Chromatic patchy particles: Effects of specific interactions on liquid structure
Abstract
We study the structural and thermodynamic properties of patchy particle liquids, with a special focus on the role of “color,” i.e., specific interactions between individual patches. A possible experimental realization of such “chromatic” interactions is by decorating the particle patches with single-stranded DNA linkers. The complementarity of the linkers can promote selective bond formation between predetermined pairs of patches. By using MD simulations, we compare the local connectivity, the bond orientation order, and other structural properties of the aggregates formed by the “colored” and “colorless” systems. The analysis is done for spherical particles with two different patch arrangements (tetrahedral and cubic). It is found that the aggregated (liquid) phase of the “colorless” patchy particles is better connected, denser and typically has stronger local order than the corresponding “colored” one. This, in turn, makes the colored liquid less stable thermodynamically. Specifically, we predict that in a typical case the chromatic interactions should increase the relative stability of the crystalline phase with respect to the disordered liquid, thus expanding its region in the phase diagram.
- Authors:
-
- Max-Planck-Institut fur Intelligente Systeme, Stuttgart (Germany); Univ. Stuttgart, Stuttgart (Germany)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Joint Institute for High Temperatures, Moscow (Russia); Institute for Information Transmission Problems, Moscow (Russia); Moscow Institute of Physics and Technology, Moscow (Russia)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1213391
- Alternate Identifier(s):
- OSTI ID: 1193908
- Report Number(s):
- BNL-108289-2015-JA
Journal ID: ISSN 1539-3755; PLEEE8; KC0403020
- Grant/Contract Number:
- SC00112704; SC0012704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
- Additional Journal Information:
- Journal Volume: 92; Journal Issue: 1; Journal ID: ISSN 1539-3755
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 77 NANOSCIENCE AND NANOTECHNOLOGY
Citation Formats
Vasilyev, Oleg A., Tkachenko, Alexei V., and Klumov, Boris A. Chromatic patchy particles: Effects of specific interactions on liquid structure. United States: N. p., 2015.
Web. doi:10.1103/PhysRevE.92.012308.
Vasilyev, Oleg A., Tkachenko, Alexei V., & Klumov, Boris A. Chromatic patchy particles: Effects of specific interactions on liquid structure. United States. https://doi.org/10.1103/PhysRevE.92.012308
Vasilyev, Oleg A., Tkachenko, Alexei V., and Klumov, Boris A. Mon .
"Chromatic patchy particles: Effects of specific interactions on liquid structure". United States. https://doi.org/10.1103/PhysRevE.92.012308. https://www.osti.gov/servlets/purl/1213391.
@article{osti_1213391,
title = {Chromatic patchy particles: Effects of specific interactions on liquid structure},
author = {Vasilyev, Oleg A. and Tkachenko, Alexei V. and Klumov, Boris A.},
abstractNote = {We study the structural and thermodynamic properties of patchy particle liquids, with a special focus on the role of “color,” i.e., specific interactions between individual patches. A possible experimental realization of such “chromatic” interactions is by decorating the particle patches with single-stranded DNA linkers. The complementarity of the linkers can promote selective bond formation between predetermined pairs of patches. By using MD simulations, we compare the local connectivity, the bond orientation order, and other structural properties of the aggregates formed by the “colored” and “colorless” systems. The analysis is done for spherical particles with two different patch arrangements (tetrahedral and cubic). It is found that the aggregated (liquid) phase of the “colorless” patchy particles is better connected, denser and typically has stronger local order than the corresponding “colored” one. This, in turn, makes the colored liquid less stable thermodynamically. Specifically, we predict that in a typical case the chromatic interactions should increase the relative stability of the crystalline phase with respect to the disordered liquid, thus expanding its region in the phase diagram.},
doi = {10.1103/PhysRevE.92.012308},
journal = {Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics},
number = 1,
volume = 92,
place = {United States},
year = {Mon Jul 13 00:00:00 EDT 2015},
month = {Mon Jul 13 00:00:00 EDT 2015}
}
Web of Science
Works referenced in this record:
Investigating the geometrical structure of disordered sphere packings
journal, August 2004
- Aste, T.; Saadatfar, M.; Sakellariou, A.
- Physica A: Statistical Mechanics and its Applications, Vol. 339, Issue 1-2
Accurate determination of crystal structures based on averaged local bond order parameters
journal, September 2008
- Lechner, Wolfgang; Dellago, Christoph
- The Journal of Chemical Physics, Vol. 129, Issue 11
Molecular dynamics simulations of crystallization of hard spheres
journal, December 2002
- Volkov, Igor; Cieplak, Marek; Koplik, Joel
- Physical Review E, Vol. 66, Issue 6
Real-Space Imaging of Nucleation and Growth in Colloidal Crystallization
journal, April 2001
- Gasser, U.
- Science, Vol. 292, Issue 5515
Structural properties of 3D complex plasmas: experiments versus simulations
journal, November 2009
- Klumov, B.; Huber, P.; Vladimirov, S.
- Plasma Physics and Controlled Fusion, Vol. 51, Issue 12
Fluid–fluid coexistence in colloidal systems with short-ranged strongly directional attraction
journal, June 2003
- Kern, Norbert; Frenkel, Daan
- The Journal of Chemical Physics, Vol. 118, Issue 21
Icosahedral Bond Orientational Order in Supercooled Liquids
journal, November 1981
- Steinhardt, Paul J.; Nelson, David R.; Ronchetti, Marco
- Physical Review Letters, Vol. 47, Issue 18
Structural features of a Lennard-Jones system at melting and crystallization
journal, May 2013
- Klumov, B. A.
- JETP Letters, Vol. 97, Issue 6
Structural properties of 3D complex plasmas under microgravity conditions
journal, October 2010
- Klumov, B.; Joyce, G.; Räth, C.
- EPL (Europhysics Letters), Vol. 92, Issue 1
Colloids with valence and specific directional bonding
journal, October 2012
- Wang, Yufeng; Wang, Yu; Breed, Dana R.
- Nature, Vol. 491, Issue 7422
The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry
journal, June 2010
- Noya, Eva G.; Vega, Carlos; Doye, Jonathan P. K.
- The Journal of Chemical Physics, Vol. 132, Issue 23
Bond-orientational order in liquids and glasses
journal, July 1983
- Steinhardt, Paul J.; Nelson, David R.; Ronchetti, Marco
- Physical Review B, Vol. 28, Issue 2
Dense Packing and Symmetry in Small Clusters of Microspheres
journal, July 2003
- Manoharan, Vinothan N.; Elsesser, Mark T.; Pine, David J.
- Science, Vol. 301, Issue 5632, p. 483-487
DNA-programmed mesoscopic architecture
journal, June 2013
- Halverson, Jonathan D.; Tkachenko, Alexei V.
- Physical Review E, Vol. 87, Issue 6
Ten Years of Plasma Crystals - from ICPIG (Bochum) to ICPIG (Greifswald)
journal, September 2004
- Morfill, G. E.; Ivlev, A. V.; Khrapak, S. A.
- Contributions to Plasma Physics, Vol. 44, Issue 56
Characteristics of crystallization of complex plasmas in narrow channels
journal, November 2008
- Klumov, B. A.; Morfill, G. E.
- Journal of Experimental and Theoretical Physics, Vol. 107, Issue 5
Variations around disordered close packing
journal, June 2005
- Aste, T.
- Journal of Physics: Condensed Matter, Vol. 17, Issue 24
Singularity free algorithm for molecular dynamics simulation of rigid polyatomics
journal, August 1977
- Evans, Denis J.; Murad, Sohail
- Molecular Physics, Vol. 34, Issue 2
Melting of multilayer colloidal crystals confined between two walls
journal, January 2011
- Peng, Y.; Wang, Z. -R.; Alsayed, A. M.
- Physical Review E, Vol. 83, Issue 1
Bicontinuous and mixed gels in binary mixtures of patchy colloidal particles
journal, January 2012
- de las Heras, Daniel; Tavares, José Maria; Telo da Gama, Margarida M.
- Soft Matter, Vol. 8, Issue 6
Understanding tetrahedral liquids through patchy colloids
journal, December 2013
- Saika-Voivod, Ivan; Smallenburg, Frank; Sciortino, Francesco
- The Journal of Chemical Physics, Vol. 139, Issue 23
Structural origin of dynamic heterogeneity in three-dimensional colloidal glass formers and its link to crystal nucleation
journal, May 2010
- Kawasaki, Takeshi; Tanaka, Hajime
- Journal of Physics: Condensed Matter, Vol. 22, Issue 23
Free energy of ionic hydration: Analysis of a thermodynamic integration technique to evaluate free energy differences by molecular dynamics simulations
journal, November 1988
- Straatsma, T. P.; Berendsen, H. J. C.
- The Journal of Chemical Physics, Vol. 89, Issue 9
Crystallization of tetrahedral patchy particles in silico
journal, May 2011
- Romano, Flavio; Sanz, Eduardo; Sciortino, Francesco
- The Journal of Chemical Physics, Vol. 134, Issue 17
Role of the Range in the Fluid−Crystal Coexistence for a Patchy Particle Model
journal, November 2009
- Romano, Flavio; Sanz, Eduardo; Sciortino, Francesco
- The Journal of Physical Chemistry B, Vol. 113, Issue 46
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
On the behavior of indicators of melting: Lennard-Jones system in the vicinity of the phase transition
journal, November 2013
- Klumov, B. A.
- JETP Letters, Vol. 98, Issue 5
Geometric Frustration of Icosahedron in Metallic Glasses
journal, July 2013
- Hirata, A.; Kang, L. J.; Fujita, T.
- Science, Vol. 341, Issue 6144
Numerical calculation of the rate of crystal nucleation in a Lennard‐Jones system at moderate undercooling
journal, June 1996
- Rein ten Wolde, Pieter; Ruiz‐Montero, Maria J.; Frenkel, Daan
- The Journal of Chemical Physics, Vol. 104, Issue 24
Self-Assembly of Patchy Particles into Diamond Structures through Molecular Mimicry
journal, December 2005
- Keys, Aaron S.; Chen, Ting; Glotzer, Sharon C.
- Langmuir, Vol. 21, Issue 25, p. 11547-11551
Computer simulations of dense hard‐sphere systems
journal, November 1996
- Rintoul, M. D.; Torquato, S.
- The Journal of Chemical Physics, Vol. 105, Issue 20
Complex plasma in narrow channels: Impact of confinement on the local order
journal, July 2007
- Klumov, B. A.; Morfill, G. E.
- JETP Letters, Vol. 85, Issue 10
Liquids more stable than crystals in particles with limited valence and flexible bonds
journal, August 2013
- Smallenburg, Frank; Sciortino, Francesco
- Nature Physics, Vol. 9, Issue 9
Structural properties of dense hard sphere packings
journal, May 2011
- Klumov, B. A.; Khrapak, S. A.; Morfill, G. E.
- Physical Review B, Vol. 83, Issue 18
Precursors of order in aggregates of patchy particles
journal, July 2013
- Vasilyev, Oleg A.; Klumov, Boris A.; Tkachenko, Alexei V.
- Physical Review E, Vol. 88, Issue 1
On melting criteria for complex plasma
journal, January 2011
- Klumov, Boris A.
- Physics-Uspekhi, Vol. 53, Issue 10
On the representatation of orientation space
journal, August 1977
- Evans, Denis J.
- Molecular Physics, Vol. 34, Issue 2
Works referencing / citing this record:
Cooling rate dependence of simulated Cu 64.5 Zr 35.5 metallic glass structure
journal, July 2016
- Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.
- The Journal of Chemical Physics, Vol. 145, Issue 3
Polytetrahedral structure and glass-forming ability of simulated Ni–Zr alloys
journal, October 2018
- Klumov, B. A.; Ryltsev, R. E.; Chtchelkatchev, N. M.
- The Journal of Chemical Physics, Vol. 149, Issue 13
Cooling rate dependence of simulated ${\rm Cu_{64.5}Zr_{35.5}}$ metallic glass structure
text, January 2016
- Ryltsev, R. E.; Klumov, B. A.; Chtchelkatchev, N. M.
- arXiv