skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Monte Carlo simulation of cylinders with short-range attractions

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [1]
  1. Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, USA
  2. Center for Neutron Science and Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware 19716, USA
  3. Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, USA; Institute for Bioscience and Biotechnology Research, University of Maryland, Rockville, Maryland 20850, USA
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
National Institute of Standards and Technology (NIST)
OSTI Identifier:
1471638
Resource Type:
Journal Article
Journal Name:
AIP Advances
Additional Journal Information:
Journal Volume: 8; Journal Issue: 9; Journal ID: ISSN 2158-3226
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Hatch, Harold W., Mahynski, Nathan A., Murphy, Ryan P., Blanco, Marco A., and Shen, Vincent K. Monte Carlo simulation of cylinders with short-range attractions. United States: N. p., 2018. Web. doi:10.1063/1.5040252.
Hatch, Harold W., Mahynski, Nathan A., Murphy, Ryan P., Blanco, Marco A., & Shen, Vincent K. Monte Carlo simulation of cylinders with short-range attractions. United States. doi:10.1063/1.5040252.
Hatch, Harold W., Mahynski, Nathan A., Murphy, Ryan P., Blanco, Marco A., and Shen, Vincent K. Sat . "Monte Carlo simulation of cylinders with short-range attractions". United States. doi:10.1063/1.5040252.
@article{osti_1471638,
title = {Monte Carlo simulation of cylinders with short-range attractions},
author = {Hatch, Harold W. and Mahynski, Nathan A. and Murphy, Ryan P. and Blanco, Marco A. and Shen, Vincent K.},
abstractNote = {},
doi = {10.1063/1.5040252},
journal = {AIP Advances},
issn = {2158-3226},
number = 9,
volume = 8,
place = {United States},
year = {2018},
month = {9}
}

Works referenced in this record:

Anisotropic self-assembly of spherical polymer-grafted nanoparticles
journal, March 2009

  • Akcora, Pinar; Liu, Hongjun; Kumar, Sanat K.
  • Nature Materials, Vol. 8, Issue 4
  • DOI: 10.1038/nmat2404

FEASST: Free Energy and Advanced Sampling Simulation Toolkit
journal, January 2018

  • Hatch, Harold W.; Mahynski, Nathan A.; Shen, Vincent K.
  • Journal of Research of the National Institute of Standards and Technology, Vol. 123
  • DOI: 10.6028/jres.123.004

Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods
journal, June 2014

  • Shen, Vincent K.; Siderius, Daniel W.
  • The Journal of Chemical Physics, Vol. 140, Issue 24
  • DOI: 10.1063/1.4884124

A critical examination of the decoupling approximation for small-angle scattering from hard ellipsoids of revolution
journal, September 2016

  • Greene, Daniel G.; Ferraro, Daniel V.; Lenhoff, Abraham M.
  • Journal of Applied Crystallography, Vol. 49, Issue 5
  • DOI: 10.1107/s1600576716012929

Kinetic arrest, dynamical transitions, and activated relaxation in dense fluids of attractive nonspherical colloids
journal, June 2011


Microstructural regimes of colloidal rod suspensions, gels, and glasses
journal, January 2010

  • Solomon, Michael J.; Spicer, Patrick T.
  • Soft Matter, Vol. 6, Issue 7
  • DOI: 10.1039/b918281k

Monte Carlo study of rod-like molecules: A test of perturbation theory for the Kihara model
journal, June 1989


Instrumental Smearing Effects in Radially Symmetric Small-Angle Neutron Scattering by Numerical and Analytical Methods
journal, April 1995


Generalized phase behavior of cluster formation in colloidal dispersions with competing interactions
journal, January 2014

  • Godfrin, P. Douglas; Valadez-Pérez, Néstor E.; Castañeda-Priego, Ramon
  • Soft Matter, Vol. 10, Issue 28
  • DOI: 10.1039/c3sm53220h

Thermodynamic stability of a smectic phase in a system of hard rods
journal, April 1988

  • Frenkel, D.; Lekkerkerker, H. N. W.; Stroobants, A.
  • Nature, Vol. 332, Issue 6167
  • DOI: 10.1038/332822a0

Self-Assembly of Bifunctional Patchy Particles with Anisotropic Shape into Polymers Chains: Theory, Simulations, and Experiments
journal, December 2011

  • De Michele, Cristiano; Bellini, Tommaso; Sciortino, Francesco
  • Macromolecules, Vol. 45, Issue 2
  • DOI: 10.1021/ma201962x

Extended corresponding-states behavior for particles with variable range attractions
journal, August 2000

  • Noro, Massimo G.; Frenkel, Daan
  • The Journal of Chemical Physics, Vol. 113, Issue 8
  • DOI: 10.1063/1.1288684

Directionally Interacting Spheres and Rods Form Ordered Phases
journal, April 2017


Simulating hard rigid bodies
journal, May 2010


Percolation and orientational ordering in systems of magnetic nanorods
journal, January 2012

  • Alvarez, Carlos E.; Klapp, Sabine H. L.
  • Soft Matter, Vol. 8, Issue 28
  • DOI: 10.1039/c2sm25636c

Virial coefficients of anisotropic hard solids of revolution: The detailed influence of the particle geometry
journal, November 2017

  • Herold, Elisabeth; Hellmann, Robert; Wagner, Joachim
  • The Journal of Chemical Physics, Vol. 147, Issue 20
  • DOI: 10.1063/1.5004687

Shape-sensitive crystallization in colloidal superball fluids
journal, April 2015

  • Rossi, Laura; Soni, Vishal; Ashton, Douglas J.
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 17
  • DOI: 10.1073/pnas.1415467112

Exploring the zone of anisotropy and broken symmetries in DNA-mediated nanoparticle crystallization
journal, September 2016

  • O’Brien, Matthew N.; Girard, Martin; Lin, Hai-Xin
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 38
  • DOI: 10.1073/pnas.1611808113

Phase behavior of a suspension of colloidal hard rods and nonadsorbing polymer
journal, June 2006

  • Savenko, S. V.; Dijkstra, Marjolein
  • The Journal of Chemical Physics, Vol. 124, Issue 23
  • DOI: 10.1063/1.2202853

The depletion attraction: an underappreciated force driving cellular organization
journal, December 2006

  • Marenduzzo, Davide; Finan, Kieran; Cook, Peter R.
  • The Journal of Cell Biology, Vol. 175, Issue 5
  • DOI: 10.1083/jcb.200609066

Avoiding unphysical kinetic traps in Monte Carlo simulations of strongly attractive particles
journal, October 2007

  • Whitelam, Stephen; Geissler, Phillip L.
  • The Journal of Chemical Physics, Vol. 127, Issue 15
  • DOI: 10.1063/1.2790421

Simulation of small-angle scattering curves by numerical Fourier transformation
journal, January 2007


Prescribed nanoparticle cluster architectures and low-dimensional arrays built using octahedral DNA origami frames
journal, May 2015


Anisotropy of building blocks and their assembly into complex structures
journal, August 2007

  • Glotzer, Sharon C.; Solomon, Michael J.
  • Nature Materials, Vol. 6, Issue 8, p. 557-562
  • DOI: 10.1038/nmat1949

Isotropic–isotropic phase separation in mixtures of rods and spheres: Some aspects of Monte Carlo simulation in the grand canonical ensemble
journal, July 2008

  • Jungblut, S.; Binder, K.; Schilling, T.
  • Computer Physics Communications, Vol. 179, Issue 1-3
  • DOI: 10.1016/j.cpc.2008.01.003

Orientational Ordering of Passivating Ligands on CdS Nanorods in Solution Generates Strong Rod–Rod Interactions
journal, December 2013

  • Widmer-Cooper, Asaph; Geissler, Phillip
  • Nano Letters, Vol. 14, Issue 1
  • DOI: 10.1021/nl403067p

Tracing the phase boundaries of hard spherocylinders
journal, January 1997

  • Bolhuis, Peter; Frenkel, Daan
  • The Journal of Chemical Physics, Vol. 106, Issue 2
  • DOI: 10.1063/1.473404

Monte Carlo simulation methods for computing the wetting and drying properties of model systems
journal, December 2011

  • Rane, Kaustubh S.; Kumar, Vaibhaw; Errington, Jeffrey R.
  • The Journal of Chemical Physics, Vol. 135, Issue 23
  • DOI: 10.1063/1.3668137

Depletion induced isotropic-isotropic phase separation in suspensions of rod-like colloids
journal, December 2007

  • Jungblut, S.; Tuinier, R.; Binder, K.
  • The Journal of Chemical Physics, Vol. 127, Issue 24
  • DOI: 10.1063/1.2815805

Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders
journal, July 2015

  • Wu, Liang; Malijevský, Alexandr; Jackson, George
  • The Journal of Chemical Physics, Vol. 143, Issue 4
  • DOI: 10.1063/1.4923291

On Interaction between Two Bodies Immersed in a Solution of Macromolecules
journal, July 1954

  • Asakura, Sho; Oosawa, Fumio
  • The Journal of Chemical Physics, Vol. 22, Issue 7
  • DOI: 10.1063/1.1740347

Random Packing of Hard Spherocylinders
journal, May 2014

  • Ferreiro-Córdova, Claudia; van Duijneveldt, Jeroen S.
  • Journal of Chemical & Engineering Data, Vol. 59, Issue 10
  • DOI: 10.1021/je500119r

Entropic patchiness: Effects of colloid shape and depletion
journal, July 2017

  • Petukhov, Andrei V.; Tuinier, Remco; Vroege, Gert Jan
  • Current Opinion in Colloid & Interface Science, Vol. 30
  • DOI: 10.1016/j.cocis.2017.05.008

Phase diagram of the adhesive hard sphere fluid
journal, January 2004

  • Miller, Mark A.; Frenkel, Daan
  • The Journal of Chemical Physics, Vol. 121, Issue 1
  • DOI: 10.1063/1.1758693

Observation of solid–solid transitions in 3D crystals of colloidal superballs
journal, February 2017

  • Meijer, Janne-Mieke; Pal, Antara; Ouhajji, Samia
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14352

Thermoreversible Gels Composed of Colloidal Silica Rods with Short-Range Attractions
journal, August 2016


Self-assembly of trimer colloids: effect of shape and interaction range
journal, January 2016

  • Hatch, Harold W.; Yang, Seung-Yeob; Mittal, Jeetain
  • Soft Matter, Vol. 12, Issue 18
  • DOI: 10.1039/c6sm00473c

First‐Order Phase Transition in a Gas of Long Thin Rods
journal, October 1963

  • Zwanzig, Robert
  • The Journal of Chemical Physics, Vol. 39, Issue 7
  • DOI: 10.1063/1.1734518

Mixtures of anisotropic and spherical colloids: Phase behavior, confinement, percolation phenomena and kinetics
journal, November 2013

  • Schilling, T.; Dorosz, S.; Radu, M.
  • The European Physical Journal Special Topics, Vol. 222, Issue 11
  • DOI: 10.1140/epjst/e2013-02074-y

Lattice engineering through nanoparticle–DNA frameworks
journal, February 2016

  • Tian, Ye; Zhang, Yugang; Wang, Tong
  • Nature Materials, Vol. 15, Issue 6, p. 654-661
  • DOI: 10.1038/nmat4571

The Effects of Shape on the Interaction of Colloidal Particles
journal, May 1949


Order through entropy
journal, December 2014


Speeding up Monte Carlo simulation of patchy hard cylinders
journal, April 2018

  • Orellana, Alberto Giacomo; Romani, Emanuele; De Michele, Cristiano
  • The European Physical Journal E, Vol. 41, Issue 4
  • DOI: 10.1140/epje/i2018-11657-0

Investigation of blood rheology under steady and unidirectional large amplitude oscillatory shear
journal, March 2018

  • Horner, Jeffrey S.; Armstrong, Matthew J.; Wagner, Norman J.
  • Journal of Rheology, Vol. 62, Issue 2
  • DOI: 10.1122/1.5017623

Synthetic control of the size, shape, and polydispersity of anisotropic silica colloids
journal, September 2017

  • Murphy, Ryan P.; Hong, Kunlun; Wagner, Norman J.
  • Journal of Colloid and Interface Science, Vol. 501
  • DOI: 10.1016/j.jcis.2017.04.026

Coarse-grained depletion potentials for anisotropic colloids: Application to lock-and-key systems
journal, August 2016

  • Law, Clement; Ashton, Douglas J.; Wilding, Nigel B.
  • The Journal of Chemical Physics, Vol. 145, Issue 8
  • DOI: 10.1063/1.4961541

Soft condensed matter
journal, October 2002


Rejection-free Monte Carlo scheme for anisotropic particles
journal, April 2012

  • Sinkovits, Daniel W.; Barr, Stephen A.; Luijten, Erik
  • The Journal of Chemical Physics, Vol. 136, Issue 14
  • DOI: 10.1063/1.3694271

Depletion-driven crystallization of cubic colloids sedimented on a surface
journal, May 2016

  • Hatch, Harold W.; Krekelberg, William P.; Hudson, Steven D.
  • The Journal of Chemical Physics, Vol. 144, Issue 19
  • DOI: 10.1063/1.4949758

Strong, weak and metastable liquids
journal, October 1997


Suspensions of rod-like colloids and a depleting agent under confinement
journal, September 2008


Dynamical Arrest Transition in Nanoparticle Dispersions with Short-Range Interactions
journal, March 2011


A fast algorithm to evaluate the shortest distance between rods
journal, March 1994


General Potential for Anisotropic Colloid–Surface Interactions
journal, April 2017


Depletion-Induced Percolation in Networks of Nanorods
journal, March 2007


Shape-Anisotropy Driven Symmetry Transformations in Nanocrystal Superlattice Polymorphs
journal, February 2011

  • Bian, Kaifu; Choi, Joshua J.; Kaushik, Ananth
  • ACS Nano, Vol. 5, Issue 4
  • DOI: 10.1021/nn103303q

Phase diagram of a system of hard spherocylinders by computer simulation
journal, March 1990


Isotropic-nematic phase separation in asymmetrical rod-plate mixtures
journal, October 2001

  • Wensink, H. H.; Vroege, G. J.; Lekkerkerker, H. N. W.
  • The Journal of Chemical Physics, Vol. 115, Issue 15
  • DOI: 10.1063/1.1403686

A parallel algorithm for implicit depletant simulations
journal, November 2015

  • Glaser, Jens; Karas, Andrew S.; Glotzer, Sharon C.
  • The Journal of Chemical Physics, Vol. 143, Issue 18
  • DOI: 10.1063/1.4935175

Superquadrics and Angle-Preserving Transformations
journal, January 1981


Numerical study of the phase behavior of rodlike colloids with attractive interactions
journal, August 1997

  • Bolhuis, Peter G.; Stroobants, Alain; Frenkel, Daan
  • The Journal of Chemical Physics, Vol. 107, Issue 5
  • DOI: 10.1063/1.474508

Gelation and mechanical response of patchy rods
journal, January 2015

  • Kazem, Navid; Majidi, Carmel; Maloney, Craig E.
  • Soft Matter, Vol. 11, Issue 40
  • DOI: 10.1039/c5sm01845e

Empty liquid phase of colloidal ellipsoids: The role of shape and interaction anisotropy
journal, April 2014

  • Varga, Szabolcs; Meneses-Júarez, Efrain; Odriozola, Gerardo
  • The Journal of Chemical Physics, Vol. 140, Issue 13
  • DOI: 10.1063/1.4869938

Percolation, phase separation, and gelation in fluids and mixtures of spheres and rods
journal, December 2011

  • Jadrich, Ryan; Schweizer, Kenneth S.
  • The Journal of Chemical Physics, Vol. 135, Issue 23
  • DOI: 10.1063/1.3669649

Monte Carlo Simulation Methods for Computing Liquid–Vapor Saturation Properties of Model Systems
journal, May 2013

  • Rane, Kaustubh S.; Murali, Sabharish; Errington, Jeffrey R.
  • Journal of Chemical Theory and Computation, Vol. 9, Issue 6
  • DOI: 10.1021/ct400074p

Ordered phases of filamentous viruses
journal, April 2006


Phase diagram of colloidal hard superballs: from cubes via spheres to octahedra
journal, January 2012

  • Ni, Ran; Gantapara, Anjan Prasad; de Graaf, Joost
  • Soft Matter, Vol. 8, Issue 34
  • DOI: 10.1039/c2sm25813g

Colloidal gels: equilibrium and non-equilibrium routes
journal, July 2007


Entropically driven microphase transitions in mixtures of colloidal rods and spheres
journal, May 1998

  • Adams, Marie; Dogic, Zvonimir; Keller, Sarah L.
  • Nature, Vol. 393, Issue 6683
  • DOI: 10.1038/30700