Toward edge engineering of two-dimensional layered transition-metal dichalcogenides by chemical vapor deposition

W Fu, M John, TD Maddumapatabandi, F Bussolotti… - ACS …, 2023 - ACS Publications
The manipulation of edge configurations and structures in atomically-thin transition metal
dichalcogenides (TMDs) for versatile functionalization has attracted intensive interest in …

Reliable machine learning potentials based on artificial neural network for graphene

A Singh, Y Li - Computational Materials Science, 2023 - Elsevier
Graphene is one of the most researched two dimensional (2D) material in the past two
decades due to its unique combination of mechanical, thermal and electrical properties …

A study of the mechanical performance of nanocomposites of polyethylene containing exfoliated boron nitride nanoplatelets

SN Wei, X Liu, J Yan, M Zhong, P Joseph… - Polymer …, 2022 - Wiley Online Library
Boron nitride nanoplatelets (BNNPs) are emerging as a potential candidate for developing
polymer‐based thermally conducting nanocomposites that have electrically insulating …

Machine Learning Potentials for Graphene

A Singh, Y Li - ASME International Mechanical …, 2022 - asmedigitalcollection.asme.org
Graphene has been one of the most researched material in the world for the past two
decades due to its unique combination of mechanical, thermal and electrical properties …

Templating Effect of MoSe2 on Crystallization of Polyethylene: A Molecular Dynamics Simulation Study

A Singh, M Sun, J Chen, B Li, Y Li - The Journal of Physical …, 2024 - ACS Publications
In today's world, 2D material-based nanocomposites have become a material system that
has an ever-growing technological and scientific importance. Such a hybrid material system …

2D materials guided interface in polymer based nanocomposites

A Singh, Y Li - AIAA SCITECH 2024 Forum, 2024 - arc.aiaa.org
Two dimensional materials based nanocomposite have gained rapid technological and
scientific importance in the last few decades. This hybrid material system is a combination of …

Feature Importance and Uncertainty Quantification of Machine Learning Model in Materials Science

Z Liu, A Singh, Y Li - … Engineering Congress and …, 2023 - asmedigitalcollection.asme.org
Abstract Machine learning has emerged as a powerful tool in material science for novel
materials discovery and development. Specifically, interatomic force field potentials have …

Understanding Governing Physical Mechanism of Bio-Inspired Nanostructured Antifouling Coating

A Singh, Y Li - ASME International Mechanical …, 2023 - asmedigitalcollection.asme.org
Nanostructured anti-fouling surface has been discovered on the wings of insects like
Cicada, which have the ability to kill bacteria on contact. The discovery of such …

Design and development of 2D materials based nanocomposites

A Singh - 2024 - ideals.illinois.edu
In the forefront of materials science, 2D materials have emerged as a captivating research
domain over the past two decades. Among these, graphene stands out as an exceptional 2D …

Bactericidal Effects of Micropillars: A Molecular Dynamics Study

A Singh, Y Li - ASME International Mechanical …, 2022 - asmedigitalcollection.asme.org
Previous studies have shown that cicada wings has the ability to kill the bacteria on contact.
Study of natural bactericidal surface in cicada wings has opened new dimensions of …