Zobrazeno 1 - 10
of 223
pro vyhledávání: '"Islam, Md. Mahbubul"'
Autor:
Hamilton, Brenden W., Yoo, Pilsun, Sakano, Michael N., Islam, Md Mahbubul, Strachan, Alejandro
Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive as compared to electronic structure calculations and allow for simulations of millions
Externí odkaz:
http://arxiv.org/abs/2302.04906
The understanding of the material properties of the layered transition metal dichalcogenides (TMDs) is critical for their applications in structural composites. The data-driven machine learning (ML) based approaches are being developed in contrast to
Externí odkaz:
http://arxiv.org/abs/2208.05546
Autor:
Alvi, Sk Md Ahnaf Akif, Faiyad, Abrar, Munshi, Md Adnan Mahathir, Motalab, Mohammad, Islam, Md Mahbubul, Saha, Sourav
Gold-Silver (Au-Ag) core-shell nanostructures are gaining importance in stretchable electronics where high tensile and fatigue resistance is of paramount importance. This work proposes the parameterization of a modified embedded atomic model (MEAM) i
Externí odkaz:
http://arxiv.org/abs/2109.08196
Monolayer antimonene has drawn the attention of research communities due to its promising physical properties. But mechanical properties of antimonene is still largely unexplored. In this work, we investigate the mechanical properties and fracture me
Externí odkaz:
http://arxiv.org/abs/2009.08122
Autor:
Jamil, Md. Faiyaz, Jony, Md. Sagir A. M., Akash, Tanmay Sarkar, Subad, Rafsan A. S. I., Islam, Md Mahbubul
In this study, we report the mechanical properties and fracture mechanism of pre-cracked and defected InSe nanosheet samples using molecular dynamics (MD) simulations. We noticed that the failure of pre-cracked and defected InSe nanosheet is governed
Externí odkaz:
http://arxiv.org/abs/2006.07699
Publikováno v:
J Nanopart Res 22, 311 (2020)
We used molecular dynamics (MD) simulations to investigate the mechanical properties of cubic zinc blende (ZB) Si0.5Ge0.5 alloy nanowire (NW). Tersoff potential is employed to elucidate the effect of nanowire size, crystal orientations, and temperatu
Externí odkaz:
http://arxiv.org/abs/2004.13445
Publikováno v:
Computational Materials Science, Volume 186, 2021
The mechanical properties of Cadmium Selenide (CdSe) nanowire is an emerging issue due to its application in semiconductor and optoelectronics industries. In this paper, we conducted molecular dynamics (MD) simulations to investigate the temperature-
Externí odkaz:
http://arxiv.org/abs/2004.08023
Autor:
Jayan, Rahul, Islam, Md Mahbubul
The practical applications of lithium selenium (Li-Se) batteries are impeded primarily due to the dissolution and migration of higher order polyselenides (Li2Sen) into the electrolyte (known as shuttle effect) and inactive deposition of lower order p
Externí odkaz:
http://arxiv.org/abs/2003.08294
In this work, we report on the mechanical responses and fracture behavior of pristine and defected monolayer 1T-Titanium Disulfide using classical molecular dynamics simulation. We investigated the effect of temperature, strain rate and defect ratio
Externí odkaz:
http://arxiv.org/abs/2003.07804
Autor:
Jayan, Rahul, Islam, Md Mahbubul
The commercial realization of lithium-sulfur (Li-S) batteries is obstructed because of rapid capacity fading due to lithium polysulfides (LiPSs) dissolution into the electrolyte. In order to enhance the efficiency and performance of the Li-S batterie
Externí odkaz:
http://arxiv.org/abs/2001.05442