Evolutionary strategy for inverse charge measurements of dielectric particles
Abstract
Here, we report a computational strategy to obtain the charges of individual dielectric particles from experimental observation of their interactions as a function of time. This strategy uses evolutionary optimization to minimize the difference between trajectories extracted from the experiment and simulated trajectories based on many-particle force fields. The force fields include both Coulombic interactions and dielectric polarization effects that arise due to particle-particle charge mismatch and particle-environment dielectric contrast. The strategy was applied to systems of free falling charged granular particles in a vacuum, where electrostatic interactions are the only driving forces that influence the particles' motion. We show that when the particles' initial positions and velocities are known, the optimizer requires only an initial and final particle configuration of a short trajectory in order to accurately infer the particles' charges; when the initial velocities are unknown and only the initial positions are given, the optimizer can learn from multiple frames along the trajectory to determine the particles' initial velocities and charges. While the results presented here offer a proof-of-concept demonstration of the proposed ideas, the proposed strategy could be extended to more complex systems of electrostatically charged granular matter.
- Authors:
-
- Univ. of Chicago, IL (United States). Inst. for Molecular Engineering
- Univ. of Chicago, IL (United States). James Franck Inst. and Dept. of Physics
- Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Northwestern Univ. and Argonne National Lab. (ANL), Evanston, IL (United States). Northwestern Argonne Inst. of Science and Engineering (NAISE)
- Univ. of Chicago, IL (United States). Inst. for Molecular Engineering; Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States). Midwest Integrated Center for Computational Materials (MICCoM); Univ. of Chicago, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF)
- OSTI Identifier:
- 1460679
- Alternate Identifier(s):
- OSTI ID: 1454651
- Grant/Contract Number:
- AC02-06CH11357; DMR-1420709; DMR-1309611
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Volume: 148; Journal Issue: 23; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 97 MATHEMATICS AND COMPUTING; 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; computer science and technology; dielectrics; vacuum tubes; electrostatics
Citation Formats
Jiang, Xikai, Li, Jiyuan, Lee, Victor, Jaeger, Heinrich M., Heinonen, Olle G., and de Pablo, Juan J. Evolutionary strategy for inverse charge measurements of dielectric particles. United States: N. p., 2018.
Web. doi:10.1063/1.5027435.
Jiang, Xikai, Li, Jiyuan, Lee, Victor, Jaeger, Heinrich M., Heinonen, Olle G., & de Pablo, Juan J. Evolutionary strategy for inverse charge measurements of dielectric particles. United States. https://doi.org/10.1063/1.5027435
Jiang, Xikai, Li, Jiyuan, Lee, Victor, Jaeger, Heinrich M., Heinonen, Olle G., and de Pablo, Juan J. Mon .
"Evolutionary strategy for inverse charge measurements of dielectric particles". United States. https://doi.org/10.1063/1.5027435. https://www.osti.gov/servlets/purl/1460679.
@article{osti_1460679,
title = {Evolutionary strategy for inverse charge measurements of dielectric particles},
author = {Jiang, Xikai and Li, Jiyuan and Lee, Victor and Jaeger, Heinrich M. and Heinonen, Olle G. and de Pablo, Juan J.},
abstractNote = {Here, we report a computational strategy to obtain the charges of individual dielectric particles from experimental observation of their interactions as a function of time. This strategy uses evolutionary optimization to minimize the difference between trajectories extracted from the experiment and simulated trajectories based on many-particle force fields. The force fields include both Coulombic interactions and dielectric polarization effects that arise due to particle-particle charge mismatch and particle-environment dielectric contrast. The strategy was applied to systems of free falling charged granular particles in a vacuum, where electrostatic interactions are the only driving forces that influence the particles' motion. We show that when the particles' initial positions and velocities are known, the optimizer requires only an initial and final particle configuration of a short trajectory in order to accurately infer the particles' charges; when the initial velocities are unknown and only the initial positions are given, the optimizer can learn from multiple frames along the trajectory to determine the particles' initial velocities and charges. While the results presented here offer a proof-of-concept demonstration of the proposed ideas, the proposed strategy could be extended to more complex systems of electrostatically charged granular matter.},
doi = {10.1063/1.5027435},
journal = {Journal of Chemical Physics},
number = 23,
volume = 148,
place = {United States},
year = {Mon Jun 18 00:00:00 EDT 2018},
month = {Mon Jun 18 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Induced-charge electrokinetic phenomena
journal, June 2010
- Bazant, Martin Z.; Squires, Todd M.
- Current Opinion in Colloid & Interface Science, Vol. 15, Issue 3
Adhesion Mechanisms of the Contact Interface of TiO 2 Nanoparticles in Films and Aggregates
journal, July 2012
- Salameh, S.; Schneider, J.; Laube, Jens
- Langmuir, Vol. 28, Issue 31
Completely Derandomized Self-Adaptation in Evolution Strategies
journal, June 2001
- Hansen, Nikolaus; Ostermeier, Andreas
- Evolutionary Computation, Vol. 9, Issue 2
An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries
journal, April 2010
- Tyagi, Sandeep; Süzen, Mehmet; Sega, Marcello
- The Journal of Chemical Physics, Vol. 132, Issue 15
The Mosaic of Surface Charge in Contact Electrification
journal, June 2011
- Baytekin, H. T.; Patashinski, A. Z.; Branicki, M.
- Science, Vol. 333, Issue 6040
Large scale evolutionary optimization using cooperative coevolution
journal, August 2008
- Yang, Zhenyu; Tang, Ke; Yao, Xin
- Information Sciences, Vol. 178, Issue 15
Perspective: Evolutionary design of granular media and block copolymer patterns
journal, April 2016
- Jaeger, Heinrich M.; de Pablo, Juan J.
- APL Materials, Vol. 4, Issue 5
Spreading of triboelectrically charged granular matter
journal, June 2014
- Kumar, Deepak; Sane, A.; Gohil, Smita.
- Scientific Reports, Vol. 4, Issue 1
In situ granular charge measurement by free-fall videography
journal, February 2013
- Waitukaitis, S. R.; Jaeger, H. M.
- Review of Scientific Instruments, Vol. 84, Issue 2
Image method for induced surface charge from many-body system of dielectric spheres
journal, September 2016
- Qin, Jian; de Pablo, Juan J.; Freed, Karl F.
- The Journal of Chemical Physics, Vol. 145, Issue 12
An O ( N ) and parallel approach to integral problems by a kernel-independent fast multipole method: Application to polarization and magnetization of interacting particles
journal, August 2016
- Jiang, Xikai; Li, Jiyuan; Zhao, Xujun
- The Journal of Chemical Physics, Vol. 145, Issue 6
Inverting the design path for self-assembled block copolymers
journal, January 2017
- Gadelrab, Karim R.; Hannon, Adam F.; Ross, Caroline A.
- Molecular Systems Design & Engineering, Vol. 2, Issue 5
A theory of interactions between polarizable dielectric spheres
journal, May 2016
- Qin, Jian; Li, Jiyuan; Lee, Victor
- Journal of Colloid and Interface Science, Vol. 469
Contact Forces between Single Metal Oxide Nanoparticles in Gas-Phase Applications and Processes
journal, March 2017
- Salameh, Samir; van der Veen, Monique A.; Kappl, Michael
- Langmuir, Vol. 33, Issue 10
Why do particle clouds generate electric charges?
journal, April 2010
- Pähtz, T.; Herrmann, H. J.; Shinbrot, T.
- Nature Physics, Vol. 6, Issue 5
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
journal, March 1977
- Ryckaert, Jean-Paul; Ciccotti, Giovanni; Berendsen, Herman J. C.
- Journal of Computational Physics, Vol. 23, Issue 3
Measurement of net electric charge and dipole moment of dust aggregates in a complex plasma
journal, September 2014
- Yousefi, Razieh; Davis, Allen B.; Carmona-Reyes, Jorge
- Physical Review E, Vol. 90, Issue 3
Direct observation of particle interactions and clustering in charged granular streams
journal, July 2015
- Lee, Victor; Waitukaitis, Scott R.; Miskin, Marc Z.
- Nature Physics, Vol. 11, Issue 9
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Charge Segregation Depends on Particle Size in Triboelectrically Charged Granular Materials
journal, January 2009
- Forward, Keith M.; Lacks, Daniel J.; Sankaran, R. Mohan
- Physical Review Letters, Vol. 102, Issue 2
Evolutionary Optimization of Directed Self-Assembly of Triblock Copolymers on Chemically Patterned Substrates
journal, July 2014
- Khaira, Gurdaman S.; Qin, Jian; Garner, Grant P.
- ACS Macro Letters, Vol. 3, Issue 8
Electrostatic interaction in the presence of dielectric interfaces and polarization-induced like-charge attraction
journal, January 2013
- Xu, Zhenli
- Physical Review E, Vol. 87, Issue 1
Evolutionary Optimization in Uncertain Environments—A Survey
journal, June 2005
- Jin, Y.; Branke, J.
- IEEE Transactions on Evolutionary Computation, Vol. 9, Issue 3
Efficient and accurate simulation of dynamic dielectric objects
journal, February 2014
- Barros, Kipton; Sinkovits, Daniel; Luijten, Erik
- The Journal of Chemical Physics, Vol. 140, Issue 6
Nonequilibrium Accumulation of Surface Species and Triboelectric Charging in Single Component Particulate Systems
journal, May 2008
- Lacks, Daniel J.; Duff, Nathan; Kumar, Sanat K.
- Physical Review Letters, Vol. 100, Issue 18
Perturbative many-body expansion for electrostatic energy and field for system of polarizable charged spherical ions in a dielectric medium
journal, July 2014
- Freed, Karl F.
- The Journal of Chemical Physics, Vol. 141, Issue 3
Derivation of Multiple Covarying Material and Process Parameters Using Physics-Based Modeling of X-ray Data
journal, September 2017
- Khaira, Gurdaman; Doxastakis, Manolis; Bowen, Alec
- Macromolecules, Vol. 50, Issue 19
APPLIED PHYSICS: Recent Progress and Continuing Puzzles in Electrostatics
journal, June 2007
- Schein, L. B.
- Science, Vol. 316, Issue 5831
Evolutionary pattern design for copolymer directed self-assembly
journal, January 2013
- Qin, Jian; Khaira, Gurdaman S.; Su, Yongrui
- Soft Matter, Vol. 9, Issue 48
Experiments on Collisional Grain Charging of Micron‐sized Preplanetary Dust
journal, April 2000
- Poppe, Torsten; Blum, Jurgen; Henning, Thomas
- The Astrophysical Journal, Vol. 533, Issue 1
Simulation of Charged Systems in Heterogeneous Dielectric Media via a True Energy Functional
journal, November 2012
- Jadhao, Vikram; Solis, Francisco J.; de la Cruz, Monica Olvera
- Physical Review Letters, Vol. 109, Issue 22
Electric Field and Humidity Trigger Contact Electrification
journal, January 2015
- Zhang, Yanzhen; Pähtz, Thomas; Liu, Yonghong
- Physical Review X, Vol. 5, Issue 1
Parallel O ( N ) Stokes’ solver towards scalable Brownian dynamics of hydrodynamically interacting objects in general geometries
journal, June 2017
- Zhao, Xujun; Li, Jiyuan; Jiang, Xikai
- The Journal of Chemical Physics, Vol. 146, Issue 24
Electrostatic self-assembly of macroscopic crystals using contact electrification
journal, March 2003
- Grzybowski, Bartosz A.; Winkleman, Adam; Wiles, Jason A.
- Nature Materials, Vol. 2, Issue 4
High-speed tracking of rupture and clustering in freely falling granular streams
journal, June 2009
- Royer, John R.; Evans, Daniel J.; Oyarte, Loreto
- Nature, Vol. 459, Issue 7250
Turning statistical physics models into materials design engines
journal, December 2015
- Miskin, Marc Z.; Khaira, Gurdaman; de Pablo, Juan J.
- Proceedings of the National Academy of Sciences, Vol. 113, Issue 1
Works referencing / citing this record:
Long-standing and unresolved issues in triboelectric charging
journal, July 2019
- Lacks, Daniel J.; Shinbrot, Troy
- Nature Reviews Chemistry, Vol. 3, Issue 8
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