6 papers
Inverse design of heterodeformations for strain soliton networks in bilayer 2D materials
Md Tusher Ahmed, Nikhil Chandra Admal
Strain soliton networks strongly influence the structural and electronic properties of heterodeformed bilayer systems, yet their design remains challenging due to the high dimensio…
Multiscale analysis of large twist ferroelectricity and swirling dislocations in bilayer hexagonal boron nitride
Md Tusher Ahmed, Chenhaoyue Wang, Amartya S. Banerjee +1
With its atomically thin structure and intrinsic ferroelectric properties, heterodeformed bilayer hexagonal boron nitride (hBN) has gained prominence in next-generation non-volatil…
The structure and migration of twin boundaries in tetragonal -Sn: an application of machine learning based interatomic potentials
Ian Chesser, Mashroor Nitol, Esther C. Hessong +7
Although atomistic simulations have contributed significantly to our understanding of twin boundary structure and migration in metals and alloys with hexagonal close packed (HCP) c…
Energetics of the nucleation and glide of disconnection modes in symmetric tilt grain boundaries
Himanshu Joshi, Ian Chesser, Brandon Runnels +1
GBs evolve by the nucleation and glide of disconnections, which are dislocations with a step character. In this work, motivated by recent success in predicting GB properties such a…
Integrated Experiment and Simulation Co-Design: A Key Infrastructure for Predictive Mesoscale Materials Modeling
Shailendra P. Joshi, Ashley Bucsek, Darren C. Pagan +10
The design of structural & functional materials for specialized applications is being fueled by rapid advancements in materials synthesis, characterization, manufacturing, with sop…
Quantifying superlubricity of bilayer graphene from the mobility of interface dislocations
Md Tusher Ahmed, Moon-ki Choi, Harley T Johnson +1
Van der Waals (vdW) heterostructures subjected to interlayer twists or heterostrains demonstrate structural superlubricity, leading to their potential use as superlubricants in mic…