance). Starting from the machine equations in matrix form in continuous time, the paper exposes their discrete time transformation, suitable for digital implementation. Since the solution of these equations requires integration, the virtual division of the calculation time in sub-intervals is proposed to make the calculations more accurate. Optimization of this solver enables faster runs and higher precision especially when high rotating speed requires fast calculation time. The proposed solver is presented at different implementation levels, and its speed and accuracy performance are compared with standard solvers.

To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC

2021 ◽  
Vol 42 (11) ◽  
pp. 787-792
Author(s):  
Alexei Nikitin ◽  
Vladislava Milchevskaya ◽  
Alexander Lyubartsev
Keyword(s):  
Free Energy ◽  
Solvation Free Energy ◽  
Fast Calculation

scholarly journals Dielectric Spectroscopy Analysis of Liquid Crystals Recovered from End-of-Life Liquid Crystal Displays

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2873
Author(s):  
Ana Barrera ◽  
Corinne Binet ◽  
Frédéric Dubois ◽  
Pierre-Alexandre Hébert ◽  
Philippe Supiot ◽  
...  
Keyword(s):  
Liquid Crystals ◽  
End Of Life ◽  
Room Temperature ◽  
Liquid Crystal Displays ◽  
Dielectric Anisotropy ◽  
Frequency Range ◽  
Spectroscopy Analysis ◽  
Diamond Nanoparticles ◽  
Nematic Phases ◽  
Universal Law

In the present work, the dielectric properties of recycled liquid crystals (LCs) (non-purified, purified, and doped with diamond nanoparticles at 0.05, 0.1, and 0.2 wt%) were investigated. The studied LC mixtures were obtained from industrial recycling of end-of-life LC displays presenting mainly nematic phases. Dielectric measurements were carried out at room temperature on a frequency range from 0.1 to 106 Hz using an impedance analyzer. The amplitude of the oscillating voltage was fixed at 1 V using cells with homogeneous and homeotropic alignments. Results show that the dielectric anisotropy of all purified samples presents positive values and decreases after the addition of diamond nanoparticles to the LC mixtures. DC conductivity values were obtained by applying the universal law of dielectric response proposed by Jonscher. In addition, conductivity of the doped LC mixtures is lower than that of the undoped and non-purified LC.

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