scholarly journals Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packing

2017 ◽  
Vol 19 (42) ◽  
pp. 28621-28629 ◽  
Author(s):  
María Pilar de Lara-Castells ◽  
Andreas W. Hauser ◽  
Alexander O. Mitrushchenkov ◽  
Ricardo Fernández-Perea
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Quantum Confinement ◽  
Close Packing ◽  
Hexagonal Close Packing ◽  
Deuterium Clusters

This study shows ab initio evidence for hexagonal close packing of D2 molecules in carbon nanotubes, with a = 3.6 Å and .

Study That Led to the Discovery of Rhombohedral Close Packing and Hexagonal Close Packing as Two New and Independent Lattices

2019 ◽  
Vol 11 (12) ◽  
pp. 1179-1186
Author(s):  
Mohammad Abdul Wahab ◽  
Khurram Mujtaba Wahab
Keyword(s):  
Ab Initio ◽  
Basal Plane ◽  
Close Packing ◽  
Hexagonal Close Packing ◽  
Hexagonal Close Packed

An ab-initio calculation of angles has been made between various directions on close packed basal plane with the tilted axis obtained by placing identical atoms on voids. Results obtained from simple calculations provide a lot of important information related to Rhombohedral Close Packed and Hexagonal Close Packed structures, effectively leading to their discovery as independent and genuine space lattices from close packed category of materials. En-route, we also propose a separate equation to calculate the angles between two given directions in the above mentioned close packed crystal systems. Modes of polytype formation in close packing of identical atoms is also briefly discussed.

scholarly journals HTR-PROTEUS Pebble Bed Experimental Program Cores 1, 1A, 2, and 3: Hexagonal Close Packing with a 1:2 Moderator-to-Fuel Pebble Ratio

2012 ◽  
Author(s):  
John D. Bess ◽  
Barbara H. Dolphin ◽  
James W. Sterbentz ◽  
Luka Snoj ◽  
Igor Lengar ◽  
...  
Keyword(s):  
Close Packing ◽  
Experimental Program ◽  
Hexagonal Close Packing ◽  
Pebble Bed

scholarly journals HTR-PROTEUS Pebble Bed Experimental Program Cores 1, 1A, 2, and 3: Hexagonal Close Packing with a 1:2 Moderator-to-Fuel Pebble Ratio

2013 ◽  
Author(s):  
John D. Bess ◽  
Barbara H. Dolphin ◽  
James W. Sterbentz ◽  
Luka Snoj ◽  
Igor Lengar ◽  
...  
Keyword(s):  
Close Packing ◽  
Experimental Program ◽  
Hexagonal Close Packing ◽  
Pebble Bed

ab initio study of the exo-hydrogenated single wall carbon nanotubes

2019 ◽  
Vol 552 ◽  
pp. 124-129 ◽  
Author(s):  
Rana.M. Arif Khalil ◽  
Fayyaz Hussain ◽  
Muhammad Imran ◽  
Anwar Manzoor Rana ◽  
G. Murtaza
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Wall Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Wall Carbon
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