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Computational Materials Design for Exercising Control Over Ice Formation Zachariah Vicars
- Format:
- Book
- Thesis/Dissertation
- Author/Creator:
- Vicars, Zachariah, author.
- Language:
- English
- Subjects (All):
- Statistical physics.
- Chemical engineering.
- Materials science.
- Thermodynamics.
- 0794.
- 0217.
- 0542.
- 0348.
- Local Subjects:
- Statistical physics.
- Chemical engineering.
- Materials science.
- Thermodynamics.
- 0794.
- 0217.
- 0542.
- 0348.
- Physical Description:
- 1 electronic resource (132 pages)
- Contained In:
- Dissertations Abstracts International 86-12B
- Place of Publication:
- Ann Arbor : ProQuest Dissertations and Theses, 2025
- Language Note:
- English
- Summary:
- The nucleation and adhesion of ice to solid surfaces plays an important role in a wide range of contexts, from serving as nuclei for clouds in the upper atmosphere to forming on the surfaces of aircraft and ships, reducing their performance. Controlling the formation of ice using additives or novel coatings has, consequently, been a long-standing pursuit in materials science. Here, we employ molecular simulations to explore the nano-scale detail of ice formation on a variety of surfaces and determine what molecular features are necessary to create surfaces that display extreme ice-phobicity and ice-philicity by modulating lattice match, surface polarity, and surface attractions. We further extend these results to quantify surface ice-philicity on chemically and topographically complex surfaces by focusing on the thermodynamics of interfacial water molecules. These results serve as a foundation for future molecular studies of ice formation in all sorts of environments, with the goal of designing materials that can reliably control the formation of ice
- Notes:
- Source: Dissertations Abstracts International, Volume: 86-12, Section: B.
- Advisors: Patel, Amish J. Committee members: Lee, Daeyeon; Riggleman, Robert; Yang, Shu
- Ph.D. University of Pennsylvania 2025
- Local Notes:
- School code: 0175
- ISBN:
- 9798280758070
- Access Restriction:
- Restricted for use by site license
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