Dependence of the normal modes on the electronic structure of various phases of ice as calculated by ab initio methods

2003 ◽  
Vol 81 (1-2) ◽  
pp. 225-231 ◽  
Author(s):  
S Jenkins ◽  
S R Kirk ◽  
A S Côté ◽  
D K Ross ◽  
I Morrison
Keyword(s):  
Electronic Structure ◽  
Density Distribution ◽  
Charge Density ◽  
Ab Initio ◽  
Normal Modes ◽  
Cost Effective ◽  
Ab Initio Methods ◽  
Charge Density Distribution ◽  
The Creation

The charge-density distribution in various phases of ice is used to explore the information that can be obtained about the preferred directions of motion of atoms so as to investigate the possibility of the creation of more efficient and computationally cost-effective dynamical matrices. PACS Nos.: 63.20Dj, 31.90+s, 71.10-w

Characterization of the B⋯π-system interaction via topology of the experimental charge density distribution in the crystal of 3-chloro-7α-phenyl-3-borabicyclo[3.3.1]nonane

2004 ◽  
Vol 384 (1-3) ◽  
pp. 40-44 ◽  
Author(s):  
Konstatin A Lyssenko ◽  
Mikhail Yu Antipin ◽  
Mikhail E Gurskii ◽  
Yurii N Bubnov ◽  
Anna L Karionova ◽  
...  
Keyword(s):  
Density Distribution ◽  
Charge Density ◽  
Charge Density Distribution ◽  
Experimental Charge Density

Simulation of blast waves with tailored explosive charges

1985 ◽  
Vol 158 ◽  
pp. 137-152
Author(s):  
M. Sanai ◽  
H. E. Lindberg ◽  
J. D. Colton
Keyword(s):  
Shock Tube ◽  
Charge Density ◽  
Cost Effective ◽  
Development Programme ◽  
Blast Waves ◽  
Charge Density Distribution ◽  
Test Conditions ◽  
Order Of Magnitude ◽  
Explosive Charges ◽  
Simulation Time

We have developed a compact and cost-effective shock tube to simulate the static and dynamic pressures of blast waves. The shock tube is open at both ends and is driven by high explosives distributed over a finite length of the tube near one end. The overall charge length is determined by the simulation time of interest, and the charge-density distribution is tailored to produce the pressure-waveform shape desired. For the shock tube to simulate a typical blast wave, the charge density must be highest at the charge front (closest to the test section) and gradually reduced towards the back. The resulting shock tube is an order of magnitude shorter than a conventional dynamic airblast simulator (DABS) in which concentrated explosives are used to drive the shock.Tailored charges designed using this method were built and tested in a simulation development programme sponsored by the U.S. Defense Nuclear Agency (DNA). The pressures measured for several charge distributions agreed very well with SRI's PUFF hydrocode computations and demonstrated the feasibility of the compact simulator under realistic test conditions.

Experimental charge density distribution and its correlation to structural and optical properties of Sm 3+ doped Nd 2 O 3 nanophosphors

2017 ◽  
Vol 35 (11) ◽  
pp. 1102-1114 ◽  
Author(s):  
Morris Marieli Antoinette ◽  
S. Israel ◽  
G. Sathya ◽  
Arlin Jose Amali ◽  
John L. Berchmans ◽  
...  
Keyword(s):  
Optical Properties ◽  
Density Distribution ◽  
Charge Density ◽  
Structural And Optical Properties ◽  
Charge Density Distribution ◽  
Experimental Charge Density

Correction: Experimental and theoretical charge density distribution in Pigment Yellow 101

2015 ◽  
Vol 17 (9) ◽  
pp. 6667-6667
Author(s):  
Jonathan J. Du ◽  
Linda Váradi ◽  
Jinlong Tan ◽  
Yiliang Zhao ◽  
Paul W. Groundwater ◽  
...  
Keyword(s):  
Density Distribution ◽  
Charge Density ◽  
Chem Phys ◽  
Charge Density Distribution ◽  
Phys Chem Chem Phys

Correction for ‘Experimental and theoretical charge density distribution in Pigment Yellow 101’ by Jonathan J. Du et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c4cp04302b.

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