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

Title: Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field

Authors:
 [1];  [1]; ORCiD logo [2]
  1. Department of Materials Science and Engineering and Ames Lab, Ames, Iowa 50011, USA
  2. Department of Physics and Astronomy and Ames Lab, Ames, Iowa 50011, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1461037
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 149 Journal Issue: 3; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Waltmann, Curt, Horst, Nathan, and Travesset, Alex. Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field. United States: N. p., 2018. Web. doi:10.1063/1.5039495.
Waltmann, Curt, Horst, Nathan, & Travesset, Alex. Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field. United States. doi:10.1063/1.5039495.
Waltmann, Curt, Horst, Nathan, and Travesset, Alex. Sat . "Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field". United States. doi:10.1063/1.5039495.
@article{osti_1461037,
title = {Potential of mean force for two nanocrystals: Core geometry and size, hydrocarbon unsaturation, and universality with respect to the force field},
author = {Waltmann, Curt and Horst, Nathan and Travesset, Alex},
abstractNote = {},
doi = {10.1063/1.5039495},
journal = {Journal of Chemical Physics},
number = 3,
volume = 149,
place = {United States},
year = {2018},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.5039495

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Crystal Structures of Molecular Gold Nanocrystal Arrays
journal, May 1999

  • Whetten, Robert L.; Shafigullin, Marat N.; Khoury, Joseph T.
  • Accounts of Chemical Research, Vol. 32, Issue 5
  • DOI: 10.1021/ar970239t

Simulation of a monolayer of alkyl thiol chains
journal, October 1989

  • Hautman, Joseph; Klein, Michael L.
  • The Journal of Chemical Physics, Vol. 91, Issue 8
  • DOI: 10.1063/1.457621

General purpose molecular dynamics simulations fully implemented on graphics processing units
journal, May 2008

  • Anderson, Joshua A.; Lorenz, Chris D.; Travesset, A.
  • Journal of Computational Physics, Vol. 227, Issue 10
  • DOI: 10.1016/j.jcp.2008.01.047

Quasicrystalline order in self-assembled binary nanoparticle superlattices
journal, October 2009

  • Talapin, Dmitri V.; Shevchenko, Elena V.; Bodnarchuk, Maryna I.
  • Nature, Vol. 461, Issue 7266
  • DOI: 10.1038/nature08439

Polymorphism in AB 13 Nanoparticle Superlattices:  An Example of Semiconductor−Metal Metamaterials
journal, June 2005

  • Shevchenko, Elena V.; Talapin, Dmitri V.; O'Brien, Stephen
  • Journal of the American Chemical Society, Vol. 127, Issue 24
  • DOI: 10.1021/ja050510z

Structural diversity in binary superlattices self-assembled from polymer-grafted nanocrystals
journal, December 2015

  • Ye, Xingchen; Zhu, Chenhui; Ercius, Peter
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms10052

Many Body Effects and Icosahedral Order in Superlattice Self-Assembly
journal, June 2018

  • Waltmann, Tommy; Waltmann, Curt; Horst, Nathan
  • Journal of the American Chemical Society, Vol. 140, Issue 26
  • DOI: 10.1021/jacs.8b03895

Phase diagram of power law and Lennard-Jones systems: Crystal phases
journal, October 2014

  • Travesset, Alex
  • The Journal of Chemical Physics, Vol. 141, Issue 16
  • DOI: 10.1063/1.4898371

Structure Direction of II−VI Semiconductor Quantum Dot Binary Nanoparticle Superlattices by Tuning Radius Ratio
journal, May 2008

  • Chen, Zhuoying; O’Brien, Stephen
  • ACS Nano, Vol. 2, Issue 6
  • DOI: 10.1021/nn800129s

MPI for Python
journal, September 2005

  • Dalcín, Lisandro; Paz, Rodrigo; Storti, Mario
  • Journal of Parallel and Distributed Computing, Vol. 65, Issue 9
  • DOI: 10.1016/j.jpdc.2005.03.010

Many-Body Effects in Nanocrystal Superlattices: Departure from Sphere Packing Explains Stability of Binary Phases
journal, March 2015

  • Boles, Michael A.; Talapin, Dmitri V.
  • Journal of the American Chemical Society, Vol. 137, Issue 13
  • DOI: 10.1021/jacs.5b00839

Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: n-Alkanes and n-Olefins
journal, August 2015


THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
journal, October 1992

  • Kumar, Shankar; Rosenberg, John M.; Bouzida, Djamal
  • Journal of Computational Chemistry, Vol. 13, Issue 8
  • DOI: 10.1002/jcc.540130812

Colloidal Stability of Apolar Nanoparticles: The Role of Particle Size and Ligand Shell Structure
journal, May 2018


Understanding interactions between capped nanocrystals: Three-body and chain packing effects
journal, September 2009

  • Schapotschnikow, Philipp; Vlugt, Thijs J. H.
  • The Journal of Chemical Physics, Vol. 131, Issue 12
  • DOI: 10.1063/1.3227043

Beyond Entropy: Magnetic Forces Induce Formation of Quasicrystalline Structure in Binary Nanocrystal Superlattices
journal, March 2015

  • Yang, Zhijie; Wei, Jingjing; Bonville, Pierre
  • Journal of the American Chemical Society, Vol. 137, Issue 13
  • DOI: 10.1021/jacs.5b00332

Sulfur−Gold Orbital Interactions which Determine the Structure of Alkanethiolate/Au(111) Self-Assembled Monolayer Systems
journal, December 2002

  • Tachibana, Masamitsu; Yoshizawa, Kazunari; Ogawa, Atsushi
  • The Journal of Physical Chemistry B, Vol. 106, Issue 49
  • DOI: 10.1021/jp020993i

DNA-guided crystallization of colloidal nanoparticles
journal, January 2008

  • Nykypanchuk, Dmytro; Maye, Mathew M.; van der Lelie, Daniel
  • Nature, Vol. 451, Issue 7178, p. 549-552
  • DOI: 10.1038/nature06560

Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies
journal, January 2004

  • Landman, Uzi; Luedtke, W. D.
  • Faraday Discussions, Vol. 125
  • DOI: 10.1039/b312640b

Generic phase diagram of binary superlattices
journal, August 2016

  • Tkachenko, Alexei V.
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 37
  • DOI: 10.1073/pnas.1525358113

Structure, Dynamics, and Thermodynamics of Passivated Gold Nanocrystallites and Their Assemblies
journal, January 1996

  • Luedtke, W. D.; Landman, Uzi
  • The Journal of Physical Chemistry, Vol. 100, Issue 32
  • DOI: 10.1021/jp961721g

Entropy-Driven Formation of Binary Semiconductor-Nanocrystal Superlattices
journal, October 2010

  • Evers, Wiel H.; Nijs, Bart De; Filion, Laura
  • Nano Letters, Vol. 10, Issue 10
  • DOI: 10.1021/nl102705p

DNA-programmable nanoparticle crystallization
journal, January 2008

  • Park, Sung Yong; Lytton-Jean, Abigail K. R.; Lee, Byeongdu
  • Nature, Vol. 451, Issue 7178, p. 553-556
  • DOI: 10.1038/nature06508

Capping Ligand Vortices as “Atomic Orbitals” in Nanocrystal Self-Assembly
journal, September 2017


Effective potentials between nanoparticles in suspension
journal, April 2011

  • Grest, Gary S.; Wang, Qifei; Veld, Pieter in't
  • The Journal of Chemical Physics, Vol. 134, Issue 14
  • DOI: 10.1063/1.3578181

Orbitals for classical arbitrary anisotropic colloidal potentials
journal, November 2017

  • Girard, Martin; Nguyen, Trung Dac; de la Cruz, Monica Olvera
  • Physical Review E, Vol. 96, Issue 5
  • DOI: 10.1103/physreve.96.053309

Prediction of binary nanoparticle superlattices from soft potentials
journal, January 2016

  • Horst, Nathan; Travesset, Alex
  • The Journal of Chemical Physics, Vol. 144, Issue 1
  • DOI: 10.1063/1.4939238

Close-packed structures of spheres of two different sizes II. The packing densities of likely arrangements
journal, December 1980


Binary nanoparticle superlattices of soft-particle systems
journal, July 2015


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

Rigid body constraints realized in massively-parallel molecular dynamics on graphics processing units
journal, November 2011

  • Nguyen, Trung Dac; Phillips, Carolyn L.; Anderson, Joshua A.
  • Computer Physics Communications, Vol. 182, Issue 11
  • DOI: 10.1016/j.cpc.2011.06.005

Structural Characterization of Self-Assembled Multifunctional Binary Nanoparticle Superlattices
journal, March 2006

  • Shevchenko, Elena V.; Talapin, Dmitri V.; Murray, Christopher B.
  • Journal of the American Chemical Society, Vol. 128, Issue 11
  • DOI: 10.1021/ja0564261

Fluctuation-driven anisotropy in effective pair interactions between nanoparticles: Thiolated gold nanoparticles in ethane
journal, October 2014

  • Jabes, B. Shadrack; Yadav, Hari O. S.; Kumar, Sanat K.
  • The Journal of Chemical Physics, Vol. 141, Issue 15
  • DOI: 10.1063/1.4897541

Optimized intermolecular potential functions for liquid hydrocarbons
journal, October 1984

  • Jorgensen, William L.; Madura, Jeffry D.; Swenson, Carol J.
  • Journal of the American Chemical Society, Vol. 106, Issue 22
  • DOI: 10.1021/ja00334a030

Electron Tomography Resolves a Novel Crystal Structure in a Binary Nanocrystal Superlattice
journal, February 2013

  • Boneschanscher, Mark P.; Evers, Wiel H.; Qi, Weikai
  • Nano Letters, Vol. 13, Issue 3
  • DOI: 10.1021/nl400100c

Structure and Thermodynamics of Self-Assembled Monolayers on Gold Nanocrystallites
journal, August 1998

  • Luedtke, W. D.; Landman, Uzi
  • The Journal of Physical Chemistry B, Vol. 102, Issue 34
  • DOI: 10.1021/jp981745i

Ligand Exchange Governs the Crystal Structures in Binary Nanocrystal Superlattices
journal, November 2015

  • Wei, Jingjing; Schaeffer, Nicolas; Pileni, Marie-Paule
  • Journal of the American Chemical Society, Vol. 137, Issue 46
  • DOI: 10.1021/jacs.5b09959

Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
journal, August 2016


Polymorphism in Self-Assembled AB 6 Binary Nanocrystal Superlattices
journal, March 2011

  • Ye, Xingchen; Chen, Jun; Murray, Christopher B.
  • Journal of the American Chemical Society, Vol. 133, Issue 8
  • DOI: 10.1021/ja108708v

Energetic and Entropic Contributions to Self-Assembly of Binary Nanocrystal Superlattices: Temperature as the Structure-Directing Factor
journal, September 2010

  • Bodnarchuk, Maryna I.; Kovalenko, Maksym V.; Heiss, Wolfgang
  • Journal of the American Chemical Society, Vol. 132, Issue 34
  • DOI: 10.1021/ja103083q

Ion-Specific Interfacial Crystallization of Polymer-Grafted Nanoparticles
journal, July 2017

  • Zhang, Honghu; Wang, Wenjie; Mallapragada, Surya
  • The Journal of Physical Chemistry C, Vol. 121, Issue 28
  • DOI: 10.1021/acs.jpcc.7b02549