3 papers
cond-mat.soft2025
Robustness of classical nucleation theory to chemical heterogeneity of crystal nucleating substrates
Fernanda Sulantay Vargas, Sarwar Hussain, Amir Haji-Akbari
Heterogeneous nucleation is a process wherein extrinsic impurities facilitate freezing by lowering nucleation barriers and constitutes the dominant mechanism for crystallization in…
cond-mat.stat-mech2025
Secondary finite-size effects and multi-barrier free energy landscapes in molecular simulations of hindered ion transport
Omar Khalifa, Brian A. Shoemaker, Amir Haji-Akbari
Ion transport through nanoscale channels and pores is pivotal to numerous natural processes and industrial applications. Experimental investigation of the kinetics and mechanisms o…
physics.chem-ph2025
The Impact of Hydration Shell Inclusion and Chain Exclusion in the Efficacy of Reaction Coordinates for Homogeneous and Heterogeneous Ice Nucleation
Kimia Sinaeian, Amir Haji-Akbari
Ice nucleation plays a pivotal role in many natural and industrial processes, and molecular simulations play have proven vital in uncovering its kinetics and mechanisms. A fundamen…