Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips

We have performed extensive molecular dynamics simulations of nanoindentation of an ice slab with model atomic force microscopy (AFM) tips. We found the presence of a quasi-liquid layer between the tip and the ice for all explored indentation depths. For the smallest tip studied (R = 0.55 nm), the f...

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Detalles Bibliográficos
Autor principal:	Corti, Horacio Roberto
Publicado:	2015
Materias:	Atomic force microscopy Free energy Melting Molecular dynamics Monolayers Atomic force microscopy tips Crystalline solids Force Curve Indentation depth Layer by layer Molecular dynamics simulations Monolayer thickness Quasiliquid layers Ice
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_19327447_v119_n48_p27118_GelmanConstantin http://hdl.handle.net/20.500.12110/paper_19327447_v119_n48_p27118_GelmanConstantin
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_19327447_v119_n48_p27118_GelmanConstantin
record_format	dspace
spelling	paper:paper_19327447_v119_n48_p27118_GelmanConstantin2023-06-08T16:31:38Z Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips Corti, Horacio Roberto Atomic force microscopy Free energy Melting Molecular dynamics Monolayers Atomic force microscopy tips Crystalline solids Force Curve Indentation depth Layer by layer Molecular dynamics simulations Monolayer thickness Quasiliquid layers Ice We have performed extensive molecular dynamics simulations of nanoindentation of an ice slab with model atomic force microscopy (AFM) tips. We found the presence of a quasi-liquid layer between the tip and the ice for all explored indentation depths. For the smallest tip studied (R = 0.55 nm), the force versus indentation depth curves present peaks related to the melting of distinct monolayers of ice, and we were able to calculate the work (free energy) associated with it. For a larger tip (R = 1.80 nm) having a size not commensurate with the average monolayer thickness, we did not find a clear structure in force curves. This work can help guide the interpretation of experimental AFM indentation of ice and other crystalline solids. More specifically, it provides guidelines for tip sizes where layer-by-layer melting can be achieved and for the order of magnitude of forces that need to be detected. © 2015 American Chemical Society. Fil:Corti, H.R. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2015 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_19327447_v119_n48_p27118_GelmanConstantin http://hdl.handle.net/20.500.12110/paper_19327447_v119_n48_p27118_GelmanConstantin
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Atomic force microscopy Free energy Melting Molecular dynamics Monolayers Atomic force microscopy tips Crystalline solids Force Curve Indentation depth Layer by layer Molecular dynamics simulations Monolayer thickness Quasiliquid layers Ice
spellingShingle	Atomic force microscopy Free energy Melting Molecular dynamics Monolayers Atomic force microscopy tips Crystalline solids Force Curve Indentation depth Layer by layer Molecular dynamics simulations Monolayer thickness Quasiliquid layers Ice Corti, Horacio Roberto Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips
topic_facet	Atomic force microscopy Free energy Melting Molecular dynamics Monolayers Atomic force microscopy tips Crystalline solids Force Curve Indentation depth Layer by layer Molecular dynamics simulations Monolayer thickness Quasiliquid layers Ice
description	We have performed extensive molecular dynamics simulations of nanoindentation of an ice slab with model atomic force microscopy (AFM) tips. We found the presence of a quasi-liquid layer between the tip and the ice for all explored indentation depths. For the smallest tip studied (R = 0.55 nm), the force versus indentation depth curves present peaks related to the melting of distinct monolayers of ice, and we were able to calculate the work (free energy) associated with it. For a larger tip (R = 1.80 nm) having a size not commensurate with the average monolayer thickness, we did not find a clear structure in force curves. This work can help guide the interpretation of experimental AFM indentation of ice and other crystalline solids. More specifically, it provides guidelines for tip sizes where layer-by-layer melting can be achieved and for the order of magnitude of forces that need to be detected. © 2015 American Chemical Society.
author	Corti, Horacio Roberto
author_facet	Corti, Horacio Roberto
author_sort	Corti, Horacio Roberto
title	Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips
title_short	Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips
title_full	Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips
title_fullStr	Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips
title_full_unstemmed	Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips
title_sort	molecular dynamics simulation of ice indentation by model atomic force microscopy tips
publishDate	2015
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_19327447_v119_n48_p27118_GelmanConstantin http://hdl.handle.net/20.500.12110/paper_19327447_v119_n48_p27118_GelmanConstantin
work_keys_str_mv	AT cortihoracioroberto moleculardynamicssimulationoficeindentationbymodelatomicforcemicroscopytips
_version_	1768542432218054656

Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips

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