Molecular dynamics study of ice crystallization in shear flows and salt solutions

Ice crystallization is a ubiquitous phenomenon in nature and plays an important role in many fields of science (e.g., cloud formation, climate change, cryobiology) and industry (e.g., air transport, food preservation, operation of infrastructure). Despite extensive efforts in experimental and computational studies enriching our understanding of ice crystallization at a molecular level, the detailed mechanisms such as ice formation under a water flow, remain elusive and require further exploration. Aiming at offering unique insights into the microscopic aspects of ice crystallization, molecular dynamics (MD) simulations are employed in this thesis to study how shear flows affect homogeneous ice nucleation and ice growth. In addition, the microscopic mechanisms of ion rejection phenomena...[ Read more ]