Enhanced silicon nitride etching in the presence of F atoms: Quantum chemistry simulation

2018 ◽  
Vol 36 (6) ◽  
pp. 061301 ◽  
Author(s):  
Yuri V. Barsukov ◽  
Vladimir Volynets ◽  
Anton A. Kobelev ◽  
Nikolai A. Andrianov ◽  
Alexander V. Tulub ◽  
...  
Keyword(s):  
Silicon Nitride ◽  
Quantum Chemistry ◽  
Quantum Chemistry Simulation

scholarly journals Chemical basis of Trotter-Suzuki errors in quantum chemistry simulation

2015 ◽  
Vol 91 (2) ◽  
Author(s):  
Ryan Babbush ◽  
Jarrod McClean ◽  
Dave Wecker ◽  
Alán Aspuru-Guzik ◽  
Nathan Wiebe
Keyword(s):  
Quantum Chemistry ◽  
Chemical Basis ◽  
Quantum Chemistry Simulation

Quantum Chemistry Simulation of Biological Molecules

2020 ◽  
Author(s):  
Eudenilson Albuquerque ◽  
Umberto Laino Fulco ◽  
Ewerten Caetano ◽  
Valder Freire
Keyword(s):  
Quantum Chemistry ◽  
Biological Molecules ◽  
Quantum Chemistry Simulation

Potassium Sulfate Nanoparticles in Water Solutions: Experiment and Quantum Chemistry Simulation

2014 ◽  
Vol 29 ◽  
pp. 7-12
Author(s):  
Marat Myrzakhmet ◽  
Kurmangali Baimagambetov ◽  
Aliya Bekturganova ◽  
Gani Kumisbek ◽  
Seitzhan Yessengali
Keyword(s):  
Quantum Chemistry ◽  
Spectral Range ◽  
Potassium Sulfate ◽  
Supersaturated Solution ◽  
Wide Spectral Range ◽  
Small Crystals ◽  
Before And After ◽  
Singly Charged ◽  
Quantum Chemistry Simulation ◽  
Thallium Ions

Pure potassium sulfate single crystals are transparent in a wide spectral range up to 155 nm and do not show fluorescence and absorption over a wide spectral range of 200-800 nm before and after X-ray irradiation of the samples. The centers of luminescence in thallium-doped potassium sulfate crystals showed a maximum absorption 216 nm and emission 285 nm at room temperature. These centers are singly charged thallium ions. It is interesting to research the optical properties with decreasing size of crystals (size effects). For this, we used a supersaturated aqueous solution of potassium sulfate, in which the crystallization begins. The results of computer simulations using Scigress quantum chemistry package show that the occurrence of macromolecules in a cooled supersaturated solution should result in an increased absorption. In supercooled saturated aqueous solutions of ionic crystals nucleation occurs. A decrease of transparency of saturated solutions with decreasing temperature is clearly seen. This is due to absorption and scattering in the medium with the growing small crystals in the solution.

scholarly journals Faster quantum chemistry simulation on fault-tolerant quantum computers

2012 ◽  
Vol 14 (11) ◽  
pp. 115023 ◽  
Author(s):  
N Cody Jones ◽  
James D Whitfield ◽  
Peter L McMahon ◽  
Man-Hong Yung ◽  
Rodney Van Meter ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Fault Tolerant ◽  
Quantum Computers ◽  
Quantum Chemistry Simulation

scholarly journals Analogue quantum chemistry simulation

Nature ◽  
2019 ◽  
Vol 574 (7777) ◽  
pp. 215-218 ◽  
Author(s):  
Javier Argüello-Luengo ◽  
Alejandro González-Tudela ◽  
Tao Shi ◽  
Peter Zoller ◽  
J. Ignacio Cirac
Keyword(s):  
Quantum Chemistry ◽  
Quantum Chemistry Simulation

Quantum chemistry simulation on quantum computers: theories and experiments

2012 ◽  
Vol 14 (26) ◽  
pp. 9411 ◽  
Author(s):  
Dawei Lu ◽  
Boruo Xu ◽  
Nanyang Xu ◽  
Zhaokai Li ◽  
Hongwei Chen ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Quantum Computers ◽  
Quantum Chemistry Simulation

Lattice Imaging of Grain Boundaries in Ceramics

1977 ◽  
Vol 35 ◽  
pp. 114-115
Author(s):  
D. R. Clarke ◽  
G. Thomas
Keyword(s):  
Mechanical Properties ◽  
High Temperature ◽  
Silicon Nitride ◽  
Grain Boundaries ◽  
High Temperature Strength ◽  
Current Interest ◽  
Lattice Imaging ◽  
Special Significance ◽  
Structural Applications ◽  
Refractory Ceramics

Grain boundaries have long held a special significance to ceramicists. In part, this has been because it has been impossible until now to actually observe the boundaries themselves. Just as important, however, is the fact that the grain boundaries and their environs have a determing influence on both the mechanisms by which powder compaction occurs during fabrication, and on the overall mechanical properties of the material. One area where the grain boundary plays a particularly important role is in the high temperature strength of hot-pressed ceramics. This is a subject of current interest as extensive efforts are being made to develop ceramics, such as silicon nitride alloys, for high temperature structural applications. In this presentation we describe how the techniques of lattice fringe imaging have made it possible to study the grain boundaries in a number of refractory ceramics, and illustrate some of the findings.

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