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}
}
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Works referencing / citing this record:
Cooling rate dependence of simulated Cu 64.5 Zr 35.5 metallic glass structure
journal, July 2016
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Polytetrahedral structure and glass-forming ability of simulated Ni–Zr alloys
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Cooling rate dependence of simulated ${\rm Cu_{64.5}Zr_{35.5}}$ metallic glass structure
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