[HTML][HTML] Computational characterization of thermal and mechanical properties of single and bilayer germanene nanoribbon

MH Rahman, EH Chowdhury, DA Redwan… - Computational Materials …, 2021 - Elsevier
Two-dimensional germanene has provided a cornucopia of new functionalities in the field of
nanotechnology owing to its remarkable electronic and thermoelectric attributes. The robust …

Defect evolution induced by low-dose neutron irradiation and elastoplastic deformation mechanism of indium-doped GaN materials

T Li, F Shang - Ceramics International, 2024 - Elsevier
The low-dose neutron irradiation defect evolution and nanoindentation response of indium
(In)-doped gallium nitride (GaN) materials are investigated in this work, which is of great …

Wear behaviors and plastic deformation mechanisms induced by nano-grinding of indium-doped gallium nitride single crystal

T Li, P Zhao, F Shang - Tribology International, 2024 - Elsevier
The wear behaviors and plastic deformation mechanisms of indium (In)-doped gallium
nitride (GaN) induced by nano-grinding are investigated in this work, which is of great …

Molecular dynamics simulation of cubic InxGa (1-x) N layers growth by molecular beam epitaxy

C Camas, JE Conde, MA Vidal, H Vilchis - Computational Materials Science, 2021 - Elsevier
The epitaxial growth of cubic In x Ga 1-x N layers on GaN (0 0 1) buffer substrates is
investigated using molecular dynamics simulation. The substrate temperature, flux ratio of In …

Study of amorphous boron carbide (a-BxC) materials using Molecular Dynamics (MD) and Hybrid Reverse Monte Carlo (HRMC)

R Khadka, N Baishnab, G Opletal, R Sakidja - Journal of Non-Crystalline …, 2020 - Elsevier
We present a computational study of amorphous boron carbide (aB x C) models using
Molecular Dynamics (MD) studied with Stillinger-Weber (SW) and ReaxFF potential. The …

Radiation-induced defects in the InGaN/GaN superlattice structure

Y Li, S Jiang, H He, X Wang - Physica Scripta, 2024 - iopscience.iop.org
With the molecular dynamics method, this paper investigates radiation-induced defects in
the In 0.16 Ga 0.84 N/GaN superlattice structure (SLS) and the In 0.04 Ga 0.96 N/GaN SLS …

Effects of the growth parameters on the surface quality of InN films

P Su, J Pei, J Luo, G Zheng, Y Sun, L Liu - Journal of Vacuum Science …, 2024 - pubs.aip.org
On the basis of the improved Stillinger–Weber potential model, the growth process of an
indium nitride (InN) film on a gallium nitride (GaN) substrate has been simulated by …

[HTML][HTML] Comparative studies of interatomic potentials for modeling point defects in wurtzite GaN

H Lei, J Chen, P Ruterana - AIP Advances, 2023 - pubs.aip.org
In this paper, a new version of the Stillinger–Weber (SW) potential for wurtzite GaN is
presented, by which we systematically explore the structural and thermodynamical …

[HTML][HTML] Epitaxial Growth of Semiconductor Alloys by Computational Modeling

H Vilchis, C Camas, J Conde - 2023 - intechopen.com
The research on semiconductor materials has attracted significant interest of researchers in
the last few decades, due to their applications in numerous industrial sectors as well as in …

Molecular dynamics simulation of Cu-Se interactions for CIGS solar cells growth process

C Rodríguez-Vázquez, C Camas… - 2021 18th …, 2021 - ieeexplore.ieee.org
In this work, we analyzed the interactions between copper and selenium (Cu-Se) atoms in
the second stage of a co-evaporation growth process of copper indium gallium diselenide …