Strain-rate and temperature dependent plastic yield in carbon nanotubes from ab initio calculations

Traian Dumitrică; Boris I. Yakobson

doi:10.1063/1.1695630

Strain-rate and temperature dependent plastic yield in carbon nanotubes from ab initio calculations

Applied Physics Letters ◽

10.1063/1.1695630 ◽

2004 ◽

Vol 84 (15) ◽

pp. 2775-2777 ◽

Cited By ~ 58

Author(s):

Traian Dumitrică ◽

Boris I. Yakobson

Keyword(s):

Carbon Nanotubes ◽

Ab Initio Calculations ◽

Strain Rate ◽

Ab Initio ◽

Temperature Dependent ◽

Plastic Yield

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Ab initio calculations of temperature-dependent magnetostriction of Fe and A2Fe1−xGax within the disordered local moment picture

Physical Review B ◽

10.1103/physrevb.99.054415 ◽

2019 ◽

Vol 99 (5) ◽

Cited By ~ 5

Author(s):

George A. Marchant ◽

Christopher E. Patrick ◽

Julie B. Staunton

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Local Moment ◽

Temperature Dependent

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A temperature-dependent Raman scattering and X-ray diffraction study of K2Mo2O7•H2O and ab initio calculations of K2Mo2O7

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2021.120184 ◽

2021 ◽

pp. 120184

Author(s):

G.D. Saraiva ◽

L.F. Lobato ◽

A.V.L. Ferreira ◽

W. Paraguassu ◽

A.J. Ramiro de Castro ◽

...

Keyword(s):

Raman Scattering ◽

Ab Initio Calculations ◽

Ab Initio ◽

Diffraction Study ◽

X Ray Diffraction ◽

Temperature Dependent ◽

X Ray

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Conformational stability of ethylenediamine from temperature dependent infrared spectra of liquid xenon solutions, r0 structural parameters, ab initio calculations, and vibrational assignments

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.09.007 ◽

2010 ◽

Vol 984 (1-3) ◽

pp. 58-67 ◽

Cited By ~ 7

Author(s):

James R. Durig ◽

Savitha S. Panikar ◽

Takuya Iwata ◽

Todor K. Gounev

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Structural Parameters ◽

Conformational Stability ◽

Liquid Xenon ◽

Temperature Dependent ◽

Vibrational Assignments ◽

Xenon Solutions ◽

R0 Structural Parameters

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Noncovalent functionalization of carbon nanotubes and graphene with tetraphenylporphyrins: stability and optical properties from ab initio calculations

Journal of Materials Science ◽

10.1007/s10853-014-8650-0 ◽

2014 ◽

Vol 50 (2) ◽

pp. 898-905 ◽

Cited By ~ 14

Author(s):

Walter Orellana ◽

Julián D. Correa

Keyword(s):

Carbon Nanotubes ◽

Optical Properties ◽

Ab Initio Calculations ◽

Ab Initio ◽

Noncovalent Functionalization ◽

Functionalization Of Carbon Nanotubes

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Conformational stability from temperature dependent FT-IR spectra of liquid rare gas solutions, barriers to internal rotation, vibrational assignment, structural parameters and ab initio calculations for 3-bromopropene

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00508-1 ◽

2000 ◽

Vol 550-551 ◽

pp. 481-493 ◽

Cited By ~ 7

Author(s):

D.T Durig ◽

Z Yu

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Parameters ◽

Conformational Stability ◽

Rare Gas ◽

Vibrational Assignment ◽

Temperature Dependent ◽

Ft Ir ◽

Rare Gas Solutions

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Temperature-dependent phonon lifetimes and thermal conductivity of silicon by inelastic neutron scattering and ab initio calculations

Physical Review B ◽

10.1103/physrevb.102.174311 ◽

2020 ◽

Vol 102 (17) ◽

Author(s):

D. S. Kim ◽

O. Hellman ◽

N. Shulumba ◽

C. N. Saunders ◽

J. Y. Y. Lin ◽

...

Keyword(s):

Thermal Conductivity ◽

Ab Initio Calculations ◽

Neutron Scattering ◽

Ab Initio ◽

Inelastic Neutron Scattering ◽

Inelastic Neutron ◽

Temperature Dependent

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Conformational and structural studies of chloromethylcyclopropane and bromomethylcyclopropane from temperature dependent FT-IR spectra of xenon solutions and ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00094-0 ◽

1999 ◽

Vol 485-486 ◽

pp. 501-521 ◽

Cited By ~ 18

Author(s):

J.R. Durig ◽

S. Shen ◽

X. Zhu ◽

C.J. Wurrey

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Structural Studies ◽

Temperature Dependent ◽

Ft Ir ◽

Xenon Solutions

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Conformational behavior of ethyloxirane from infrared and Raman spectra, temperature dependent FT-IR spectra of xenon solutions, and ab initio calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(96)09250-2 ◽

1996 ◽

Vol 379 (1-3) ◽

pp. 267-282 ◽

Cited By ~ 3

Author(s):

James R. Durig ◽

Shiyu Shen ◽

T.K. Gounev ◽

Charles J. Wurrey

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Raman Spectra ◽

Conformational Behavior ◽

Infrared And Raman Spectra ◽

Temperature Dependent ◽

Ft Ir ◽

Xenon Solutions

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Spectra and structure of organophosphorus compounds LIX: conformational stability from temperature dependent FT-IR spectra of xenon solutions and ab initio calculations for ethyldifluorophosphine

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00169-5 ◽

1997 ◽

Vol 413-414 ◽

pp. 371-385 ◽

Cited By ~ 9

Author(s):

James R. Durig ◽

James B. Robb

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Organophosphorus Compounds ◽

Conformational Stability ◽

Temperature Dependent ◽

Ft Ir ◽

Xenon Solutions

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Ab-initio calculations for a realistic sensor: A study of CO sensors based on nitrogen-rich carbon nanotubes

AIP Advances ◽

10.1063/1.4739280 ◽

2012 ◽

Vol 2 (3) ◽

pp. 032115 ◽

Cited By ~ 4

Author(s):

A. M. Souza ◽

A. R. Rocha ◽

A. Fazzio ◽

A. J. R. da Silva

Keyword(s):

Carbon Nanotubes ◽

Ab Initio Calculations ◽

Ab Initio

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