Nonuniform Elastic Deformation of Nanofilms Formed from Nial and Feal Alloys

Deformation behavior of perfect and imperfect nanomaterials made of intermetallic compounds with bcc lattice

“…Thus, it has been shown recently in a number of works that the similar with DNA deformation behavior can be observed in NiAl and FeAl intermetallic nanomaterials [25,27,[48][49][50].The current paper reviews the works devoted to molecular dynamics (MD) study of elastic deformation behavior of NiAl and FeAl nanofilms and nanowires using the atomic / molecular massively parallel simulator (LAMMPS) program package [51].…”

“…Moreover, nanomaterials having the non-convex region in P(ε) curves and thus demonstrating the thermodynamic instability and negative rigidity during deformation can be affected by many factors, such as temperature [25,26], structure defects [27], etc. The possibility of the creation of thermodynamically stable composite materials with the use of inclusions with a negative stiffness has been demonstrated in [28,29].…”

Penetration of Particles through Multi-Barrier Systems

“…Molecular dynamics is widely used in studies of physical processes in nanoporous structures [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15], as well as in studying mechanical behaviour of nanoporous crystals [18][19][20][21][22]. However, for problems associated with passage of molecules through a barrier, wave dynamics appears to be more effective [23,24].…”

Interaction Between Hydrogen Molecules and a Closed Nanotube

“…The results of the comparative analysis of methane sorption by three different types of carbon nano-porous media (nanotubes, carbon fibre and silicon carbide) are given in the work [7]. In general, grapheme-like structures cause considerable interest [8][9][10][11][12][13][14] and for the purpose of studying them, classical approaches of molecular [15][16][17][18][19][20][21][22][23][24][25][26][27][28] and wave dynamics [29][30][31] are applied.…”