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Title: Orientational anisotropy in simulated vapor-deposited molecular glasses

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [2];  [3];  [2];  [4]
  1. Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, USA
  2. Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA
  3. Science et Ingénierie des Matériaux et Procédés, Grenoble INP, CNRS/UJF, 38402 Saint Martin d’Hères, France, Institut Lumière Matière, Universitè Claude Bernard Lyon, CNRS, 69622 Villeurbanne, France
  4. Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, USA, Argonne National Laboratory, Argonne, Illinois 60439, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1229653
Grant/Contract Number:  
SC0002161
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 143 Journal Issue: 9; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Lyubimov, Ivan, Antony, Lucas, Walters, Diane M., Rodney, David, Ediger, M. D., and de Pablo, Juan J. Orientational anisotropy in simulated vapor-deposited molecular glasses. United States: N. p., 2015. Web. doi:10.1063/1.4928523.
Lyubimov, Ivan, Antony, Lucas, Walters, Diane M., Rodney, David, Ediger, M. D., & de Pablo, Juan J. Orientational anisotropy in simulated vapor-deposited molecular glasses. United States. doi:10.1063/1.4928523.
Lyubimov, Ivan, Antony, Lucas, Walters, Diane M., Rodney, David, Ediger, M. D., and de Pablo, Juan J. Mon . "Orientational anisotropy in simulated vapor-deposited molecular glasses". United States. doi:10.1063/1.4928523.
@article{osti_1229653,
title = {Orientational anisotropy in simulated vapor-deposited molecular glasses},
author = {Lyubimov, Ivan and Antony, Lucas and Walters, Diane M. and Rodney, David and Ediger, M. D. and de Pablo, Juan J.},
abstractNote = {},
doi = {10.1063/1.4928523},
journal = {Journal of Chemical Physics},
number = 9,
volume = 143,
place = {United States},
year = {2015},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.4928523

Citation Metrics:
Cited by: 21 works
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Works referenced in this record:

High-Modulus Organic Glasses Prepared by Physical Vapor Deposition
journal, January 2010

  • Kearns, Kenneth L.; Still, Tim; Fytas, George
  • Advanced Materials, Vol. 22, Issue 1
  • DOI: 10.1002/adma.200901673

Molecular Simulation of Ultrathin Polymeric Films near the Glass Transition
journal, October 2000


Surface Self-Diffusion of Organic Glasses
journal, August 2013

  • Brian, Caleb W.; Yu, Lian
  • The Journal of Physical Chemistry A, Vol. 117, Issue 50
  • DOI: 10.1021/jp404944s

Structural Characterization of Vapor-Deposited Glasses of an Organic Hole Transport Material with X-ray Scattering
journal, April 2015


Structure of the Liquid−Vacuum Interface of Room-Temperature Ionic Liquids:  A Molecular Dynamics Study
journal, February 2006

  • Yan, Tianying; Li, Shu; Jiang, Wei
  • The Journal of Physical Chemistry B, Vol. 110, Issue 4
  • DOI: 10.1021/jp055890p

Control of Molecular Dye Orientation in Organic Luminescent Films by the Glass Transition Temperature of the Host Material
journal, February 2015


In situ real-time spectroscopic ellipsometry measurement for the investigation of molecular orientation in organic amorphous multilayer structures
journal, June 2010

  • Yokoyama, Daisuke; Adachi, Chihaya
  • Journal of Applied Physics, Vol. 107, Issue 12
  • DOI: 10.1063/1.3432568

Model vapor-deposited glasses: Growth front and composition effects
journal, October 2013

  • Lyubimov, Ivan; Ediger, M. D.; de Pablo, Juan J.
  • The Journal of Chemical Physics, Vol. 139, Issue 14
  • DOI: 10.1063/1.4823769

Fluctuating mobility generation and transport in glasses
journal, August 2013


GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
journal, February 2008

  • Hess, Berk; Kutzner, Carsten; van der Spoel, David
  • Journal of Chemical Theory and Computation, Vol. 4, Issue 3
  • DOI: 10.1021/ct700301q

Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
journal, July 2001

  • Kaminski, George A.; Friesner, Richard A.; Tirado-Rives, Julian
  • The Journal of Physical Chemistry B, Vol. 105, Issue 28
  • DOI: 10.1021/jp003919d

Mechanism of fast surface self-diffusion of an organic glass
journal, November 2012


Molecular Orientation in Stable Glasses of Indomethacin
journal, April 2012

  • Dalal, Shakeel S.; Ediger, M. D.
  • The Journal of Physical Chemistry Letters, Vol. 3, Issue 10
  • DOI: 10.1021/jz3003266

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


What Do We Learn from the Local Geometry of Glass-Forming Liquids?
journal, August 2002


Enthalpy and high temperature relaxation kinetics of stable vapor-deposited glasses of toluene
journal, September 2014

  • Bhattacharya, Deepanjan; Sadtchenko, Vlad
  • The Journal of Chemical Physics, Vol. 141, Issue 9
  • DOI: 10.1063/1.4893716

Organic Glasses with Exceptional Thermodynamic and Kinetic Stability
journal, January 2007


Fast Surface Diffusion of Amorphous o -Terphenyl and Its Competition with Viscous Flow in Surface Evolution
journal, April 2015

  • Zhang, Wei; Brian, Caleb W.; Yu, Lian
  • The Journal of Physical Chemistry B, Vol. 119, Issue 15
  • DOI: 10.1021/jp5127464

Dynamics near Free Surfaces and the Glass Transition in Thin Polymer Films: A View to the Future
journal, November 2013

  • Ediger, M. D.; Forrest, J. A.
  • Macromolecules, Vol. 47, Issue 2
  • DOI: 10.1021/ma4017696

Surface Self-Diffusion of an Organic Glass
journal, June 2011


Measuring surface and bulk relaxation in glassy polymers
journal, June 2011


GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
journal, February 2013


Ultrastable glasses from in silico vapour deposition
journal, January 2013

  • Singh, Sadanand; Ediger, M. D.; de Pablo, Juan J.
  • Nature Materials, Vol. 12, Issue 2
  • DOI: 10.1038/nmat3521

Tunable molecular orientation and elevated thermal stability of vapor-deposited organic semiconductors
journal, March 2015

  • Dalal, Shakeel S.; Walters, Diane M.; Lyubimov, Ivan
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 14
  • DOI: 10.1073/pnas.1421042112

Generality of forming stable organic glasses by vapor deposition
journal, October 2010


Anomalously high-density glass of ethylbenzene prepared by vapor deposition at temperatures close to the glass-transition temperature
journal, June 2008


Density and birefringence of a highly stable α,α,β-trisnaphthylbenzene glass
journal, May 2012

  • Dalal, Shakeel S.; Sepúlveda, A.; Pribil, Greg K.
  • The Journal of Chemical Physics, Vol. 136, Issue 20
  • DOI: 10.1063/1.4719532

Simulation of interfaces between room temperature ionic liquids and other liquids
journal, January 2005

  • Lynden-Bell, R. M.; Kohanoff, J.; Del Popolo, M. G.
  • Faraday Discussions, Vol. 129
  • DOI: 10.1039/b405514d

Dynamics of glass-forming liquids. XV. Dynamical features of molecular liquids that form ultra-stable glasses by vapor deposition
journal, September 2011

  • Chen, Zhen; Richert, Ranko
  • The Journal of Chemical Physics, Vol. 135, Issue 12
  • DOI: 10.1063/1.3643332

Different orientation of the transition dipole moments of two similar Pt(II) complexes and their potential for high efficiency organic light-emitting diodes
journal, November 2014


Glass Transition Dynamics and Surface Layer Mobility in Unentangled Polystyrene Films
journal, June 2010


Character of Devitrification, Viewed from Enthalpic Paths, of the Vapor-Deposited Ethylbenzene Glasses
journal, December 2011

  • Ramos, Sergio Luis L. M.; Oguni, Masaharu; Ishii, Kikujiro
  • The Journal of Physical Chemistry B, Vol. 115, Issue 49
  • DOI: 10.1021/jp203612s

Evolution of glassy gratings with variable aspect ratios under surface diffusion
journal, May 2011

  • Malshe, Rohit; Ediger, M. D.; Yu, Lian
  • The Journal of Chemical Physics, Vol. 134, Issue 19
  • DOI: 10.1063/1.3573903

Glass transition in vapor deposited thin films of toluene
journal, August 2009

  • León-Gutierrez, E.; Garcia, G.; Clavaguera-Mora, M. T.
  • Thermochimica Acta, Vol. 492, Issue 1-2
  • DOI: 10.1016/j.tca.2009.05.016

Thickness dependent modulus of vacuum deposited organic molecular glasses for organic electronics applications
journal, January 2011

  • Bakken, Nathan; Torres, Jessica M.; Li, Jian
  • Soft Matter, Vol. 7, Issue 16
  • DOI: 10.1039/c1sm05732d

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
journal, January 1996

  • Jorgensen, William L.; Maxwell, David S.; Tirado-Rives, Julian
  • Journal of the American Chemical Society, Vol. 118, Issue 45
  • DOI: 10.1021/ja9621760

Canonical sampling through velocity rescaling
journal, January 2007

  • Bussi, Giovanni; Donadio, Davide; Parrinello, Michele
  • The Journal of Chemical Physics, Vol. 126, Issue 1
  • DOI: 10.1063/1.2408420

Suppression of tunneling two-level systems in ultrastable glasses of indomethacin
journal, July 2014

  • Perez-Castaneda, T.; Rodriguez-Tinoco, C.; Rodriguez-Viejo, J.
  • Proceedings of the National Academy of Sciences, Vol. 111, Issue 31
  • DOI: 10.1073/pnas.1405545111

Stable glasses of indomethacin and α,α,β-tris-naphthylbenzene transform into ordinary supercooled liquids
journal, November 2012

  • Sepúlveda, A.; Swallen, Stephen F.; Kopff, Laura A.
  • The Journal of Chemical Physics, Vol. 137, Issue 20
  • DOI: 10.1063/1.4768168

A molecular view of vapor deposited glasses
journal, May 2011

  • Singh, Sadanand; de Pablo, Juan J.
  • The Journal of Chemical Physics, Vol. 134, Issue 19
  • DOI: 10.1063/1.3586805

Molecular modeling of vapor-deposited polymer glasses
journal, May 2014

  • Lin, Po-Han; Lyubimov, Ivan; Yu, Lian
  • The Journal of Chemical Physics, Vol. 140, Issue 20
  • DOI: 10.1063/1.4876078

Wide-Range Refractive Index Control of Organic Semiconductor Films Toward Advanced Optical Design of Organic Optoelectronic Devices
journal, September 2012

  • Yokoyama, Daisuke; Nakayama, Ken-ichi; Otani, Toshiya
  • Advanced Materials, Vol. 24, Issue 47
  • DOI: 10.1002/adma.201202422

Devitrification Properties of Vapor-Deposited Ethylcyclohexane Glasses and Interpretation of the Molecular Mechanism for Formation of Vapor-Deposited Glasses
journal, February 2015

  • L. M. Ramos, Sergio Luis; Chigira, Atsuko. K.; Oguni, Masaharu
  • The Journal of Physical Chemistry B, Vol. 119, Issue 10
  • DOI: 10.1021/jp5109174

Probing equilibrium glass flow up to exapoise viscosities
journal, February 2015

  • Pogna, Eva Arianna Aurelia; Rodríguez-Tinoco, Cristian; Cerullo, Giulio
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 8
  • DOI: 10.1073/pnas.1423435112

Selectively Controlled Orientational Order in Linear-Shaped Thermally Activated Delayed Fluorescent Dopants
journal, June 2014

  • Komino, Takeshi; Tanaka, Hiroyuki; Adachi, Chihaya
  • Chemistry of Materials, Vol. 26, Issue 12
  • DOI: 10.1021/cm500802p

Properties of model atomic free-standing thin films
journal, March 2011

  • Shi, Zane; Debenedetti, Pablo G.; Stillinger, Frank H.
  • The Journal of Chemical Physics, Vol. 134, Issue 11
  • DOI: 10.1063/1.3565480

Macroscopic facilitation of glassy relaxation kinetics: Ultrastable glass films with frontlike thermal response
journal, December 2010

  • Léonard, Sébastien; Harrowell, Peter
  • The Journal of Chemical Physics, Vol. 133, Issue 24
  • DOI: 10.1063/1.3511721

Anisotropic Structure and Transformation Kinetics of Vapor-Deposited Indomethacin Glasses
journal, January 2011

  • Dawson, Kevin J.; Zhu, Lei; Yu, Lian
  • The Journal of Physical Chemistry B, Vol. 115, Issue 3
  • DOI: 10.1021/jp1092916

Behavior of Glass and Supercooled Liquid Alkylbenzenes Vapor-Deposited on Cold Substrates: Toward the Understanding of the Curious Light Scattering Observed in Some Supercooled Liquid States
journal, October 2009

  • Ishii, Kikujiro; Nakayama, Hideyuki; Moriyama, Ryo
  • Bulletin of the Chemical Society of Japan, Vol. 82, Issue 10
  • DOI: 10.1246/bcsj.82.1240

Supercooled liquids and the glass transition
journal, March 2001

  • Debenedetti, Pablo G.; Stillinger, Frank H.
  • Nature, Vol. 410, Issue 6825
  • DOI: 10.1038/35065704

The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films
journal, July 2014

  • Haji-Akbari, Amir; Debenedetti, Pablo G.
  • The Journal of Chemical Physics, Vol. 141, Issue 2
  • DOI: 10.1063/1.4885365

Highly Stable Vapor-Deposited Glasses of Four Tris-naphthylbenzene Isomers
journal, October 2011

  • Dawson, Kevin; Zhu, Lei; Kopff, Laura A.
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 21
  • DOI: 10.1021/jz201174m

Hiking down the Energy Landscape:  Progress Toward the Kauzmann Temperature via Vapor Deposition
journal, April 2008

  • Kearns, Kenneth L.; Swallen, Stephen F.; Ediger, M. D.
  • The Journal of Physical Chemistry B, Vol. 112, Issue 16
  • DOI: 10.1021/jp7113384

Physical vapor deposition as a route to hidden amorphous states
journal, July 2009

  • Dawson, K. J.; Kearns, K. L.; Yu, L.
  • Proceedings of the National Academy of Sciences, Vol. 106, Issue 36
  • DOI: 10.1073/pnas.0901469106

Horizontal orientation of linear-shaped organic molecules having bulky substituents in neat and doped vacuum-deposited amorphous films
journal, February 2009


On the surface of glasses
journal, December 2008

  • Stevenson, Jacob D.; Wolynes, Peter G.
  • The Journal of Chemical Physics, Vol. 129, Issue 23
  • DOI: 10.1063/1.3041651

A smooth particle mesh Ewald method
journal, November 1995

  • Essmann, Ulrich; Perera, Lalith; Berkowitz, Max L.
  • The Journal of Chemical Physics, Vol. 103, Issue 19
  • DOI: 10.1063/1.470117

Highly Stable Glasses of cis -Decalin and cis / trans -Decalin Mixtures
journal, June 2013

  • Whitaker, Katherine R.; Scifo, Daniel J.; Ediger, M. D.
  • The Journal of Physical Chemistry B, Vol. 117, Issue 42
  • DOI: 10.1021/jp400960g

Molecular orientation in small-molecule organic light-emitting diodes
journal, January 2011

  • Yokoyama, Daisuke
  • Journal of Materials Chemistry, Vol. 21, Issue 48
  • DOI: 10.1039/c1jm13417e

Molecular packing in highly stable glasses of vapor-deposited tris-naphthylbenzene isomers
journal, March 2012

  • Dawson, Kevin; Kopff, Laura A.; Zhu, Lei
  • The Journal of Chemical Physics, Vol. 136, Issue 9
  • DOI: 10.1063/1.3686801

Evaluation of Growth Front Velocity in Ultrastable Glasses of Indomethacin over a Wide Temperature Interval
journal, August 2014

  • Rodríguez-Tinoco, Cristian; Gonzalez-Silveira, Marta; Ràfols-Ribé, Joan
  • The Journal of Physical Chemistry B, Vol. 118, Issue 36
  • DOI: 10.1021/jp506782d

Transformation of Stable Glasses into Supercooled Liquids: Growth Fronts and Anomalously Fast Liquid Diffusion
journal, March 2010

  • Swallen, Stephen F.; Windsor, Katherine; McMahon, Robert J.
  • The Journal of Physical Chemistry B, Vol. 114, Issue 8
  • DOI: 10.1021/jp9107359

Orientation Control of Linear-Shaped Molecules in Vacuum-Deposited Organic Amorphous Films and Its Effect on Carrier Mobilities
journal, February 2010

  • Yokoyama, Daisuke; Setoguchi, Yousuke; Sakaguchi, Akio
  • Advanced Functional Materials, Vol. 20, Issue 3
  • DOI: 10.1002/adfm.200901684

Formation of Glasses from Liquids and Biopolymers
journal, March 1995


Ultrastable Metallic Glass
journal, August 2013