RT Journal Article
ID 7b67635c07e23450
A1 Zavodinsky, V. G. 
A1 Kulik, M. A. 
A1 Gnidenko, A. A. 
T1 QUANTUM-MECHANICAL SIMULATION OF THE ELASTIC PROPERTIES OF TITANIUM CARBIDE AND TUNGSTEN CARBIDE NANOPARTICLES
JF Nanoscience and Technology: An International Journal
JO NST
YR 2012
FD 2013-10-10
VO 3
IS 4
SP 283
OP 295
K1 titanium carbide
K1 tungsten carbide
K1 nanoparticles
K1 elastic modulus
K1 ab initio calculations
AB Using the method of the density functional theory combined with the method of pseudopotentials, the mechanical properties of titanium carbide nanoparticles having a cubic structure and tungsten carbide nanoparticles with cubic and trigonal geometry have been investigated. Equilibrium atomic configurations of nanoparticles have been obtained and the dependence of elastic modulus on linear deformation has been determined. The magnitude of the elastic modulus depends on the size and geometry of the particles studied. In general, the elastic modulus decreases as the particle size increases.
PB Begell House
LK https://www.dl.begellhouse.com/journals/11e12455066dab5d,43dc555c3ae2d76e,7b67635c07e23450.html