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

This content will become publicly available on February 19, 2021

Title: Grand canonical inverse design of multicomponent colloidal crystals

Abstract

Inverse design methods are powerful computational approaches for creating colloidal systems which self-assemble into a target morphology by reverse engineering the Hamiltonian of the system.

Authors:
ORCiD logo [1];  [2];  [2];  [1]; ORCiD logo [2]
  1. Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, USA
  2. Department of Chemical and Biomolecular Engineering, Lehigh University, Bethlehem, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1603190
Grant/Contract Number:  
[SC0013979]
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Soft Matter
Additional Journal Information:
[Journal Name: Soft Matter]; Journal ID: ISSN 1744-683X
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Mahynski, Nathan A., Mao, Runfang, Pretti, Evan, Shen, Vincent K., and Mittal, Jeetain. Grand canonical inverse design of multicomponent colloidal crystals. United Kingdom: N. p., 2020. Web. doi:10.1039/C9SM02426C.
Mahynski, Nathan A., Mao, Runfang, Pretti, Evan, Shen, Vincent K., & Mittal, Jeetain. Grand canonical inverse design of multicomponent colloidal crystals. United Kingdom. doi:10.1039/C9SM02426C.
Mahynski, Nathan A., Mao, Runfang, Pretti, Evan, Shen, Vincent K., and Mittal, Jeetain. Wed . "Grand canonical inverse design of multicomponent colloidal crystals". United Kingdom. doi:10.1039/C9SM02426C.
@article{osti_1603190,
title = {Grand canonical inverse design of multicomponent colloidal crystals},
author = {Mahynski, Nathan A. and Mao, Runfang and Pretti, Evan and Shen, Vincent K. and Mittal, Jeetain},
abstractNote = {Inverse design methods are powerful computational approaches for creating colloidal systems which self-assemble into a target morphology by reverse engineering the Hamiltonian of the system.},
doi = {10.1039/C9SM02426C},
journal = {Soft Matter},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on February 19, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Inverse Design of Self-Assembling Frank-Kasper Phases and Insights Into Emergent Quasicrystals
journal, January 2018

  • Lindquist, Beth A.; Jadrich, Ryan B.; Piñeros, William D.
  • The Journal of Physical Chemistry B, Vol. 122, Issue 21
  • DOI: 10.1021/acs.jpcb.7b11841

Free-energy functional method for inverse problem of self assembly
journal, April 2015

  • Torikai, Masashi
  • The Journal of Chemical Physics, Vol. 142, Issue 14
  • DOI: 10.1063/1.4917175

Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assembly
journal, May 2019


Patterns without Patches: Hierarchical Self-Assembly of Complex Structures from Simple Building Blocks
journal, May 2014

  • Grünwald, Michael; Geissler, Phillip L.
  • ACS Nano, Vol. 8, Issue 6
  • DOI: 10.1021/nn500978p

Ionic colloidal crystals of oppositely charged particles
journal, September 2005

  • Leunissen, Mirjam E.; Christova, Christina G.; Hynninen, Antti-Pekka
  • Nature, Vol. 437, Issue 7056
  • DOI: 10.1038/nature03946

Entropy difference between crystal phases
journal, July 1997

  • Bolhuis, P. G.; Frenkel, D.; Mau, Siun-Choun
  • Nature, Vol. 388, Issue 6639
  • DOI: 10.1038/40779

Designing pairwise interactions that stabilize open crystals: Truncated square and truncated hexagonal lattices
journal, April 2017

  • Piñeros, William D.; Truskett, Thomas M.
  • The Journal of Chemical Physics, Vol. 146, Issue 14
  • DOI: 10.1063/1.4979715

Colloidal matter: Packing, geometry, and entropy
journal, August 2015


The nature and implications of uniformity in the hierarchical organization of nanomaterials
journal, September 2016

  • O’Brien, Matthew N.; Jones, Matthew R.; Mirkin, Chad A.
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 42
  • DOI: 10.1073/pnas.1605289113

Inverse design of simple pair potentials for the self-assembly of complex structures
journal, November 2018

  • Adorf, Carl S.; Antonaglia, James; Dshemuchadse, Julia
  • The Journal of Chemical Physics, Vol. 149, Issue 20
  • DOI: 10.1063/1.5063802

Binary colloidal structures assembled through Ising interactions
journal, January 2012

  • Khalil, Karim S.; Sagastegui, Amanda; Li, Yu
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1798

Self-assembly with colloidal clusters: facile crystal design using connectivity landscape analysis
journal, January 2017

  • Zanjani, Mehdi B.; Crocker, John C.; Sinno, Talid
  • Soft Matter, Vol. 13, Issue 39
  • DOI: 10.1039/C7SM01407D

Entropy difference between the face-centred cubic and hexagonal close-packed crystal structures
journal, January 1997


Advances in Colloidal Assembly: The Design of Structure and Hierarchy in Two and Three Dimensions
journal, June 2015

  • Vogel, Nicolas; Retsch, Markus; Fustin, Charles-André
  • Chemical Reviews, Vol. 115, Issue 13
  • DOI: 10.1021/cr400081d

Controlling crystal self-assembly using a real-time feedback scheme
journal, March 2013

  • Klotsa, Daphne; Jack, Robert L.
  • The Journal of Chemical Physics, Vol. 138, Issue 9
  • DOI: 10.1063/1.4793527

Inverse design of multicomponent assemblies
journal, March 2018

  • Piñeros, William D.; Lindquist, Beth A.; Jadrich, Ryan B.
  • The Journal of Chemical Physics, Vol. 148, Issue 10
  • DOI: 10.1063/1.5021648

Automated crystal characterization with a fast neighborhood graph analysis method
journal, January 2018

  • Reinhart, Wesley F.; Panagiotopoulos, Athanassios Z.
  • Soft Matter, Vol. 14, Issue 29
  • DOI: 10.1039/C8SM00960K

Assembly of multi-flavored two-dimensional colloidal crystals
journal, January 2017

  • Mahynski, Nathan A.; Zerze, Hasan; Hatch, Harold W.
  • Soft Matter, Vol. 13, Issue 32
  • DOI: 10.1039/C7SM01005B

Designed interaction potentials via inverse methods for self-assembly
journal, January 2006


Rational design of self-assembly pathways for complex multicomponent structures
journal, May 2015

  • Jacobs, William M.; Reinhardt, Aleks; Frenkel, Daan
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 20
  • DOI: 10.1073/pnas.1502210112

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


Nonlinear machine learning and design of reconfigurable digital colloids
journal, January 2016

  • Long, Andrew W.; Phillips, Carolyn L.; Jankowksi, Eric
  • Soft Matter, Vol. 12, Issue 34
  • DOI: 10.1039/C6SM01156J

Self-Assembly of Structures with Addressable Complexity
journal, February 2016

  • Jacobs, William M.; Frenkel, Daan
  • Journal of the American Chemical Society, Vol. 138, Issue 8
  • DOI: 10.1021/jacs.5b11918

Probabilistic inverse design for self-assembling materials
journal, May 2017

  • Jadrich, R. B.; Lindquist, B. A.; Truskett, T. M.
  • The Journal of Chemical Physics, Vol. 146, Issue 18
  • DOI: 10.1063/1.4981796

Communication: Inverse design for self-assembly via on-the-fly optimization
journal, September 2016

  • Lindquist, Beth A.; Jadrich, Ryan B.; Truskett, Thomas M.
  • The Journal of Chemical Physics, Vol. 145, Issue 11
  • DOI: 10.1063/1.4962754

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

Size-dependent thermodynamic structural selection in colloidal crystallization
journal, September 2019


Natively Unfolded Protein Stability as a Coil-to-Globule Transition in Charge/Hydropathy Space
journal, July 2008

  • Ashbaugh, Henry S.; Hatch, Harold W.
  • Journal of the American Chemical Society, Vol. 130, Issue 29
  • DOI: 10.1021/ja802124e

Revisiting the Frenkel-Ladd method to compute the free energy of solids: The Einstein molecule approach
journal, October 2007

  • Vega, Carlos; Noya, Eva G.
  • The Journal of Chemical Physics, Vol. 127, Issue 15
  • DOI: 10.1063/1.2790426

Directed self-assembly of a colloidal kagome lattice
journal, January 2011

  • Chen, Qian; Bae, Sung Chul; Granick, Steve
  • Nature, Vol. 469, Issue 7330
  • DOI: 10.1038/nature09713

Lock and key colloids
journal, March 2010

  • Sacanna, S.; Irvine, W. T. M.; Chaikin, P. M.
  • Nature, Vol. 464, Issue 7288
  • DOI: 10.1038/nature08906

Extension of the Einstein molecule method for solid free energy calculation to non-periodic and semi-periodic systems
journal, August 2019

  • Pretti, Evan; Mittal, Jeetain
  • The Journal of Chemical Physics, Vol. 151, Issue 5
  • DOI: 10.1063/1.5100960

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

Binary Superlattice Design by Controlling DNA-Mediated Interactions
journal, October 2017


Tools and Functions of Reconfigurable Colloidal Assembly
journal, February 2018


On the relationship between principal fluctuations and stability coefficients in multicomponent systems
journal, February 1986

  • Debenedetti, Pablo G.
  • The Journal of Chemical Physics, Vol. 84, Issue 3
  • DOI: 10.1063/1.450424

Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states
journal, January 2013

  • Jain, Avni; Errington, Jeffrey R.; Truskett, Thomas M.
  • Soft Matter, Vol. 9, Issue 14
  • DOI: 10.1039/c3sm27785b

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


Thermal Regulation of Colloidal Materials Architecture through Orthogonal Functionalizable Patchy Particles
journal, May 2016


Complex Crystals from Size-Disperse Spheres
journal, March 2019


Stability of the Gyroid Phase in Diblock Copolymers at Strong Segregation
journal, April 2006

  • Cochran, Eric W.; Garcia-Cervera, Carlos J.; Fredrickson, Glenn H.
  • Macromolecules, Vol. 39, Issue 7
  • DOI: 10.1021/ma0527707

The role of pressure in inverse design for assembly
journal, September 2019

  • Lindquist, Beth A.; Jadrich, Ryan B.; Howard, Michael P.
  • The Journal of Chemical Physics, Vol. 151, Issue 10
  • DOI: 10.1063/1.5112766