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...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Gelman Constantin, J., Carignano, M.A., Corti, H.R., Szleifer, I.
Formato: JOUR
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: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 todo:paper_19327447_v119_n48_p27118_GelmanConstantin
record_format dspace
spelling todo:paper_19327447_v119_n48_p27118_GelmanConstantin2023-10-03T16:36:01Z Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips Gelman Constantin, J. Carignano, M.A. Corti, H.R. Szleifer, I. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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
Gelman Constantin, J.
Carignano, M.A.
Corti, H.R.
Szleifer, I.
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.
format JOUR
author Gelman Constantin, J.
Carignano, M.A.
Corti, H.R.
Szleifer, I.
author_facet Gelman Constantin, J.
Carignano, M.A.
Corti, H.R.
Szleifer, I.
author_sort Gelman Constantin, J.
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
url http://hdl.handle.net/20.500.12110/paper_19327447_v119_n48_p27118_GelmanConstantin
work_keys_str_mv AT gelmanconstantinj moleculardynamicssimulationoficeindentationbymodelatomicforcemicroscopytips
AT carignanoma moleculardynamicssimulationoficeindentationbymodelatomicforcemicroscopytips
AT cortihr moleculardynamicssimulationoficeindentationbymodelatomicforcemicroscopytips
AT szleiferi moleculardynamicssimulationoficeindentationbymodelatomicforcemicroscopytips
_version_ 1782028065314963456

Ejemplares similares