72 citations · 252 across the 10 of their papers we have counts for
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Nanomechanics of Antimonene Allotropes
Tanmay Sarkar Akash, Rafsan A. S. I. Subad, Pritom Bose +1
Monolayer antimonene has drawn the attention of research communities due to its promising physical properties. But mechanical properties of antimonene is still largely unexplored.…
Deformation mechanisms of Inconel-718 at nanoscale by molecular dynamics
Abrar Faiyad, Md. Adnan Mahathir Munshi, Sourav Saha
Ni-based superalloy Inconel-718 is ubiquitous in metal 3D printing where high cooling rate and thermal gradient are present. These manufacturing conditions are conducive to high in…
Understanding Mechanical Properties and Failure Mechanism of Germanium-Silicon Alloy at Nanoscale
Md. Habibur Rahman, Emdadul Haque Chowdhury, Md Mahbubul Islam
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 eluc…
Atomistic Investigation on the Mechanical Properties and Failure Behavior of Zinc Blende Cadmium Selenide (CdSe) Nanowire
Emdadul Haque Chowdhury, Md. Habibur Rahman, Md Mahbubul Islam
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 conduct…
Functionalized MXenes as Effective Polyselenides Immobilizer for Lithium-Selenium Batteries: A Density Functional Theory (DFT) Study
Rahul Jayan, Md Mahbubul Islam
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 electrol…
First-Principles Investigation of Anchoring Behavior of WS2 and WSe2 for Lithium-Sulfur Batteries
Rahul Jayan, Md Mahbubul Islam
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. I…