Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips
- Autores
- Gelman Constantin, Julián; Carignano, Marcelo Andres; Corti, Horacio Roberto; Szleifer, Igal
- Año de publicación
- 2015
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- We have performed extensive MD simulations of nanoindentation of an ice slab with model 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), force versus indentation depth curves present peaks, related with 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), size is no longer commensurate with average monolayer thickness and we did not nd 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.
Fil: Gelman Constantin, Julián. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Carignano, Marcelo Andres. Hamad Bin Khalifa University; Qatar
Fil: Corti, Horacio Roberto. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Szleifer, Igal. Northwestern University; Estados Unidos - Materia
-
Capa Cuasi Liquida (Qll)
Microscopia de Fuerza (Afm)
Dinamica Molecular (Md)
Hielo - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/42314
Ver los metadatos del registro completo
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Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy TipsGelman Constantin, JuliánCarignano, Marcelo AndresCorti, Horacio RobertoSzleifer, IgalCapa Cuasi Liquida (Qll)Microscopia de Fuerza (Afm)Dinamica Molecular (Md)Hielohttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We have performed extensive MD simulations of nanoindentation of an ice slab with model 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), force versus indentation depth curves present peaks, related with 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), size is no longer commensurate with average monolayer thickness and we did not nd 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.Fil: Gelman Constantin, Julián. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Carignano, Marcelo Andres. Hamad Bin Khalifa University; QatarFil: Corti, Horacio Roberto. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Szleifer, Igal. Northwestern University; Estados UnidosAmerican Chemical Society2015-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/42314Gelman Constantin, Julián; Carignano, Marcelo Andres; Corti, Horacio Roberto; Szleifer, Igal; Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips; American Chemical Society; Journal of Physical Chemistry C; 119; 48; 11-2015; 27118-271241932-7447CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.5b10230info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpcc.5b10230info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:34:18Zoai:ri.conicet.gov.ar:11336/42314instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:34:19.04CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips |
title |
Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips |
spellingShingle |
Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips Gelman Constantin, Julián Capa Cuasi Liquida (Qll) Microscopia de Fuerza (Afm) Dinamica Molecular (Md) Hielo |
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 |
dc.creator.none.fl_str_mv |
Gelman Constantin, Julián Carignano, Marcelo Andres Corti, Horacio Roberto Szleifer, Igal |
author |
Gelman Constantin, Julián |
author_facet |
Gelman Constantin, Julián Carignano, Marcelo Andres Corti, Horacio Roberto Szleifer, Igal |
author_role |
author |
author2 |
Carignano, Marcelo Andres Corti, Horacio Roberto Szleifer, Igal |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
Capa Cuasi Liquida (Qll) Microscopia de Fuerza (Afm) Dinamica Molecular (Md) Hielo |
topic |
Capa Cuasi Liquida (Qll) Microscopia de Fuerza (Afm) Dinamica Molecular (Md) Hielo |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
We have performed extensive MD simulations of nanoindentation of an ice slab with model 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), force versus indentation depth curves present peaks, related with 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), size is no longer commensurate with average monolayer thickness and we did not nd 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. Fil: Gelman Constantin, Julián. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina Fil: Carignano, Marcelo Andres. Hamad Bin Khalifa University; Qatar Fil: Corti, Horacio Roberto. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina Fil: Szleifer, Igal. Northwestern University; Estados Unidos |
description |
We have performed extensive MD simulations of nanoindentation of an ice slab with model 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), force versus indentation depth curves present peaks, related with 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), size is no longer commensurate with average monolayer thickness and we did not nd 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. |
publishDate |
2015 |
dc.date.none.fl_str_mv |
2015-11 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/42314 Gelman Constantin, Julián; Carignano, Marcelo Andres; Corti, Horacio Roberto; Szleifer, Igal; Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips; American Chemical Society; Journal of Physical Chemistry C; 119; 48; 11-2015; 27118-27124 1932-7447 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/42314 |
identifier_str_mv |
Gelman Constantin, Julián; Carignano, Marcelo Andres; Corti, Horacio Roberto; Szleifer, Igal; Molecular Dynamics Simulation of Ice Indentation by Model Atomic Force Microscopy Tips; American Chemical Society; Journal of Physical Chemistry C; 119; 48; 11-2015; 27118-27124 1932-7447 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcc.5b10230 info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpcc.5b10230 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
American Chemical Society |
publisher.none.fl_str_mv |
American Chemical Society |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
reponame_str |
CONICET Digital (CONICET) |
collection |
CONICET Digital (CONICET) |
instname_str |
Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.name.fl_str_mv |
CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.mail.fl_str_mv |
dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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1844613061309104128 |
score |
13.070432 |