79 citations · 206 across the 7 of their papers we have counts for
7 papers
Artificial neural network molecular mechanics of iron grain boundaries
Yoshinori Shiihara, Ryosuke Kanazawa, Daisuke Matsunaka +4
This study reports grain boundary (GB) energy calculations for 46 symmetric-tilt GBs in alpha-iron using molecular mechanics based on an artificial neural network (ANN) potential a…
Adsorption property of fatty acid on iron surface with 3(111) grain boundary
Ivan Lobzenko, Yoshinori Shiihara, Yoshitaka Umeno +1
Reducing the coefficient of boundary friction on steel surfaces is one of key technologies to improve the efficiency of machines such as automotive engines. It has been shown that…
Local stress analysis in CuZr metallic glass under shear strain by means of first principle modeling
I. Lobzenko, Y. Shiihara, T. Iwashita
Metallic glasses deform elastically under stress. However, the atomic-level origin of elastic properties of metallic glasses remain unclear. In this paper using {\em ab initio} mol…
Graphene Nanoribbon as an Elastic Damper
Iman Evazzade, Ivan Lobzenko, Danial Saadatmand +4
Heterostructures composed of dissimilar two-dimensional nanomaterials can have nontrivial physical and mechanical properties promising for many applications. Interestingly, in some…
Energy transfer in strained graphene assisted by discrete breathers excited by external ac driving
Iman Evazzade, Ivan P. Lobzenko, Elena A. Korznikova +3
In the present molecular dynamics study, external ac driving is used at frequencies outside the phonon spectrum to excite gap DBs in uniformly strained graphene nanoribbon. Harmoni…
Electric polarization of magnetic domain walls in magnetoelectrics
I. P. Lobzenko, P. P. Goncharov, N. V. Ter-Oganessian
Two prominent magnetoelectrics MnWO and CuO possess low-temperature commensurate paraelectric magnetically ordered phase. Here using Monte Carlo simulations we show that the wa…
Properties of discrete breathers in graphane from ab initio simulations
G. M. Chechin, S. V. Dmitriev, I. P. Lobzenko +1
A density functional theory (DFT) study of the discrete breathers (DBs) in graphane (fully hydrogenated graphene) was performed. To the best of our knowledge, this is the first dem…